*HEADER    HORMONE                                 30-NOV-94   1MHI    
*COMPND    MOL_ID: 1;                                                  
*COMPND   2 MOLECULE: INSULIN;                                         
*COMPND   3 CHAIN: A, B;                                               
*COMPND   4 ENGINEERED: YES                                            
*COMPND   5 MUTATION: S(B 9)D;                                         
*SOURCE    MOL_ID: 1;                                                  
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                    
*SOURCE   4 EXPRESSION_SYSTEM: SACCHAROMYCES CEREVISIAE                
*EXPDTA    NMR, 20 STRUCTURES                                          
*AUTHOR    A.M.M.JORGENSEN,S.M.KRISTENSEN,J.J.LED,P.BALSCHMIDT         
*REVDAT   1   15-OCT-95 1MHI    0                                      


REMARK   constraints used in the structure calculation of the B9(Asp)
REMARK   mutant of human insulin. 
noe
assign (resid  2 AND name HA   AND segi "acha" )(resid  2 AND name HG*  AND segi "acha" )  1.35 -0.65  2.50
assign (resid  2 AND name HA   AND segi "acha" )(resid  2 AND name HD*  AND segi "acha" )  3.38  1.38  2.50
assign (resid  2 AND name HG*  AND segi "acha" )(resid  2 AND name HD*  AND segi "acha" )  4.05  2.05  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 HD*  AND segi "acha" )(resid  3 AND name HG*  AND segi "acha" )  5.84  3.84  2.50
assign (resid  2 AND name HD*  AND segi "acha" )(resid 12 AND name HB   AND segi "bcha" )  3.53  1.53  2.50
assign (resid  2 AND name HD*  AND segi "acha" )(resid 26 AND name HD*  AND segi "bcha" )  5.66  3.66  2.50
assign (resid  2 AND name HD*  AND segi "acha" )(resid 26 AND name HE*  AND segi "bcha" )  5.66  3.66  2.50
assign (resid  2 AND name HD*  AND segi "acha" )(resid 20 AND name HN   AND segi "acha" )  4.53  2.53  2.50
assign (resid  2 AND name HD*  AND segi "acha" )(resid 19 AND name HD*  AND segi "acha" )  6.66  4.66  2.50
assign (resid  2 AND name HD*  AND segi "acha" )(resid 15 AND name HN   AND segi "bcha" )  3.53  1.53  2.50
assign (resid  2 AND name HG*  AND segi "acha" )(resid  3 AND name HN   AND segi "acha" )  4.81  2.81  2.50
assign (resid  2 AND name HG*  AND segi "acha" )(resid 20 AND name HN   AND segi "acha" )  4.81  2.81  2.50
assign (resid  2 AND name HG*  AND segi "acha" )(resid 19 AND name HN   AND segi "acha" )  4.81  2.81  2.50
assign (resid  2 AND name HG*  AND segi "acha" )(resid 11 AND name HA   AND segi "bcha" )  4.81  2.81  2.50
assign (resid  2 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 HN   AND segi "acha" )(resid  3 AND name HA   AND segi "acha" )  0.70 -1.30  2.50
assign (resid  3 AND name HA   AND segi "acha" )(resid  3 AND name HG*  AND segi "acha" )  1.46 -0.54  2.50
assign (resid  3 AND name HG*  AND segi "acha" )(resid  3 AND name HB   AND segi "acha" )  1.46 -0.54  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" )  4.81  2.81  2.50
assign (resid  3 AND name HG*  AND segi "acha" )(resid 28 AND name HA   AND segi "bcha" )  4.81  2.81  2.50
assign (resid  3 AND name HG*  AND segi "acha" )(resid 26 AND name HE*  AND segi "bcha" )  6.94  4.94  2.50
assign (resid  3 AND name HG*  AND segi "acha" )(resid  4 AND name HN   AND segi "acha" )  4.81  2.81  2.50
assign (resid  3 AND name HG*  AND segi "acha" )(resid  4 AND name HN   AND segi "acha" )  4.81  2.81  2.50
assign (resid  3 AND name HG*  AND segi "acha" )(resid  7 AND name HN   AND segi "acha" )  4.81  2.81  2.50
assign (resid  3 AND name HG*  AND segi "acha" )(resid  7 AND name HB*  AND segi "acha" )  5.69  3.69  2.50
assign (resid  3 AND name HG*  AND segi "acha" )(resid  7 AND name HN   AND segi "acha" )  4.81  2.81  2.50
assign (resid  3 AND name HG*  AND segi "acha" )(resid 19 AND name HB*  AND segi "acha" )  5.69  3.69  2.50
assign (resid  3 AND name HA   AND segi "acha" )(resid  7 AND name HB*  AND segi "acha" )  3.38  1.38  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 HA   AND segi "acha" )(resid  7 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid  4 AND name HN   AND segi "acha" )(resid  4 AND name HA   AND segi "acha" )  0.70 -1.30  2.50
assign (resid  4 AND name HA   AND segi "acha" )(resid  4 AND name HB*  AND segi "acha" )  1.91 -0.09  2.50
assign (resid  4 AND name HA   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  8 AND name HB   AND segi "acha" )  2.50  0.50  2.50
assign (resid  4 AND name HA   AND segi "acha" )(resid  8 AND name HA   AND segi "acha" )  2.50  0.50  2.50
assign (resid  4 AND name HG*  AND segi "acha" )(resid  8 AND name HG*  AND segi "acha" )  4.41  2.41  2.50
assign (resid  4 AND name HA   AND segi "acha" )(resid  8 AND name HG*  AND segi "acha" )  3.53  1.53  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  8 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid  5 AND name HN   AND segi "acha" )(resid  5 AND name HB*  AND segi "acha" )  1.32 -0.68  2.50
assign (resid  5 AND name HA   AND segi "acha" )(resid  5 AND name HB*  AND segi "acha" )  1.91 -0.09  2.50
assign (resid  5 AND name HA   AND segi "acha" )(resid  6 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid  5 AND name HB*  AND segi "acha" )(resid  6 AND name HN   AND segi "acha" )  1.56 -0.44  2.50
assign (resid  5 AND name HG*  AND segi "acha" )(resid  6 AND name HN   AND segi "acha" )  3.38  1.38  2.50
assign (resid  5 AND name HG*  AND segi "acha" )(resid 19 AND name HE*  AND segi "acha" )  6.51  4.51  2.50
assign (resid  5 AND name HB*  AND segi "acha" )(resid 19 AND name HE*  AND segi "acha" )  6.51  4.51  2.50
assign (resid  5 AND name HA   AND segi "acha" )(resid 10 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid  6 AND name HN   AND segi "acha" )(resid  6 AND name HB*  AND segi "acha" )  1.32 -0.68  2.50
assign (resid  6 AND name HA   AND segi "acha" )(resid  5 AND name HA   AND segi "bcha" )  2.50  0.50  2.50
assign (resid  7 AND name N    AND segi "acha" )(resid  7 AND name HB*  AND segi "acha" )  1.32 -0.68  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" )  1.50 -0.50  2.50
assign (resid  7 AND name HN   AND segi "acha" )(resid  8 AND name HN   AND segi "acha" )  0.20 -1.80  2.50
assign (resid  7 AND name HA   AND segi "acha" )(resid  7 AND name HA   AND segi "bcha" )  2.50  0.50  2.50
assign (resid  7 AND name HA   AND segi "acha" )(resid  6 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid  7 AND name HB*  AND segi "acha" )(resid  7 AND name HA   AND segi "bcha" )  3.38  1.38  2.50
assign (resid  7 AND name HA   AND segi "acha" )(resid  5 AND name HB*  AND segi "bcha" )  3.38  1.38  2.50
assign (resid  7 AND name HN   AND segi "acha" )(resid  8 AND name HG*  AND segi "acha" )  3.53  1.53  2.50
assign (resid  8 AND name HN   AND segi "acha" )(resid  8 AND name HA   AND segi "acha" )  1.70 -0.30  2.50
assign (resid  8 AND name HA   AND segi "acha" )(resid  8 AND name HB   AND segi "acha" )  1.70 -0.30  2.50
assign (resid  8 AND name HA   AND segi "acha" )(resid  8 AND name HG*  AND segi "acha" )  1.38 -0.62  2.50
assign (resid  8 AND name HB   AND segi "acha" )(resid  8 AND name HG*  AND segi "acha" )  0.88 -1.12  2.50
assign (resid  8 AND name HN   AND segi "acha" )(resid  9 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid  8 AND name HN   AND segi "acha" )(resid 10 AND name HG*  AND segi "acha" )  5.38  3.38  2.50
assign (resid  8 AND name HN   AND segi "acha" )(resid 10 AND name HG*  AND segi "acha" )  5.53  3.53  2.50
assign (resid  9 AND name HB*  AND segi "acha" )(resid 10 AND name HN   AND segi "acha" )  1.56 -0.44  2.50
assign (resid  9 AND name HA   AND segi "acha" )(resid 10 AND name HN   AND segi "acha" )  1.50 -0.50  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 10 AND name HN   AND segi "acha" )(resid 10 AND name HA   AND segi "acha" )  1.70 -0.30  2.50
assign (resid 10 AND name HN   AND segi "acha" )(resid 10 AND name HB   AND segi "acha" )  1.70 -0.30  2.50
assign (resid 10 AND name HA   AND segi "acha" )(resid 10 AND name HB   AND segi "acha" )  1.70 -0.30  2.50
assign (resid 10 AND name HA   AND segi "acha" )(resid 10 AND name HD*  AND segi "acha" )  2.68  0.68  2.50
assign (resid 10 AND name HA   AND segi "acha" )(resid 10 AND name HG*  AND segi "acha" )  2.39  0.39  2.50
assign (resid 10 AND name HA   AND segi "acha" )(resid 10 AND name HG*  AND segi "acha" )  2.35  0.35  2.50
assign (resid 10 AND name HD*  AND segi "acha" )(resid 10 AND name HG*  AND segi "acha" )  1.85 -0.15  2.50
assign (resid 10 AND name HB   AND segi "acha" )(resid 10 AND name HG*  AND segi "acha" )  1.35 -0.65  2.50
assign (resid 10 AND name HD*  AND segi "acha" )(resid 10 AND name HG*  AND segi "acha" )  0.70 -1.30  2.50
assign (resid 10 AND name HB   AND segi "acha" )(resid 10 AND name HG*  AND segi "acha" )  1.68 -0.32  2.50
assign (resid 10 AND name HG*  AND segi "acha" )(resid 10 AND name HN   AND segi "acha" )  1.68 -0.32  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 HN   AND segi "acha" )(resid 11 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 10 AND name HG*  AND segi "acha" )(resid  4 AND name HA   AND segi "bcha" )  3.38  1.38  2.50
assign (resid 10 AND name HG*  AND segi "acha" )(resid  4 AND name HB*  AND segi "bcha" )  3.38  1.38  2.50
assign (resid 10 AND name HG*  AND segi "acha" )(resid  3 AND name HA   AND segi "bcha" )  5.53  3.53  2.50
assign (resid 10 AND name HG*  AND segi "acha" )(resid  3 AND name HB*  AND segi "bcha" )  6.41  4.41  2.50
assign (resid 10 AND name HG*  AND segi "acha" )(resid  3 AND name HB*  AND segi "bcha" )  6.26  4.26  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 HG*  AND segi "acha" )(resid  5 AND name HE1  AND segi "bcha" )  3.38  1.38  2.50
assign (resid 10 AND name HG*  AND segi "acha" )(resid  5 AND name HE1  AND segi "bcha" )  2.53  0.53  2.50
assign (resid 10 AND name HD*  AND segi "acha" )(resid  5 AND name HE1  AND segi "bcha" )  3.53  1.53  2.50
assign (resid 10 AND name HG*  AND segi "acha" )(resid  5 AND name HD1  AND segi "bcha" )  3.38  1.38  2.50
assign (resid 10 AND name HG*  AND segi "acha" )(resid  5 AND name HD1  AND segi "bcha" )  3.53  1.53  2.50
assign (resid 10 AND name HG*  AND segi "acha" )(resid 12 AND name HN   AND segi "acha" )  4.56  2.56  2.50
assign (resid 10 AND name HG*  AND segi "acha" )(resid 12 AND name HN   AND segi "acha" )  3.53  1.53  2.50
assign (resid 10 AND name HG*  AND segi "acha" )(resid  4 AND name HN   AND segi "bcha" )  3.53  1.53  2.50
assign (resid 10 AND name HN   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  4 AND name NE2  AND segi "bcha" )  3.53  1.53  2.50
assign (resid 10 AND name HG*  AND segi "acha" )(resid  4 AND name NE2  AND segi "bcha" )  3.38  1.38  2.50
assign (resid 11 AND name HN   AND segi "acha" )(resid 12 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 11 AND name HB*  AND segi "acha" )(resid 12 AND name HN   AND segi "acha" )  2.36  0.36  2.50
assign (resid 12 AND name HN   AND segi "acha" )(resid 12 AND name HA   AND segi "acha" )  1.70 -0.30  2.50
assign (resid 12 AND name HA   AND segi "acha" )(resid 12 AND name HB*  AND segi "acha" )  1.91 -0.09  2.50
assign (resid 12 AND name HA   AND segi "acha" )(resid 13 AND name HN   AND segi "acha" )  0.20 -1.80  2.50
assign (resid 12 AND name HB*  AND segi "acha" )(resid 13 AND name HN   AND segi "acha" )  1.56 -0.44  2.50
assign (resid 12 AND name HN   AND segi "acha" )(resid 15 AND name HB*  AND segi "acha" )  3.38  1.38  2.50
assign (resid 12 AND name HA   AND segi "acha" )(resid 15 AND name HN   AND segi "acha" )  2.50  0.50  2.50
assign (resid 12 AND name HB*  AND segi "acha" )(resid 15 AND name HN   AND segi "acha" )  3.38  1.38  2.50
assign (resid 12 AND name HA   AND segi "acha" )(resid 13 AND name HB*  AND segi "acha" )  3.38  1.38  2.50
assign (resid 12 AND name HN   AND segi "acha" )(resid 15 AND name HN   AND segi "acha" )  2.50  0.50  2.50
assign (resid 12 AND name HN   AND segi "acha" )(resid 14 AND name HE*  AND segi "acha" )  4.81  2.81  2.50
assign (resid 12 AND name HN   AND segi "acha" )(resid 14 AND name HD*  AND segi "acha" )  4.81  2.81  2.50
assign (resid 12 AND name HA   AND segi "acha" )(resid 15 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 13 AND name HN   AND segi "acha" )(resid 13 AND name HA   AND segi "acha" )  0.70 -1.30  2.50
assign (resid 13 AND name HA   AND segi "acha" )(resid 13 AND name HB*  AND segi "acha" )  0.91 -1.09  2.50
assign (resid 13 AND name HA   AND segi "acha" )(resid 13 AND name HD*  AND segi "acha" )  2.38  0.38  2.50
assign (resid 13 AND name HG   AND segi "acha" )(resid 13 AND name HD*  AND segi "acha" )  1.88 -0.12  2.50
assign (resid 13 AND name HN   AND segi "acha" )(resid 14 AND name HN   AND segi "acha" )  0.20 -1.80  2.50
assign (resid 13 AND name HA   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 HN   AND segi "acha" )  2.36  0.36  2.50
assign (resid 13 AND name HA   AND segi "acha" )(resid 16 AND name HB*  AND segi "acha" )  2.38  0.38  2.50
assign (resid 13 AND name HD*  AND segi "acha" )(resid 18 AND name HG*  AND segi "bcha" )  7.12  5.12  2.50
assign (resid 13 AND name HD*  AND segi "acha" )(resid 18 AND name HA   AND segi "bcha" )  4.81  2.81  2.50
assign (resid 13 AND name HD*  AND segi "acha" )(resid 18 AND name HN   AND segi "bcha" )  4.81  2.81  2.50
assign (resid 13 AND name HD*  AND segi "acha" )(resid  1 AND name HD*  AND segi "bcha" )  6.94  4.94  2.50
assign (resid 13 AND name HD*  AND segi "acha" )(resid  1 AND name HE*  AND segi "bcha" )  6.94  4.94  2.50
assign (resid 13 AND name HD*  AND segi "acha" )(resid  1 AND name HB*  AND segi "bcha" )  5.69  3.69  2.50
assign (resid 13 AND name HA   AND segi "acha" )(resid 18 AND name HG*  AND segi "bcha" )  4.81  2.81  2.50
assign (resid 13 AND name HD*  AND segi "acha" )(resid 14 AND name HE*  AND segi "acha" )  4.94  2.94  2.50
assign (resid 13 AND name HG   AND segi "acha" )(resid 14 AND name HA   AND segi "acha" )  2.50  0.50  2.50
assign (resid 13 AND name HD*  AND segi "acha" )(resid 14 AND name HN   AND segi "acha" )  4.81  2.81  2.50
assign (resid 13 AND name HD*  AND segi "acha" )(resid 17 AND name HG*  AND segi "acha" )  5.69  3.69  2.50
assign (resid 13 AND name HD*  AND segi "acha" )(resid 17 AND name HN   AND segi "acha" )  4.81  2.81  2.50
assign (resid 13 AND name HA   AND segi "acha" )(resid 18 AND name HG*  AND segi "bcha" )  4.81  2.81  2.50
assign (resid 13 AND name HD*  AND segi "acha" )(resid 18 AND name HB   AND segi "bcha" )  4.81  2.81  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 17 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 14 AND name HN   AND segi "acha" )(resid 14 AND name HA   AND segi "acha" )  0.70 -1.30  2.50
assign (resid 14 AND name HN   AND segi "acha" )(resid 14 AND name HB*  AND segi "acha" )  1.32 -0.68  2.50
assign (resid 14 AND name HA   AND segi "acha" )(resid 14 AND name HB*  AND segi "acha" )  0.91 -1.09  2.50
assign (resid 14 AND name HA   AND segi "acha" )(resid 14 AND name HD*  AND segi "acha" )  1.68 -0.32  2.50
assign (resid 14 AND name HB*  AND segi "acha" )(resid 15 AND name HA   AND segi "acha" )  3.38  1.38  2.50
assign (resid 14 AND name HE*  AND segi "acha" )(resid 15 AND name HA   AND segi "acha" )  4.63  2.63  2.50
assign (resid 14 AND name HD*  AND segi "acha" )(resid 15 AND name HG*  AND segi "acha" )  5.51  3.51  2.50
assign (resid 14 AND name HB*  AND segi "acha" )(resid 15 AND name HB*  AND segi "acha" )  4.26  2.26  2.50
assign (resid 14 AND name HB*  AND segi "acha" )(resid 15 AND name HA   AND segi "acha" )  3.38  1.38  2.50
assign (resid 14 AND name HB*  AND segi "acha" )(resid 18 AND name HB*  AND segi "acha" )  4.26  2.26  2.50
assign (resid 14 AND name HA   AND segi "acha" )(resid 17 AND name HB*  AND segi "acha" )  2.38  0.38  2.50
assign (resid 15 AND name HN   AND segi "acha" )(resid 15 AND name HA   AND segi "acha" )  1.70 -0.30  2.50
assign (resid 15 AND name HN   AND segi "acha" )(resid 15 AND name HB*  AND segi "acha" )  1.32 -0.68  2.50
assign (resid 15 AND name HA   AND segi "acha" )(resid 15 AND name HB*  AND segi "acha" )  0.41 -1.59  2.50
assign (resid 15 AND name HA   AND segi "acha" )(resid 16 AND name HN   AND segi "acha" )  0.70 -1.30  2.50
assign (resid 15 AND name HB*  AND segi "acha" )(resid 16 AND name HN   AND segi "acha" )  2.38  0.38  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 HG*  AND segi "acha" )(resid 16 AND name HD*  AND segi "acha" )  5.69  3.69  2.50
assign (resid 15 AND name HB*  AND segi "acha" )(resid 18 AND name OD1  AND segi "acha" )  3.38  1.38  2.50
assign (resid 15 AND name HA   AND segi "acha" )(resid 18 AND name HB*  AND segi "acha" )  3.38  1.38  2.50
assign (resid 15 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 16 AND name HA   AND segi "acha" )  0.20 -1.80  2.50
assign (resid 16 AND name HN   AND segi "acha" )(resid 16 AND name HB*  AND segi "acha" )  2.32  0.32  2.50
assign (resid 16 AND name HA   AND segi "acha" )(resid 16 AND name HB*  AND segi "acha" )  0.41 -1.59  2.50
assign (resid 16 AND name HA   AND segi "acha" )(resid 16 AND name HD*  AND segi "acha" )  3.38  1.38  2.50
assign (resid 16 AND name HN   AND segi "acha" )(resid 16 AND name HG   AND segi "acha" )  1.70 -0.30  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" )  2.38  0.38  2.50
assign (resid 16 AND name HD*  AND segi "acha" )(resid 14 AND name HB*  AND segi "bcha" )  5.84  3.84  2.50
assign (resid 16 AND name HA   AND segi "acha" )(resid 15 AND name HD*  AND segi "bcha" )  4.81  2.81  2.50
assign (resid 16 AND name HD*  AND segi "acha" )(resid  7 AND name HB*  AND segi "acha" )  5.69  3.69  2.50
assign (resid 16 AND name HB*  AND segi "acha" )(resid 18 AND name HA   AND segi "bcha" )  3.38  1.38  2.50
assign (resid 16 AND name HB*  AND segi "acha" )(resid 19 AND name HE*  AND segi "acha" )  6.51  4.51  2.50
assign (resid 16 AND name HG   AND segi "acha" )(resid 15 AND name HD*  AND segi "bcha" )  4.81  2.81  2.50
assign (resid 16 AND name HA   AND segi "acha" )(resid 15 AND name HD*  AND segi "bcha" )  6.81  4.81  2.50
assign (resid 16 AND name HD*  AND segi "acha" )(resid 17 AND name HG*  AND segi "acha" )  5.69  3.69  2.50
assign (resid 16 AND name HD*  AND segi "acha" )(resid 17 AND name HN   AND segi "acha" )  4.81  2.81  2.50
assign (resid 16 AND name HD*  AND segi "acha" )(resid 17 AND name HA   AND segi "acha" )  4.81  2.81  2.50
assign (resid 16 AND name HD*  AND segi "acha" )(resid 18 AND name HG*  AND segi "bcha" )  7.12  5.12  2.50
assign (resid 16 AND name HG   AND segi "acha" )(resid 17 AND name HN   AND segi "acha" )  2.50  0.50  2.50
assign (resid 16 AND name HA   AND segi "acha" )(resid 19 AND name HB*  AND segi "acha" )  2.38  0.38  2.50
assign (resid 16 AND name HA   AND segi "acha" )(resid 11 AND name HD*  AND segi "bcha" )  4.81  2.81  2.50
assign (resid 16 AND name HA   AND segi "acha" )(resid 19 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 17 AND name HN   AND segi "acha" )(resid 17 AND name HB*  AND segi "acha" )  0.82 -1.18  2.50
assign (resid 17 AND name HN   AND segi "acha" )(resid 17 AND name HA   AND segi "acha" )  1.70 -0.30  2.50
assign (resid 17 AND name HA   AND segi "acha" )(resid 17 AND name HB*  AND segi "acha" )  1.91 -0.09  2.50
assign (resid 17 AND name HN   AND segi "acha" )(resid 17 AND name HG*  AND segi "acha" )  2.57  0.57  2.50
assign (resid 17 AND name HB*  AND segi "acha" )(resid 18 AND name HN   AND segi "acha" )  2.38  0.38  2.50
assign (resid 17 AND name HN   AND segi "acha" )(resid 18 AND name HN   AND segi "acha" )  1.34 -0.66  2.50
assign (resid 17 AND name HN   AND segi "acha" )(resid 18 AND name HB*  AND segi "acha" )  3.38  1.38  2.50
assign (resid 17 AND name HA   AND segi "acha" )(resid 18 AND name HB*  AND segi "acha" )  3.38  1.38  2.50
assign (resid 17 AND name HG*  AND segi "acha" )(resid 19 AND name HE*  AND segi "acha" )  5.51  3.51  2.50
assign (resid 17 AND name HG*  AND segi "acha" )(resid 14 AND name HD*  AND segi "acha" )  5.51  3.51  2.50
assign (resid 17 AND name HG*  AND segi "acha" )(resid 18 AND name HG*  AND segi "bcha" )  5.69  3.69  2.50
assign (resid 17 AND name HN   AND segi "acha" )(resid 18 AND name HG*  AND segi "bcha" )  4.81  2.81  2.50
assign (resid 17 AND name HA   AND segi "acha" )(resid 20 AND name HB*  AND segi "acha" )  3.38  1.38  2.50
assign (resid 17 AND name HA   AND segi "acha" )(resid 19 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 18 AND name HN   AND segi "acha" )(resid 18 AND name HA   AND segi "acha" )  0.70 -1.30  2.50
assign (resid 18 AND name HN   AND segi "acha" )(resid 18 AND name HB*  AND segi "acha" )  0.82 -1.18  2.50
assign (resid 18 AND name HA   AND segi "acha" )(resid 18 AND name HB*  AND segi "acha" )  1.91 -0.09  2.50
assign (resid 18 AND name HA   AND segi "acha" )(resid 19 AND name HN   AND segi "acha" )  2.10  0.10  2.50
assign (resid 18 AND name HB*  AND segi "acha" )(resid 19 AND name HN   AND segi "acha" )  2.36  0.36  2.50
assign (resid 18 AND name HN   AND segi "acha" )(resid 19 AND name HN   AND segi "acha" )  2.10  0.10  2.50
assign (resid 18 AND name HB*  AND segi "acha" )(resid 19 AND name HB*  AND segi "acha" )  4.26  2.26  2.50
assign (resid 18 AND name HB*  AND segi "acha" )(resid 20 AND name HN   AND segi "acha" )  3.38  1.38  2.50
assign (resid 19 AND name HN   AND segi "acha" )(resid 19 AND name HA   AND segi "acha" )  1.70 -0.30  2.50
assign (resid 19 AND name HN   AND segi "acha" )(resid 19 AND name HB*  AND segi "acha" )  1.32 -0.68  2.50
assign (resid 19 AND name HA   AND segi "acha" )(resid 19 AND name HB*  AND segi "acha" )  1.91 -0.09  2.50
assign (resid 19 AND name HN   AND segi "acha" )(resid 20 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 19 AND name HA   AND segi "acha" )(resid 20 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 19 AND name HB*  AND segi "acha" )(resid 15 AND name HD*  AND segi "bcha" )  5.69  3.69  2.50
assign (resid 19 AND name HD*  AND segi "acha" )(resid 15 AND name HG   AND segi "bcha" )  4.81  2.81  2.50
assign (resid 19 AND name HD*  AND segi "acha" )(resid 15 AND name HD*  AND segi "bcha" )  7.14  5.14  2.50
assign (resid 19 AND name HE*  AND segi "acha" )(resid 20 AND name HB*  AND segi "acha" )  5.61  3.61  2.50
assign (resid 19 AND name HB*  AND segi "acha" )(resid 15 AND name HD*  AND segi "bcha" )  5.51  3.51  2.50
assign (resid 20 AND name HN   AND segi "acha" )(resid 20 AND name HB*  AND segi "acha" )  1.32 -0.68  2.50
assign (resid 20 AND name HA   AND segi "acha" )(resid 21 AND name HN   AND segi "acha" )  0.70 -1.30  2.50
assign (resid 20 AND name HN   AND segi "acha" )(resid 21 AND name HN   AND segi "acha" )  1.50 -0.50  2.50
assign (resid 20 AND name HB*  AND segi "acha" )(resid 21 AND name HN   AND segi "acha" )  2.58  0.58  2.50
assign (resid 20 AND name HN   AND segi "acha" )(resid 25 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 20 AND name HB*  AND segi "acha" )(resid 15 AND name HN   AND segi "bcha" )  3.38  1.38  2.50
assign (resid 20 AND name HA   AND segi "acha" )(resid 19 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 21 AND name HN   AND segi "acha" )(resid 21 AND name HA   AND segi "acha" )  1.70 -0.30  2.50
assign (resid 21 AND name HN   AND segi "acha" )(resid 21 AND name HB*  AND segi "acha" )  2.35  0.35  2.50
assign (resid 21 AND name HN   AND segi "acha" )(resid 21 AND name CG   AND segi "acha" )  0.70 -1.30  2.50
assign (resid 21 AND name HB*  AND segi "acha" )(resid 21 AND name OD1  AND segi "acha" )  2.58  0.58  2.50
assign (resid 21 AND name HN   AND segi "acha" )(resid 24 AND name HA   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 21 AND name HN   AND segi "acha" )(resid 24 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 21 AND name OD1  AND segi "acha" )(resid 22 AND name HN   AND segi "bcha" )  5.50  3.50  2.50
assign (resid 21 AND name HN   AND segi "acha" )(resid 25 AND name HN   AND segi "bcha" )  4.50  2.50  2.50
assign (resid 21 AND name HN   AND segi "acha" )(resid 22 AND name HB*  AND segi "bcha" )  3.38  1.38  2.50
assign (resid 21 AND name OD1  AND segi "acha" )(resid 25 AND name HE*  AND segi "bcha" )  4.63  2.63  2.50
assign (resid  1 AND name HB*  AND segi "bcha" )(resid  1 AND name HD*  AND segi "bcha" )  3.21  1.21  2.50
assign (resid  1 AND name HA   AND segi "bcha" )(resid  2 AND name HN   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid  1 AND name HB*  AND segi "bcha" )(resid  2 AND name HN   AND segi "bcha" )  2.36  0.36  2.50
assign (resid  1 AND name HA   AND segi "bcha" )(resid  2 AND name HG*  AND segi "bcha" )  4.81  2.81  2.50
assign (resid  1 AND name HD*  AND segi "bcha" )(resid  2 AND name HG*  AND segi "bcha" )  6.94  4.94  2.50
assign (resid  1 AND name HE*  AND segi "bcha" )(resid  2 AND name HG*  AND segi "bcha" )  6.94  4.94  2.50
assign (resid  1 AND name HD*  AND segi "bcha" )(resid  2 AND name HN   AND segi "bcha" )  4.81  2.81  2.50
assign (resid  2 AND name HN   AND segi "bcha" )(resid  2 AND name HA   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid  2 AND name HA   AND segi "bcha" )(resid  2 AND name HB   AND segi "bcha" )  0.70 -1.30  2.50
assign (resid  2 AND name HA   AND segi "bcha" )(resid  2 AND name HG*  AND segi "bcha" )  0.70 -1.30  2.50
assign (resid  2 AND name HG*  AND segi "bcha" )(resid  2 AND name HB   AND segi "bcha" )  3.01  1.01  2.50
assign (resid  2 AND name HA   AND segi "bcha" )(resid  3 AND name HN   AND segi "bcha" )  0.20 -1.80  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 HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid  2 AND name HA   AND segi "bcha" )(resid  3 AND name HB*  AND segi "bcha" )  3.38  1.38  2.50
assign (resid  2 AND name HG*  AND segi "bcha" )(resid  4 AND name HN   AND segi "bcha" )  4.81  2.81  2.50
assign (resid  2 AND name HG*  AND segi "bcha" )(resid  3 AND name HB*  AND segi "bcha" )  5.69  3.69  2.50
assign (resid  2 AND name HN   AND segi "bcha" )(resid  3 AND name ND2  AND segi "bcha" )  2.50  0.50  2.50
assign (resid  2 AND name HB   AND segi "bcha" )(resid  4 AND name NE2  AND segi "bcha" )  2.50  0.50  2.50
assign (resid  3 AND name HA   AND segi "bcha" )(resid  4 AND name HN   AND segi "bcha" )  0.70 -1.30  2.50
assign (resid  3 AND name HB*  AND segi "bcha" )(resid  4 AND name HN   AND segi "bcha" )  2.36  0.36  2.50
assign (resid  3 AND name HB*  AND segi "bcha" )(resid  6 AND name HD*  AND segi "bcha" )  5.69  3.69  2.50
assign (resid  4 AND name HN   AND segi "bcha" )(resid  4 AND name HA   AND segi "bcha" )  1.70 -0.30  2.50
assign (resid  4 AND name HA   AND segi "bcha" )(resid  4 AND name HB*  AND segi "bcha" )  0.91 -1.09  2.50
assign (resid  4 AND name HN   AND segi "bcha" )(resid  4 AND name HB*  AND segi "bcha" )  1.32 -0.68  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" )  1.50 -0.50  2.50
assign (resid  4 AND name HB*  AND segi "bcha" )(resid  6 AND name HD*  AND segi "bcha" )  5.69  3.69  2.50
assign (resid  4 AND name HG*  AND segi "bcha" )(resid  5 AND name HN   AND segi "bcha" )  3.38  1.38  2.50
assign (resid  4 AND name HB*  AND segi "bcha" )(resid  6 AND name HB*  AND segi "bcha" )  6.26  4.26  2.50
assign (resid  4 AND name HG*  AND segi "bcha" )(resid  6 AND name HD*  AND segi "bcha" )  7.49  5.49  2.50
assign (resid  5 AND name HN   AND segi "bcha" )(resid  5 AND name HA   AND segi "bcha" )  1.70 -0.30  2.50
assign (resid  5 AND name HA   AND segi "bcha" )(resid  5 AND name HB*  AND segi "bcha" )  1.91 -0.09  2.50
assign (resid  5 AND name HB*  AND segi "bcha" )(resid  5 AND name HN   AND segi "bcha" )  2.32  0.32  2.50
assign (resid  5 AND name HA   AND segi "bcha" )(resid  6 AND name HN   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid  5 AND name HB*  AND segi "bcha" )(resid  6 AND name HN   AND segi "bcha" )  2.36  0.36  2.50
assign (resid  5 AND name HN   AND segi "bcha" )(resid  6 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid  6 AND name HN   AND segi "bcha" )(resid  6 AND name HA   AND segi "bcha" )  0.70 -1.30  2.50
assign (resid  6 AND name HA   AND segi "bcha" )(resid  6 AND name HB*  AND segi "bcha" )  1.91 -0.09  2.50
assign (resid  6 AND name HA   AND segi "bcha" )(resid  6 AND name HD*  AND segi "bcha" )  3.01  1.01  2.50
assign (resid  6 AND name HB*  AND segi "bcha" )(resid  6 AND name HD*  AND segi "bcha" )  3.89  1.89  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 HB*  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 10 AND name HB*  AND segi "bcha" )  5.69  3.69  2.50
assign (resid  6 AND name HD*  AND segi "bcha" )(resid 10 AND name HA   AND segi "bcha" )  6.81  4.81  2.50
assign (resid  6 AND name HB*  AND segi "bcha" )(resid 11 AND name HA   AND segi "bcha" )  3.38  1.38  2.50
assign (resid  6 AND name HD*  AND segi "bcha" )(resid 11 AND name HA   AND segi "bcha" )  4.81  2.81  2.50
assign (resid  6 AND name HG   AND segi "bcha" )(resid 11 AND name HA   AND segi "bcha" )  2.50  0.50  2.50
assign (resid  6 AND name HB*  AND segi "bcha" )(resid 11 AND name HD*  AND segi "bcha" )  5.69  3.69  2.50
assign (resid  6 AND name HD*  AND segi "bcha" )(resid 14 AND name HB*  AND segi "bcha" )  5.69  3.69  2.50
assign (resid  6 AND name HA   AND segi "bcha" )(resid  7 AND name HB*  AND segi "bcha" )  3.38  1.38  2.50
assign (resid  6 AND name HA   AND segi "bcha" )(resid 10 AND name HB*  AND segi "bcha" )  3.38  1.38  2.50
assign (resid  6 AND name HD*  AND segi "bcha" )(resid 14 AND name HN   AND segi "bcha" )  4.81  2.81  2.50
assign (resid  6 AND name HG   AND segi "bcha" )(resid  7 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid  7 AND name HN   AND segi "bcha" )(resid  7 AND name HB*  AND segi "bcha" )  2.32  0.32  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" )  2.36  0.36  2.50
assign (resid  7 AND name HN   AND segi "bcha" )(resid 10 AND name HN   AND segi "bcha" )  2.50  0.50  2.50
assign (resid  7 AND name HN   AND segi "bcha" )(resid 10 AND name HB*  AND segi "bcha" )  3.38  1.38  2.50
assign (resid  7 AND name HB*  AND segi "bcha" )(resid  8 AND name HA*  AND segi "bcha" )  4.18  2.18  2.50
assign (resid  8 AND name HN   AND segi "bcha" )(resid  8 AND name HA*  AND segi "bcha" )  0.87 -1.13  2.50
assign (resid  8 AND name HA*  AND segi "bcha" )(resid  9 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid  8 AND name HN   AND segi "bcha" )(resid  9 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid  8 AND name HA*  AND segi "bcha" )(resid 10 AND name HN   AND segi "bcha" )  2.14  0.14  2.50
assign (resid  8 AND name HA*  AND segi "bcha" )(resid 12 AND name HN   AND segi "bcha" )  2.14  0.14  2.50
assign (resid  8 AND name HA*  AND segi "bcha" )(resid  9 AND name HB*  AND segi "bcha" )  4.18  2.18  2.50
assign (resid  9 AND name HA   AND segi "bcha" )(resid  9 AND name HB*  AND segi "bcha" )  0.91 -1.09  2.50
assign (resid  9 AND name HN   AND segi "bcha" )(resid  9 AND name HB*  AND segi "bcha" )  0.82 -1.18  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 HA   AND segi "bcha" )(resid 12 AND name HB   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid  9 AND name HA   AND segi "bcha" )(resid 13 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 10 AND name HN   AND segi "bcha" )(resid 10 AND name HA   AND segi "bcha" )  1.70 -0.30  2.50
assign (resid 10 AND name HN   AND segi "bcha" )(resid 10 AND name HB*  AND segi "bcha" )  1.32 -0.68  2.50
assign (resid 10 AND name HA   AND segi "bcha" )(resid 10 AND name HB*  AND segi "bcha" )  1.91 -0.09  2.50
assign (resid 10 AND name HB*  AND segi "bcha" )(resid 12 AND name HG*  AND segi "bcha" )  5.61  3.61  2.50
assign (resid 10 AND name HA   AND segi "bcha" )(resid 13 AND name HG*  AND segi "bcha" )  3.38  1.38  2.50
assign (resid 10 AND name HA   AND segi "bcha" )(resid 13 AND name HB*  AND segi "bcha" )  3.38  1.38  2.50
assign (resid 10 AND name HA   AND segi "bcha" )(resid 13 AND name HN   AND segi "bcha" )  1.50 -0.50  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 HA   AND segi "bcha" )(resid 14 AND name HB*  AND segi "bcha" )  3.53  1.53  2.50
assign (resid 11 AND name HG   AND segi "bcha" )(resid 26 AND name HE*  AND segi "bcha" )  4.81  2.81  2.50
assign (resid 11 AND name HD*  AND segi "bcha" )(resid 26 AND name HE*  AND segi "bcha" )  7.12  5.12  2.50
assign (resid 11 AND name HD*  AND segi "bcha" )(resid 12 AND name HA   AND segi "bcha" )  4.81  2.81  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 HD*  AND segi "bcha" )(resid 15 AND name HG   AND segi "bcha" )  4.81  2.81  2.50
assign (resid 11 AND name HD*  AND segi "bcha" )(resid 14 AND name HB*  AND segi "bcha" )  3.51  1.51  2.50
assign (resid 11 AND name HA   AND segi "bcha" )(resid 14 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 12 AND name HN   AND segi "bcha" )(resid 12 AND name HA   AND segi "bcha" )  1.70 -0.30  2.50
assign (resid 12 AND name HA   AND segi "bcha" )(resid 12 AND name HB   AND segi "bcha" )  0.70 -1.30  2.50
assign (resid 12 AND name HA   AND segi "bcha" )(resid 12 AND name HG*  AND segi "bcha" )  3.01  1.01  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 HA   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" )  4.81  2.81  2.50
assign (resid 12 AND name HA   AND segi "bcha" )(resid 15 AND name HB*  AND segi "bcha" )  3.38  1.38  2.50
assign (resid 12 AND name HA   AND segi "bcha" )(resid 15 AND name HD*  AND segi "bcha" )  6.81  4.81  2.50
assign (resid 12 AND name HA   AND segi "bcha" )(resid 15 AND name HG   AND segi "bcha" )  4.50  2.50  2.50
assign (resid 12 AND name HG*  AND segi "bcha" )(resid 15 AND name HN   AND segi "bcha" )  4.81  2.81  2.50
assign (resid 12 AND name HG*  AND segi "bcha" )(resid 14 AND name HA   AND segi "bcha" )  4.81  2.81  2.50
assign (resid 12 AND name HB   AND segi "bcha" )(resid 24 AND name HE*  AND segi "bcha" )  4.81  2.81  2.50
assign (resid 12 AND name HB   AND segi "bcha" )(resid 24 AND name HD*  AND segi "bcha" )  4.81  2.81  2.50
assign (resid 12 AND name HG*  AND segi "bcha" )(resid 14 AND name HN   AND segi "bcha" )  4.81  2.81  2.50
assign (resid 12 AND name HA   AND segi "bcha" )(resid 15 AND name HB*  AND segi "bcha" )  3.38  1.38  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 13 AND name HN   AND segi "bcha" )(resid 13 AND name HA   AND segi "bcha" )  1.70 -0.30  2.50
assign (resid 13 AND name HN   AND segi "bcha" )(resid 13 AND name HB*  AND segi "bcha" )  2.32  0.32  2.50
assign (resid 13 AND name HN   AND segi "bcha" )(resid 13 AND name HG*  AND segi "bcha" )  1.57 -0.43  2.50
assign (resid 13 AND name HG*  AND segi "bcha" )(resid 13 AND name HA   AND segi "bcha" )  2.35  0.35  2.50
assign (resid 13 AND name HA   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 HN   AND segi "bcha" )  2.36  0.36  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 HA   AND segi "bcha" )(resid 16 AND name HB*  AND segi "bcha" )  3.38  1.38  2.50
assign (resid 13 AND name HA   AND segi "bcha" )(resid 16 AND name HD*  AND segi "bcha" )  4.81  2.81  2.50
assign (resid 13 AND name HN   AND segi "bcha" )(resid 16 AND name HD*  AND segi "bcha" )  4.81  2.81  2.50
assign (resid 13 AND name HN   AND segi "bcha" )(resid 14 AND name HB*  AND segi "bcha" )  3.53  1.53  2.50
assign (resid 14 AND name HN   AND segi "bcha" )(resid 14 AND name HA   AND segi "bcha" )  1.70 -0.30  2.50
assign (resid 14 AND name HN   AND segi "bcha" )(resid 14 AND name HB*  AND segi "bcha" )  0.89 -1.11  2.50
assign (resid 14 AND name HA   AND segi "bcha" )(resid 14 AND name HB*  AND segi "bcha" )  0.41 -1.59  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 HB*  AND segi "bcha" )(resid 15 AND name HN   AND segi "bcha" )  1.67 -0.33  2.50
assign (resid 14 AND name HN   AND segi "bcha" )(resid 15 AND name HN   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid 14 AND name HA   AND segi "bcha" )(resid 17 AND name HB*  AND segi "bcha" )  3.38  1.38  2.50
assign (resid 14 AND name HA   AND segi "bcha" )(resid 17 AND name HD*  AND segi "bcha" )  4.81  2.81  2.50
assign (resid 14 AND name HB*  AND segi "bcha" )(resid 15 AND name HB*  AND segi "bcha" )  4.41  2.41  2.50
assign (resid 14 AND name HB*  AND segi "bcha" )(resid 15 AND name HA   AND segi "bcha" )  3.53  1.53  2.50
assign (resid 14 AND name HN   AND segi "bcha" )(resid 15 AND name HB*  AND segi "bcha" )  3.38  1.38  2.50
assign (resid 14 AND name HN   AND segi "bcha" )(resid 15 AND name HG   AND segi "bcha" )  2.50  0.50  2.50
assign (resid 14 AND name HB*  AND segi "bcha" )(resid 18 AND name HG*  AND segi "bcha" )  5.84  3.84  2.50
assign (resid 14 AND name HA   AND segi "bcha" )(resid 18 AND name HG*  AND segi "bcha" )  4.81  2.81  2.50
assign (resid 14 AND name HA   AND segi "bcha" )(resid 17 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 14 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 HN   AND segi "bcha" )(resid 15 AND name HA   AND segi "bcha" )  0.70 -1.30  2.50
assign (resid 15 AND name HA   AND segi "bcha" )(resid 15 AND name HB*  AND segi "bcha" )  0.91 -1.09  2.50
assign (resid 15 AND name HA   AND segi "bcha" )(resid 15 AND name HD*  AND segi "bcha" )  2.38  0.38  2.50
assign (resid 15 AND name HA   AND segi "bcha" )(resid 15 AND name HG   AND segi "bcha" )  1.70 -0.30  2.50
assign (resid 15 AND name HD*  AND segi "bcha" )(resid 15 AND name HB*  AND segi "bcha" )  3.39  1.39  2.50
assign (resid 15 AND name HG   AND segi "bcha" )(resid 15 AND name HB*  AND segi "bcha" )  1.58 -0.42  2.50
assign (resid 15 AND name HG   AND segi "bcha" )(resid 15 AND name HD*  AND segi "bcha" )  0.70 -1.30  2.50
assign (resid 15 AND name HD*  AND segi "bcha" )(resid 15 AND name HN   AND segi "bcha" )  4.01  2.01  2.50
assign (resid 15 AND name HD*  AND segi "bcha" )(resid 24 AND name HD*  AND segi "bcha" )  7.12  5.12  2.50
assign (resid 15 AND name HD*  AND segi "bcha" )(resid 24 AND name HE*  AND segi "bcha" )  7.12  5.12  2.50
assign (resid 15 AND name HB*  AND segi "bcha" )(resid 24 AND name HD*  AND segi "bcha" )  5.51  3.51  2.50
assign (resid 15 AND name HB*  AND segi "bcha" )(resid 24 AND name HE*  AND segi "bcha" )  5.51  3.51  2.50
assign (resid 15 AND name HB*  AND segi "bcha" )(resid 19 AND name HB*  AND segi "bcha" )  4.26  2.26  2.50
assign (resid 15 AND name HA   AND segi "bcha" )(resid 18 AND name HG*  AND segi "bcha" )  4.81  2.81  2.50
assign (resid 15 AND name HB*  AND segi "bcha" )(resid 18 AND name HG*  AND segi "bcha" )  5.69  3.69  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 HA   AND segi "bcha" )(resid 19 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 16 AND name HN   AND segi "bcha" )(resid 16 AND name HA   AND segi "bcha" )  1.70 -0.30  2.50
assign (resid 16 AND name HN   AND segi "bcha" )(resid 16 AND name HB*  AND segi "bcha" )  1.32 -0.68  2.50
assign (resid 16 AND name HA   AND segi "bcha" )(resid 16 AND name HB*  AND segi "bcha" )  1.91 -0.09  2.50
assign (resid 16 AND name HB*  AND segi "bcha" )(resid 16 AND name HD*  AND segi "bcha" )  3.71  1.71  2.50
assign (resid 16 AND name HB*  AND segi "bcha" )(resid 17 AND name HN   AND segi "bcha" )  2.36  0.36  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 HN   AND segi "bcha" )(resid 17 AND name HD*  AND segi "bcha" )  4.81  2.81  2.50
assign (resid 16 AND name HA   AND segi "bcha" )(resid 24 AND name HE*  AND segi "bcha" )  4.63  2.63  2.50
assign (resid 16 AND name HB*  AND segi "bcha" )(resid 24 AND name HE*  AND segi "bcha" )  5.51  3.51  2.50
assign (resid 17 AND name HA   AND segi "bcha" )(resid 17 AND name HB*  AND segi "bcha" )  0.41 -1.59  2.50
assign (resid 17 AND name HN   AND segi "bcha" )(resid 17 AND name HB*  AND segi "bcha" )  1.32 -0.68  2.50
assign (resid 17 AND name HD*  AND segi "bcha" )(resid 17 AND name HB*  AND segi "bcha" )  3.89  1.89  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 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 HN   AND segi "bcha" )  1.56 -0.44  2.50
assign (resid 17 AND name HD*  AND segi "bcha" )(resid 18 AND name HA   AND segi "bcha" )  4.81  2.81  2.50
assign (resid 17 AND name HB*  AND segi "bcha" )(resid 18 AND name HG*  AND segi "bcha" )  5.69  3.69  2.50
assign (resid 18 AND name HA   AND segi "bcha" )(resid 18 AND name HB   AND segi "bcha" )  0.70 -1.30  2.50
assign (resid 18 AND name HA   AND segi "bcha" )(resid 18 AND name HG*  AND segi "bcha" )  1.46 -0.54  2.50
assign (resid 18 AND name HG*  AND segi "bcha" )(resid 18 AND name HA   AND segi "bcha" )  2.38  0.38  2.50
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" )  2.56  0.56  2.50
assign (resid 18 AND name HG*  AND segi "bcha" )(resid 21 AND name HG*  AND segi "bcha" )  7.49  5.49  2.50
assign (resid 18 AND name HG*  AND segi "bcha" )(resid 20 AND name HA*  AND segi "bcha" )  5.61  3.61  2.50
assign (resid 20 AND name HN   AND segi "bcha" )(resid 20 AND name HA*  AND segi "bcha" )  0.70 -1.30  2.50
assign (resid 20 AND name HA*  AND segi "bcha" )(resid 21 AND name HN   AND segi "bcha" )  1.70 -0.30  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 HG*  AND segi "bcha" )  4.38  2.38  2.50
assign (resid 20 AND name HA*  AND segi "bcha" )(resid 22 AND name HN   AND segi "bcha" )  2.30  0.30  2.50
assign (resid 21 AND name HN   AND segi "bcha" )(resid 21 AND name HA   AND segi "bcha" )  1.70 -0.30  2.50
assign (resid 21 AND name HN   AND segi "bcha" )(resid 21 AND name HB*  AND segi "bcha" )  1.70 -0.30  2.50
assign (resid 21 AND name HA   AND segi "bcha" )(resid 21 AND name HB*  AND segi "bcha" )  0.91 -1.09  2.50
assign (resid 21 AND name HA   AND segi "bcha" )(resid 21 AND name HG*  AND segi "bcha" )  2.35  0.35  2.50
assign (resid 21 AND name HN   AND segi "bcha" )(resid 22 AND name HN   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid 21 AND name HA   AND segi "bcha" )(resid 22 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 21 AND name HB*  AND segi "bcha" )(resid 22 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 21 AND name HB*  AND segi "bcha" )(resid 22 AND name HD*  AND segi "bcha" )  4.26  2.26  2.50
assign (resid 22 AND name HN   AND segi "bcha" )(resid 22 AND name HA   AND segi "bcha" )  0.20 -1.80  2.50
assign (resid 22 AND name HA   AND segi "bcha" )(resid 22 AND name HB*  AND segi "bcha" )  0.41 -1.59  2.50
assign (resid 22 AND name HB*  AND segi "bcha" )(resid 22 AND name NE   AND segi "bcha" )  2.58  0.58  2.50
assign (resid 22 AND name HA   AND segi "bcha" )(resid 23 AND name HN   AND segi "bcha" )  0.70 -1.30  2.50
assign (resid 22 AND name HN   AND segi "bcha" )(resid 23 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 22 AND name HB*  AND segi "bcha" )(resid 23 AND name HN   AND segi "bcha" )  2.36  0.36  2.50
assign (resid 22 AND name HD*  AND segi "bcha" )(resid 19 AND name HB*  AND segi "bcha" )  2.50  0.50  2.50
assign (resid 22 AND name HB*  AND segi "bcha" )(resid 24 AND name HD*  AND segi "bcha" )  5.51  3.51  2.50
assign (resid 23 AND name HN   AND segi "bcha" )(resid 23 AND name HA*  AND segi "bcha" )  1.87 -0.13  2.50
assign (resid 23 AND name HN   AND segi "bcha" )(resid 24 AND name HN   AND segi "bcha" )  1.70 -0.30  2.50
assign (resid 23 AND name HA*  AND segi "bcha" )(resid 24 AND name HN   AND segi "bcha" )  2.02  0.02  2.50
assign (resid 24 AND name HB*  AND segi "bcha" )(resid 24 AND name HD*  AND segi "bcha" )  3.71  1.71  2.50
assign (resid 24 AND name HA   AND segi "bcha" )(resid 24 AND name HD*  AND segi "bcha" )  3.63  1.63  2.50
assign (resid 24 AND name HB*  AND segi "bcha" )(resid 25 AND name HN   AND segi "bcha" )  2.56  0.56  2.50
assign (resid 24 AND name HD*  AND segi "bcha" )(resid 26 AND name HN   AND segi "bcha" )  4.81  2.81  2.50
assign (resid 24 AND name HD*  AND segi "bcha" )(resid 26 AND name HB*  AND segi "bcha" )  5.51  3.51  2.50
assign (resid 24 AND name HD*  AND segi "bcha" )(resid 25 AND name HN   AND segi "bcha" )  4.63  2.63  2.50
assign (resid 25 AND name HA   AND segi "bcha" )(resid 25 AND name HD*  AND segi "bcha" )  3.63  1.63  2.50
assign (resid 25 AND name HA   AND segi "bcha" )(resid 25 AND name HN   AND segi "bcha" )  1.50 -0.50  2.50
assign (resid 25 AND name HD*  AND segi "bcha" )(resid 26 AND name HB*  AND segi "bcha" )  5.51  3.51  2.50
assign (resid 26 AND name HB*  AND segi "bcha" )(resid 26 AND name HE*  AND segi "bcha" )  4.71  2.71  2.50
assign (resid 26 AND name HA   AND segi "bcha" )(resid 26 AND name HE*  AND segi "bcha" )  3.63  1.63  2.50
assign (resid 26 AND name HD*  AND segi "bcha" )(resid 28 AND name HB*  AND segi "bcha" )  7.49  5.49  2.50
assign (resid 27 AND name HA   AND segi "bcha" )(resid 27 AND name HB   AND segi "bcha" )  1.70 -0.30  2.50
assign (resid 27 AND name HA   AND segi "bcha" )(resid 27 AND name HG*  AND segi "bcha" )  2.38  0.38  2.50
assign (resid 27 AND name HB   AND segi "bcha" )(resid 27 AND name HG*  AND segi "bcha" )  1.73 -0.27  2.50
assign (resid 27 AND name HA   AND segi "bcha" )(resid 28 AND name HD*  AND segi "bcha" )  2.38  0.38  2.50
assign (resid 27 AND name HA   AND segi "bcha" )(resid 28 AND name HD*  AND segi "bcha" )  3.38  1.38  2.50
assign (resid 27 AND name HG*  AND segi "bcha" )(resid 29 AND name HE*  AND segi "bcha" )  4.41  2.41  2.50
assign (resid 27 AND name HG*  AND segi "bcha" )(resid 29 AND name HN   AND segi "bcha" )  3.53  1.53  2.50
assign (resid 27 AND name HG*  AND segi "bcha" )(resid 28 AND name HD*  AND segi "bcha" )  4.56  2.56  2.50
assign (resid 27 AND name HN   AND segi "bcha" )(resid 29 AND name HB*  AND segi "bcha" )  3.38  1.38  2.50
assign (resid 28 AND name HA   AND segi "bcha" )(resid 28 AND name HB*  AND segi "bcha" )  0.41 -1.59  2.50
assign (resid 28 AND name HA   AND segi "bcha" )(resid 28 AND name HG*  AND segi "bcha" )  1.35 -0.65  2.50
assign (resid 28 AND name HA   AND segi "bcha" )(resid 28 AND name HD*  AND segi "bcha" )  2.55  0.55  2.50
assign (resid 28 AND name HA   AND segi "bcha" )(resid 29 AND name HN   AND segi "bcha" )  0.70 -1.30  2.50
assign (resid 28 AND name HD*  AND segi "bcha" )(resid 29 AND name HN   AND segi "bcha" )  2.38  0.38  2.50
assign (resid 29 AND name HN   AND segi "bcha" )(resid 29 AND name HA   AND segi "bcha" )  1.70 -0.30  2.50
assign (resid 29 AND name HA   AND segi "bcha" )(resid 29 AND name HB*  AND segi "bcha" )  0.41 -1.59  2.50
assign (resid 29 AND name HN   AND segi "bcha" )(resid 29 AND name HB*  AND segi "bcha" )  2.32  0.32  2.50
assign (resid 29 AND name HA   AND segi "bcha" )(resid 30 AND name HN   AND segi "bcha" )  0.70 -1.30  2.50
assign (resid 29 AND name HB*  AND segi "bcha" )(resid 30 AND name HN   AND segi "bcha" )  2.36  0.36  2.50
assign (resid 30 AND name HN   AND segi "bcha" )(resid 30 AND name HA   AND segi "bcha" )  1.70 -0.30  2.50
assign (resid 30 AND name HA   AND segi "bcha" )(resid 30 AND name HG*  AND segi "bcha" )  2.38  0.38  2.50
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") 4 -65.0 50.0 2 
         assign (resid 10 and name n and segi "acha") 
                (resid 10 and name hn and segi "acha")
                (resid 10 and name ha and segi "acha")
                (resid 10 and name ca and segi "acha") 4 -120.0 80.0 2 
         assign (resid 12 and name n and segi "acha") 
                (resid 12 and name hn and segi "acha")
                (resid 12 and name ha and segi "acha")
                (resid 12 and name ca and segi "acha") 4 -120.0 50.0 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") 4 -65.0 50.0 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") 4 -120.0 80.0 2 
         assign (resid 17 and name n and segi "acha") 
                (resid 17 and name hn and segi "acha")
                (resid 17 and name ha and segi "acha")
                (resid 17 and name ca and segi "acha") 4 -120.0 50.0 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") 4 -120.0 50.0 2 
         assign (resid 19 and name n and segi "acha") 
                (resid 19 and name hn and segi "acha")
                (resid 19 and name ha and segi "acha")
                (resid 19 and name ca and segi "acha") 4 -120.0 80.0 2 
         assign (resid 20 and name n and segi "acha") 
                (resid 20 and name hn and segi "acha")
                (resid 20 and name ha and segi "acha")
                (resid 20 and name ca and segi "acha") 4 -120.0 50.0 2 
         assign (resid 2 and name n and segi "bcha") 
                (resid 2 and name hn and segi "bcha")
                (resid 2 and name ha and segi "bcha")
                (resid 2 and name ca and segi "bcha") 4 -120.0 50.0 2 
         assign (resid 5 and name n and segi "bcha") 
                (resid 5 and name hn and segi "bcha")
                (resid 5 and name ha and segi "bcha")
                (resid 5 and name ca and segi "bcha") 4 -120.0 50.0 2 
         assign (resid 6 and name n and segi "bcha") 
                (resid 6 and name hn and segi "bcha")
                (resid 6 and name ha and segi "bcha")
                (resid 6 and name ca and segi "bcha") 4 -120.0 50.0 2 
         assign (resid 7 and name n and segi "bcha") 
                (resid 7 and name hn and segi "bcha")
                (resid 7 and name ha and segi "bcha")
                (resid 7 and name ca and segi "bcha") 4 -120.0 80.0 2 
         assign (resid 13 and name n and segi "bcha") 
                (resid 13 and name hn and segi "bcha")
                (resid 13 and name ha and segi "bcha")
                (resid 13 and name ca and segi "bcha") 4 -65 50.0 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") 4 -120.0 80.0 2 
         assign (resid 19 and name n and segi "bcha") 
                (resid 19 and name hn and segi "bcha")
                (resid 19 and name ha and segi "bcha")
                (resid 19 and name ca and segi "bcha") 4 -125.0 70.0 2 
         assign (resid 22 and name n and segi "bcha") 
                (resid 22 and name hn and segi "bcha")
                (resid 22 and name ha and segi "bcha")
                (resid 22 and name ca and segi "bcha") 4 -120.0 50.0 2 
     end
end   

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  388 H/Q atoms
  Start of MODEL    1
    1    H    GLY   1           HN       GLY   1  -0.554  -8.569  -5.793
    2   1HA   GLY   1           HA2      GLY   1  -0.688  -6.279  -6.482
    3   2HA   GLY   1           HA1      GLY   1  -1.810  -6.121  -5.143
    4    H    ILE   2           HN       ILE   2  -0.155  -6.423  -3.028
    5    HA   ILE   2           HA       ILE   2   1.737  -4.090  -3.358
    6    HB   ILE   2           HB       ILE   2   1.067  -3.223  -1.155
    7   1HG1  ILE   2          HG12      ILE   2  -0.622  -5.760  -0.772
    8   2HG1  ILE   2          HG11      ILE   2   0.767  -5.273   0.198
    9   1HG2  ILE   2          HG22      ILE   2  -0.471  -2.804  -3.070
   10   2HG2  ILE   2          HG21      ILE   2  -1.423  -4.192  -2.641
   11   3HG2  ILE   2          HG23      ILE   2  -1.347  -2.807  -1.576
   12   1HD1  ILE   2           HD2      ILE   2  -0.398  -3.243   0.967
   13   2HD1  ILE   2           HD1      ILE   2  -1.838  -3.743   0.106
   14   3HD1  ILE   2           HD3      ILE   2  -1.244  -4.703   1.437
   15    H    VAL   3           HN       VAL   3   1.293  -6.513  -0.904
   16    HA   VAL   3           HA       VAL   3   3.542  -6.604   0.439
   17    HB   VAL   3           HB       VAL   3   3.069  -9.183   0.516
   18   1HG1  VAL   3          HG12      VAL   3   1.721  -7.543   1.877
   19   2HG1  VAL   3          HG11      VAL   3   0.581  -7.364   0.556
   20   3HG1  VAL   3          HG13      VAL   3   0.763  -8.909   1.341
   21   1HG2  VAL   3          HG21      VAL   3   2.351  -9.403  -1.951
   22   2HG2  VAL   3          HG23      VAL   3   1.127  -9.963  -0.847
   23   3HG2  VAL   3          HG22      VAL   3   0.954  -8.404  -1.621
   24    H    GLU   4           HN       GLU   4   4.138  -9.356  -1.629
   25    HA   GLU   4           HA       GLU   4   6.948  -8.743  -1.543
   26   1HB   GLU   4           HB2      GLU   4   5.277 -10.870  -2.922
   27   2HB   GLU   4           HB1      GLU   4   7.028 -10.873  -3.023
   28   1HG   GLU   4           HG2      GLU   4   6.035 -12.320  -1.101
   29   2HG   GLU   4           HG1      GLU   4   7.223 -11.165  -0.555
   30    H    GLN   5           HN       GLN   5   5.607  -6.778  -2.873
   31    HA   GLN   5           HA       GLN   5   7.272  -6.445  -5.339
   32   1HB   GLN   5           HB2      GLN   5   4.217  -6.061  -5.063
   33   2HB   GLN   5           HB1      GLN   5   5.132  -5.412  -6.411
   34   1HG   GLN   5           HG2      GLN   5   5.122  -8.419  -5.749
   35   2HG   GLN   5           HG1      GLN   5   4.085  -7.670  -6.944
   36   1HE2  GLN   5          HE21      GLN   5   7.885  -8.364  -7.926
   37   2HE2  GLN   5          HE22      GLN   5   7.377  -8.667  -6.319
   38    H    CYS   6           HN       CYS   6   5.305  -4.904  -2.845
   39    HA   CYS   6           HA       CYS   6   6.995  -2.473  -3.219
   40   1HB   CYS   6           HB2      CYS   6   4.151  -2.600  -2.214
   41   2HB   CYS   6           HB1      CYS   6   5.003  -1.223  -2.860
   42    HG   CYS   6           HG1      CYS   6   3.605  -3.375  -4.528
   43    H    CYS   7           HN       CYS   7   6.188  -4.838  -0.946
   44    HA   CYS   7           HA       CYS   7   7.224  -3.192   1.333
   45   1HB   CYS   7           HB2      CYS   7   5.144  -4.084   1.966
   46   2HB   CYS   7           HB1      CYS   7   5.298  -5.511   0.999
   47    HG   CYS   7           HG1      CYS   7   6.640  -6.649   2.832
   48    H    THR   8           HN       THR   8   7.150  -6.462   0.176
   49    HA   THR   8           HA       THR   8  10.041  -6.922   0.867
   50    HB   THR   8           HB       THR   8   8.164  -9.210  -0.051
   51    HG1  THR   8           HG1      THR   8   7.023  -8.881   1.607
   52   1HG2  THR   8          HG21      THR   8  10.058  -8.871   2.289
   53   2HG2  THR   8          HG23      THR   8   9.334 -10.355   1.686
   54   3HG2  THR   8          HG22      THR   8  10.585  -9.547   0.741
   55    H    SER   9           HN       SER   9   9.872  -5.310  -0.833
   56    HA   SER   9           HA       SER   9  11.370  -5.466  -3.044
   57   1HB   SER   9           HB2      SER   9  10.136  -7.295  -4.096
   58   2HB   SER   9           HB1      SER   9   8.604  -6.486  -3.822
   59    HG   SER   9           HG1      SER   9   9.061  -5.125  -5.484
   60    H    ILE  10           HN       ILE  10  10.319  -3.731  -4.886
   61    HA   ILE  10           HA       ILE  10   8.873  -1.634  -3.324
   62    HB   ILE  10           HB       ILE  10  11.407  -1.046  -4.730
   63   1HG1  ILE  10          HG12      ILE  10  10.544  -0.991  -1.755
   64   2HG1  ILE  10          HG11      ILE  10  11.596  -2.177  -2.453
   65   1HG2  ILE  10          HG22      ILE  10   9.641   0.814  -4.877
   66   2HG2  ILE  10          HG21      ILE  10   9.394   0.663  -3.148
   67   3HG2  ILE  10          HG23      ILE  10  10.922   1.247  -3.806
   68   1HD1  ILE  10           HD1      ILE  10  12.276   0.820  -2.410
   69   2HD1  ILE  10           HD3      ILE  10  12.942  -0.390  -1.356
   70   3HD1  ILE  10           HD2      ILE  10  13.276  -0.456  -3.071
   71    H    CYS  11           HN       CYS  11   7.288  -1.014  -4.271
   72    HA   CYS  11           HA       CYS  11   7.133   0.263  -6.945
   73   1HB   CYS  11           HB2      CYS  11   4.756  -1.042  -7.113
   74   2HB   CYS  11           HB1      CYS  11   6.228  -1.676  -7.812
   75    HG   CYS  11           HG1      CYS  11   6.216  -3.531  -6.184
   76    H    SER  12           HN       SER  12   6.622   0.435  -3.903
   77    HA   SER  12           HA       SER  12   4.302   1.242  -2.972
   78   1HB   SER  12           HB2      SER  12   7.026   2.284  -2.342
   79   2HB   SER  12           HB1      SER  12   5.633   2.274  -1.220
   80    HG   SER  12           HG1      SER  12   7.049   0.242  -1.287
   81    H    LEU  13           HN       LEU  13   2.954   2.433  -3.328
   82    HA   LEU  13           HA       LEU  13   1.532   4.302  -2.862
   83   1HB   LEU  13           HB2      LEU  13   3.044   6.245  -4.639
   84   2HB   LEU  13           HB1      LEU  13   1.892   6.526  -3.380
   85    HG   LEU  13           HG       LEU  13   4.709   6.139  -3.396
   86   1HD1  LEU  13          HD12      LEU  13   3.846   8.377  -3.533
   87   2HD1  LEU  13          HD11      LEU  13   2.828   8.144  -2.124
   88   3HD1  LEU  13          HD13      LEU  13   4.571   8.229  -1.946
   89   1HD2  LEU  13          HD22      LEU  13   2.851   5.966  -0.893
   90   2HD2  LEU  13          HD21      LEU  13   3.837   4.631  -1.444
   91   3HD2  LEU  13          HD23      LEU  13   4.600   6.043  -0.755
   92    OH   TYR  14           OH       TYR  14   8.600   3.054  -6.352
   93    H    TYR  14           HN       TYR  14   3.492   4.244  -5.489
   94    HA   TYR  14           HA       TYR  14   1.645   5.111  -7.441
   95   1HB   TYR  14           HB2      TYR  14   3.045   2.928  -8.798
   96   2HB   TYR  14           HB1      TYR  14   3.282   4.618  -9.072
   97    HD1  TYR  14           HD2      TYR  14   4.660   5.257  -6.266
   98    HD2  TYR  14           HD1      TYR  14   5.159   2.148  -9.126
   99    HE1  TYR  14           HE2      TYR  14   6.903   4.844  -5.449
  100    HE2  TYR  14           HE1      TYR  14   7.430   1.781  -8.303
  101    HH   TYR  14           HH       TYR  14   8.670   3.269  -5.412
  102    H    GLN  15           HN       GLN  15   2.672   1.997  -6.444
  103    HA   GLN  15           HA       GLN  15   0.515   0.648  -7.732
  104   1HB   GLN  15           HB2      GLN  15   1.454  -1.362  -6.469
  105   2HB   GLN  15           HB1      GLN  15   2.675  -0.451  -7.293
  106   1HG   GLN  15           HG2      GLN  15   3.685  -0.578  -5.240
  107   2HG   GLN  15           HG1      GLN  15   2.808   0.875  -4.928
  108   1HE2  GLN  15          HE21      GLN  15   1.124  -2.215  -3.109
  109   2HE2  GLN  15          HE22      GLN  15   1.253  -2.356  -4.805
  110    H    LEU  16           HN       LEU  16   1.054   1.153  -4.456
  111    HA   LEU  16           HA       LEU  16  -1.018   0.237  -2.967
  112   1HB   LEU  16           HB2      LEU  16  -0.353   3.241  -3.016
  113   2HB   LEU  16           HB1      LEU  16  -1.355   2.520  -1.789
  114    HG   LEU  16           HG       LEU  16   1.581   1.816  -2.268
  115   1HD1  LEU  16          HD12      LEU  16   1.161   3.988  -0.997
  116   2HD1  LEU  16          HD11      LEU  16   0.135   3.087   0.089
  117   3HD1  LEU  16          HD13      LEU  16   1.848   2.730  -0.004
  118   1HD2  LEU  16          HD21      LEU  16   0.239  -0.179  -1.453
  119   2HD2  LEU  16          HD23      LEU  16   1.370   0.415  -0.279
  120   3HD2  LEU  16          HD22      LEU  16  -0.324   0.803  -0.108
  121    H    GLU  17           HN       GLU  17  -1.520   2.966  -5.067
  122    HA   GLU  17           HA       GLU  17  -4.245   3.461  -4.884
  123   1HB   GLU  17           HB2      GLU  17  -2.198   3.483  -7.096
  124   2HB   GLU  17           HB1      GLU  17  -3.873   3.719  -7.578
  125   1HG   GLU  17           HG2      GLU  17  -2.560   5.133  -5.294
  126   2HG   GLU  17           HG1      GLU  17  -2.607   5.766  -6.933
  127    H    ASN  18           HN       ASN  18  -2.960   1.444  -7.187
  128    HA   ASN  18           HA       ASN  18  -5.038   0.136  -8.371
  129   1HB   ASN  18           HB2      ASN  18  -2.582   0.136  -9.031
  130   2HB   ASN  18           HB1      ASN  18  -2.142  -0.734  -7.633
  131   1HD2  ASN  18          HD21      ASN  18  -4.037  -3.382  -9.838
  132   2HD2  ASN  18          HD22      ASN  18  -4.948  -2.254  -8.944
  133    OH   TYR  19           OH       TYR  19  -0.126  -2.507  -7.442
  134    H    TYR  19           HN       TYR  19  -4.220  -0.457  -5.114
  135    HA   TYR  19           HA       TYR  19  -6.224  -2.720  -4.985
  136   1HB   TYR  19           HB2      TYR  19  -4.025  -2.653  -2.827
  137   2HB   TYR  19           HB1      TYR  19  -4.659  -4.053  -3.672
  138    HD1  TYR  19           HD2      TYR  19  -4.011  -4.373  -6.148
  139    HD2  TYR  19           HD1      TYR  19  -2.240  -1.515  -3.584
  140    HE1  TYR  19           HE2      TYR  19  -2.127  -4.056  -7.731
  141    HE2  TYR  19           HE1      TYR  19  -0.406  -1.251  -5.135
  142    HH   TYR  19           HH       TYR  19  -0.537  -2.613  -8.312
  143    H    CYS  20           HN       CYS  20  -4.845   0.000  -3.183
  144    HA   CYS  20           HA       CYS  20  -6.606   0.033  -0.958
  145   1HB   CYS  20           HB2      CYS  20  -5.918   2.314  -0.696
  146   2HB   CYS  20           HB1      CYS  20  -4.567   1.316  -1.149
  147    HG   CYS  20           HG1      CYS  20  -4.284   2.549  -3.272
  148    H    ASN  21           HN       ASN  21  -6.981   1.558  -3.902
  149    HA   ASN  21           HA       ASN  21  -9.165   3.165  -3.925
  150   1HB   ASN  21           HB2      ASN  21  -8.381   1.012  -5.889
  151   2HB   ASN  21           HB1      ASN  21  -9.910   1.848  -6.168
  152   1HD2  ASN  21          HD21      ASN  21  -6.610   3.802  -7.036
  153   2HD2  ASN  21          HD22      ASN  21  -6.634   2.111  -6.839
  154    H    PHE   1           HN       PHE   1   4.515  11.312  -0.471
  155    HA   PHE   1           HA       PHE   1   6.121  10.431   1.341
  156   1HB   PHE   1           HB2      PHE   1   3.658   8.871   0.453
  157   2HB   PHE   1           HB1      PHE   1   4.419   8.563   2.002
  158    HD1  PHE   1           HD1      PHE   1   4.848  10.680   3.505
  159    HD2  PHE   1           HD2      PHE   1   2.045  10.576   0.308
  160    HE1  PHE   1           HE1      PHE   1   3.673  12.601   4.477
  161    HE2  PHE   1           HE2      PHE   1   0.868  12.500   1.283
  162    HZ   PHE   1           HZ       PHE   1   1.682  13.512   3.367
  163    H    VAL   2           HN       VAL   2   6.790   8.410   2.222
  164    HA   VAL   2           HA       VAL   2   9.009   7.235   1.186
  165    HB   VAL   2           HB       VAL   2   8.412   7.386   3.346
  166   1HG1  VAL   2          HG12      VAL   2   5.907   6.925   3.293
  167   2HG1  VAL   2          HG11      VAL   2   6.239   5.256   2.868
  168   3HG1  VAL   2          HG13      VAL   2   6.650   5.855   4.455
  169   1HG2  VAL   2          HG21      VAL   2   9.976   5.525   3.018
  170   2HG2  VAL   2          HG23      VAL   2   8.923   5.196   4.377
  171   3HG2  VAL   2          HG22      VAL   2   8.602   4.434   2.861
  172    H    ASN   3           HN       ASN   3   8.124   6.991  -0.758
  173    HA   ASN   3           HA       ASN   3   6.827   4.801  -2.016
  174   1HB   ASN   3           HB2      ASN   3   8.139   5.803  -4.056
  175   2HB   ASN   3           HB1      ASN   3   7.087   6.894  -3.157
  176   1HD2  ASN   3          HD21      ASN   3   9.795   8.839  -2.153
  177   2HD2  ASN   3          HD22      ASN   3   8.093   8.655  -2.172
  178    H    GLN   4           HN       GLN   4   9.034   3.895  -0.255
  179    HA   GLN   4           HA       GLN   4  10.463   2.010  -2.058
  180   1HB   GLN   4           HB2      GLN   4  12.353   2.216  -0.339
  181   2HB   GLN   4           HB1      GLN   4  11.963   3.666  -1.232
  182   1HG   GLN   4           HG2      GLN   4  12.219   4.170   1.234
  183   2HG   GLN   4           HG1      GLN   4  10.589   4.547   0.721
  184   1HE2  GLN   4          HE21      GLN   4   9.270   1.969   2.727
  185   2HE2  GLN   4          HE22      GLN   4   8.848   3.099   1.527
  186    H    HIS   5           HN       HIS   5  11.444   0.851   0.745
  187    HA   HIS   5           HA       HIS   5   9.663  -1.446   0.754
  188   1HB   HIS   5           HB2      HIS   5  12.173  -0.683   2.292
  189   2HB   HIS   5           HB1      HIS   5  11.278  -2.124   2.722
  190    HD1  HIS   5           HD1      HIS   5  10.721  -3.512   0.406
  191    HD2  HIS   5           HD2      HIS   5  14.164  -1.361   0.546
  192    HE1  HIS   5           HE1      HIS   5  12.242  -4.457  -1.372
  193    H    LEU   6           HN       LEU   6   7.687  -0.406   1.451
  194    HA   LEU   6           HA       LEU   6   7.558   0.024   4.456
  195   1HB   LEU   6           HB2      LEU   6   5.666   1.460   4.111
  196   2HB   LEU   6           HB1      LEU   6   6.764   1.872   2.825
  197    HG   LEU   6           HG       LEU   6   4.291   0.122   2.583
  198   1HD1  LEU   6          HD12      LEU   6   3.894   2.561   2.898
  199   2HD1  LEU   6          HD11      LEU   6   4.987   2.914   1.567
  200   3HD1  LEU   6          HD13      LEU   6   3.481   2.060   1.266
  201   1HD2  LEU   6          HD22      LEU   6   6.265   1.088   0.494
  202   2HD2  LEU   6          HD21      LEU   6   5.998  -0.584   0.955
  203   3HD2  LEU   6          HD23      LEU   6   4.742   0.287   0.140
  204    H    CYS   7           HN       CYS   7   6.613  -1.562   5.681
  205    HA   CYS   7           HA       CYS   7   4.945  -3.608   4.229
  206   1HB   CYS   7           HB2      CYS   7   7.320  -4.086   5.148
  207   2HB   CYS   7           HB1      CYS   7   6.536  -4.215   6.700
  208    HG   CYS   7           HG1      CYS   7   5.563  -6.426   6.029
  209    H    GLY   8           HN       GLY   8   3.892  -5.111   5.812
  210   1HA   GLY   8           HA2      GLY   8   1.616  -5.265   6.679
  211   2HA   GLY   8           HA1      GLY   8   2.634  -5.027   8.094
  212    H    ASP   9           HN       ASP   9   2.817  -2.938   8.877
  213    HA   ASP   9           HA       ASP   9   0.162  -1.767   9.298
  214   1HB   ASP   9           HB2      ASP   9   1.456  -0.716  11.245
  215   2HB   ASP   9           HB1      ASP   9   1.504  -2.460  11.254
  216    H    HIS  10           HN       HIS  10   3.338  -0.692   8.550
  217    HA   HIS  10           HA       HIS  10   2.717   2.102   7.990
  218   1HB   HIS  10           HB2      HIS  10   4.948   1.066   8.539
  219   2HB   HIS  10           HB1      HIS  10   4.986   0.330   6.945
  220    HD1  HIS  10           HD1      HIS  10   3.958   3.885   7.600
  221    HD2  HIS  10           HD2      HIS  10   7.079   1.849   5.912
  222    HE1  HIS  10           HE1      HIS  10   5.398   5.567   6.520
  223    H    LEU  11           HN       LEU  11   2.854  -0.742   6.162
  224    HA   LEU  11           HA       LEU  11   2.266   0.262   3.511
  225   1HB   LEU  11           HB2      LEU  11   3.264  -1.953   3.999
  226   2HB   LEU  11           HB1      LEU  11   1.784  -2.476   4.788
  227    HG   LEU  11           HG       LEU  11   0.580  -2.192   2.593
  228   1HD1  LEU  11          HD11      LEU  11   3.413  -1.655   1.547
  229   2HD1  LEU  11          HD13      LEU  11   1.986  -1.836   0.553
  230   3HD1  LEU  11          HD12      LEU  11   2.139  -0.459   1.608
  231   1HD2  LEU  11          HD22      LEU  11   3.143  -3.839   2.528
  232   2HD2  LEU  11          HD21      LEU  11   1.629  -4.370   3.254
  233   3HD2  LEU  11          HD23      LEU  11   1.745  -4.114   1.519
  234    H    VAL  12           HN       VAL  12   0.035  -1.208   5.982
  235    HA   VAL  12           HA       VAL  12  -2.295  -0.572   4.376
  236    HB   VAL  12           HB       VAL  12  -2.508  -2.078   6.299
  237   1HG1  VAL  12          HG11      VAL  12  -1.952   0.315   8.087
  238   2HG1  VAL  12          HG13      VAL  12  -2.457  -1.272   8.614
  239   3HG1  VAL  12          HG12      VAL  12  -0.937  -1.085   7.785
  240   1HG2  VAL  12          HG21      VAL  12  -4.450  -0.716   5.563
  241   2HG2  VAL  12          HG23      VAL  12  -4.546  -1.004   7.302
  242   3HG2  VAL  12          HG22      VAL  12  -4.029   0.553   6.695
  243    H    GLU  13           HN       GLU  13  -0.793   1.260   7.030
  244    HA   GLU  13           HA       GLU  13  -2.299   3.511   7.253
  245   1HB   GLU  13           HB2      GLU  13  -0.331   2.814   8.609
  246   2HB   GLU  13           HB1      GLU  13   0.708   2.952   7.218
  247   1HG   GLU  13           HG2      GLU  13   0.259   5.378   7.116
  248   2HG   GLU  13           HG1      GLU  13  -0.726   5.226   8.578
  249    H    ALA  14           HN       ALA  14   0.201   2.735   4.947
  250    HA   ALA  14           HA       ALA  14  -0.075   5.082   3.453
  251   1HB   ALA  14           HB2      ALA  14   1.973   3.592   3.505
  252   2HB   ALA  14           HB1      ALA  14   1.089   2.303   2.727
  253   3HB   ALA  14           HB3      ALA  14   1.472   3.762   1.834
  254    H    LEU  15           HN       LEU  15  -1.262   1.849   2.757
  255    HA   LEU  15           HA       LEU  15  -2.713   2.310   0.367
  256   1HB   LEU  15           HB2      LEU  15  -3.672   0.736   2.799
  257   2HB   LEU  15           HB1      LEU  15  -4.496   0.688   1.258
  258    HG   LEU  15           HG       LEU  15  -1.574  -0.129   1.617
  259   1HD1  LEU  15          HD12      LEU  15  -3.247  -1.549   2.858
  260   2HD1  LEU  15          HD11      LEU  15  -4.153  -1.756   1.375
  261   3HD1  LEU  15          HD13      LEU  15  -2.525  -2.400   1.518
  262   1HD2  LEU  15          HD21      LEU  15  -2.384   0.546  -0.739
  263   2HD2  LEU  15          HD23      LEU  15  -1.972  -1.143  -0.602
  264   3HD2  LEU  15          HD22      LEU  15  -3.653  -0.651  -0.598
  265    OH   TYR  16           OH       TYR  16 -10.541   6.522   5.888
  266    H    TYR  16           HN       TYR  16  -3.704   3.016   3.585
  267    HA   TYR  16           HA       TYR  16  -6.257   4.230   2.898
  268   1HB   TYR  16           HB2      TYR  16  -5.391   3.304   5.252
  269   2HB   TYR  16           HB1      TYR  16  -4.646   4.892   5.436
  270    HD1  TYR  16           HD1      TYR  16  -6.082   6.939   5.211
  271    HD2  TYR  16           HD2      TYR  16  -7.733   3.031   5.343
  272    HE1  TYR  16           HE1      TYR  16  -8.362   7.891   5.620
  273    HE2  TYR  16           HE2      TYR  16  -9.985   4.006   5.744
  274    HH   TYR  16           HH       TYR  16 -10.893   6.541   4.986
  275    H    LEU  17           HN       LEU  17  -3.165   5.723   3.867
  276    HA   LEU  17           HA       LEU  17  -3.653   8.432   3.457
  277   1HB   LEU  17           HB2      LEU  17  -1.495   7.240   4.205
  278   2HB   LEU  17           HB1      LEU  17  -1.178   6.871   2.534
  279    HG   LEU  17           HG       LEU  17  -1.491   9.758   3.482
  280   1HD1  LEU  17          HD11      LEU  17   1.047   8.068   3.175
  281   2HD1  LEU  17          HD13      LEU  17   0.999   9.780   3.559
  282   3HD1  LEU  17          HD12      LEU  17   0.384   8.605   4.707
  283   1HD2  LEU  17          HD22      LEU  17  -0.064   8.491   1.088
  284   2HD2  LEU  17          HD21      LEU  17  -1.591   9.345   0.988
  285   3HD2  LEU  17          HD23      LEU  17  -0.155  10.204   1.454
  286    H    VAL  18           HN       VAL  18  -2.941   6.064   1.078
  287    HA   VAL  18           HA       VAL  18  -3.156   7.731  -1.292
  288    HB   VAL  18           HB       VAL  18  -3.060   4.712  -0.852
  289   1HG1  VAL  18          HG11      VAL  18  -2.569   6.362  -3.377
  290   2HG1  VAL  18          HG13      VAL  18  -2.347   4.630  -3.236
  291   3HG1  VAL  18          HG12      VAL  18  -3.945   5.329  -3.126
  292   1HG2  VAL  18          HG22      VAL  18  -0.926   6.754  -1.633
  293   2HG2  VAL  18          HG21      VAL  18  -1.053   5.985  -0.059
  294   3HG2  VAL  18          HG23      VAL  18  -0.669   5.024  -1.477
  295    H    CYS  19           HN       CYS  19  -5.379   4.942  -0.456
  296    HA   CYS  19           HA       CYS  19  -7.485   6.591  -1.824
  297   1HB   CYS  19           HB2      CYS  19  -7.556   3.596  -1.821
  298   2HB   CYS  19           HB1      CYS  19  -8.329   4.743  -2.877
  299    HG   CYS  19           HG1      CYS  19  -6.378   4.861  -4.386
  300    H    GLY  20           HN       GLY  20  -7.009   6.644   0.882
  301   1HA   GLY  20           HA2      GLY  20  -8.701   5.099   2.617
  302   2HA   GLY  20           HA1      GLY  20  -8.039   6.680   2.981
  303    H    GLU  21           HN       GLU  21  -9.451   7.577   0.588
  304    HA   GLU  21           HA       GLU  21 -12.144   8.192   1.708
  305   1HB   GLU  21           HB2      GLU  21 -11.815  10.090  -0.175
  306   2HB   GLU  21           HB1      GLU  21 -11.141  10.280   1.427
  307   1HG   GLU  21           HG2      GLU  21  -9.484  10.907  -0.393
  308   2HG   GLU  21           HG1      GLU  21  -8.864   9.621   0.597
  309    NH1  ARG  22           NH1      ARG  22  -7.508   6.455  -5.143
  310    NH2  ARG  22           NH2      ARG  22  -7.167   8.051  -3.730
  311    H    ARG  22           HN       ARG  22 -10.661   6.449  -0.591
  312    HA   ARG  22           HA       ARG  22 -12.623   6.462  -2.644
  313   1HB   ARG  22           HB2      ARG  22  -9.932   5.978  -2.480
  314   2HB   ARG  22           HB1      ARG  22 -10.529   4.374  -2.661
  315   1HG   ARG  22           HG2      ARG  22 -10.364   4.740  -4.880
  316   2HG   ARG  22           HG1      ARG  22 -11.917   5.476  -4.676
  317   1HD   ARG  22           HD2      ARG  22 -10.009   6.831  -5.936
  318   2HD   ARG  22           HD1      ARG  22 -11.109   7.659  -4.825
  319    HE   ARG  22           HE       ARG  22  -9.334   7.735  -3.140
  320   1HH1  ARG  22          HH12      ARG  22  -8.110   5.816  -5.593
  321   2HH1  ARG  22          HH11      ARG  22  -6.531   6.440  -5.353
  322   1HH2  ARG  22          HH22      ARG  22  -7.549   8.723  -3.098
  323   2HH2  ARG  22          HH21      ARG  22  -6.188   7.970  -3.904
  324    H    GLY  23           HN       GLY  23 -11.230   4.020  -0.909
  325   1HA   GLY  23           HA2      GLY  23 -13.702   2.519  -0.242
  326   2HA   GLY  23           HA1      GLY  23 -12.696   1.671  -1.402
  327    H    PHE  24           HN       PHE  24 -10.437   1.493  -0.690
  328    HA   PHE  24           HA       PHE  24  -8.678   1.071   0.823
  329   1HB   PHE  24           HB2      PHE  24  -9.967   2.343   2.647
  330   2HB   PHE  24           HB1      PHE  24 -10.868   0.882   2.969
  331    HD1  PHE  24           HD1      PHE  24  -7.205   1.790   2.739
  332    HD2  PHE  24           HD2      PHE  24 -10.318  -0.293   4.742
  333    HE1  PHE  24           HE1      PHE  24  -5.596   1.006   4.432
  334    HE2  PHE  24           HE2      PHE  24  -8.734  -1.073   6.430
  335    HZ   PHE  24           HZ       PHE  24  -6.390  -0.431   6.290
  336    H    PHE  25           HN       PHE  25  -9.163  -0.827  -0.794
  337    HA   PHE  25           HA       PHE  25 -10.076  -3.315   0.545
  338   1HB   PHE  25           HB2      PHE  25  -8.764  -3.196  -2.199
  339   2HB   PHE  25           HB1      PHE  25  -9.973  -4.314  -1.637
  340    HD1  PHE  25           HD1      PHE  25 -11.985  -2.413  -0.432
  341    HD2  PHE  25           HD2      PHE  25  -9.774  -2.209  -4.053
  342    HE1  PHE  25           HE1      PHE  25 -13.741  -1.012  -1.418
  343    HE2  PHE  25           HE2      PHE  25 -11.537  -0.809  -5.051
  344    HZ   PHE  25           HZ       PHE  25 -13.521  -0.204  -3.729
  345    OH   TYR  26           OH       TYR  26  -2.041  -4.960   6.764
  346    H    TYR  26           HN       TYR  26  -8.265  -2.734   2.125
  347    HA   TYR  26           HA       TYR  26  -5.544  -3.573   1.471
  348   1HB   TYR  26           HB2      TYR  26  -5.880  -1.860   3.158
  349   2HB   TYR  26           HB1      TYR  26  -7.036  -2.836   4.030
  350    HD1  TYR  26           HD2      TYR  26  -3.686  -3.925   2.730
  351    HD2  TYR  26           HD1      TYR  26  -6.052  -2.995   6.138
  352    HE1  TYR  26           HE2      TYR  26  -1.926  -4.815   4.201
  353    HE2  TYR  26           HE1      TYR  26  -4.260  -3.901   7.596
  354    HH   TYR  26           HH       TYR  26  -1.352  -4.286   6.912
  355    H    THR  27           HN       THR  27  -7.030  -5.713   0.706
  356    HA   THR  27           HA       THR  27  -6.010  -7.858   2.519
  357    HB   THR  27           HB       THR  27  -8.279  -7.636   3.241
  358    HG1  THR  27           HG1      THR  27  -8.181  -9.746   1.393
  359   1HG2  THR  27          HG21      THR  27  -9.137  -8.298   0.383
  360   2HG2  THR  27          HG23      THR  27 -10.147  -8.093   1.799
  361   3HG2  THR  27          HG22      THR  27  -9.306  -6.710   1.114
  362    HA   PRO  28           HA       PRO  28  -3.304  -9.673   0.826
  363   1HB   PRO  28           HB2      PRO  28  -3.302  -6.671   1.283
  364   2HB   PRO  28           HB1      PRO  28  -1.914  -7.748   1.073
  365   1HG   PRO  28           HG2      PRO  28  -2.796  -6.545  -1.142
  366   2HG   PRO  28           HG1      PRO  28  -2.596  -8.300  -1.243
  367   1HD   PRO  28           HD1      PRO  28  -5.165  -6.722  -0.833
  368   2HD   PRO  28           HD2      PRO  28  -4.896  -8.139  -1.865
  369    H    LYS  29           HN       LYS  29  -5.285 -10.479   2.354
  370    HA   LYS  29           HA       LYS  29  -4.265  -9.975   5.087
  371   1HB   LYS  29           HB2      LYS  29  -6.298  -8.400   4.432
  372   2HB   LYS  29           HB1      LYS  29  -7.249  -9.855   4.423
  373   1HG   LYS  29           HG2      LYS  29  -7.540  -8.679   6.531
  374   2HG   LYS  29           HG1      LYS  29  -6.815 -10.212   6.847
  375   1HD   LYS  29           HD2      LYS  29  -5.651  -8.515   8.178
  376   2HD   LYS  29           HD1      LYS  29  -4.516  -9.032   6.972
  377   1HE   LYS  29           HE2      LYS  29  -6.263  -6.683   6.307
  378   2HE   LYS  29           HE1      LYS  29  -5.017  -6.417   7.517
  379   1HZ   LYS  29           HZ1      LYS  29  -3.943  -7.850   5.239
  380   2HZ   LYS  29           HZ3      LYS  29  -4.726  -6.466   4.759
  381   3HZ   LYS  29           HZ2      LYS  29  -3.471  -6.371   5.894
  382    H    THR  30           HN       THR  30  -5.690 -11.526   6.652
  383    HA   THR  30           HA       THR  30  -5.473 -14.258   5.467
  384    HB   THR  30           HB       THR  30  -5.304 -14.978   7.925
  385    HG1  THR  30           HG1      THR  30  -5.941 -13.419   9.217
  386   1HG2  THR  30          HG22      THR  30  -3.147 -14.130   6.707
  387   2HG2  THR  30          HG21      THR  30  -3.530 -12.544   7.356
  388   3HG2  THR  30          HG23      THR  30  -3.178 -13.867   8.445
   
  Start of MODEL           2
 Raw file had  388 H/Q atoms
  Start of MODEL    2
    1    H    GLY   1           HN       GLY   1  -0.598  -5.464  -5.545
    2   1HA   GLY   1           HA2      GLY   1  -2.396  -6.788  -4.252
    3   2HA   GLY   1           HA1      GLY   1  -1.242  -8.111  -4.262
    4    H    ILE   2           HN       ILE   2  -0.646  -4.807  -3.708
    5    HA   ILE   2           HA       ILE   2   0.472  -3.579  -2.117
    6    HB   ILE   2           HB       ILE   2  -1.944  -3.714  -1.337
    7   1HG1  ILE   2          HG12      ILE   2   0.267  -3.381   0.731
    8   2HG1  ILE   2          HG11      ILE   2  -0.387  -2.143  -0.297
    9   1HG2  ILE   2          HG22      ILE   2  -2.081  -6.096  -0.566
   10   2HG2  ILE   2          HG21      ILE   2  -1.065  -5.667   0.817
   11   3HG2  ILE   2          HG23      ILE   2  -2.624  -4.942   0.617
   12   1HD1  ILE   2           HD2      ILE   2  -2.609  -2.277   0.950
   13   2HD1  ILE   2           HD1      ILE   2  -1.920  -3.484   2.017
   14   3HD1  ILE   2           HD3      ILE   2  -1.280  -1.871   2.012
   15    H    VAL   3           HN       VAL   3   0.126  -6.489  -0.101
   16    HA   VAL   3           HA       VAL   3   2.493  -6.033   1.389
   17    HB   VAL   3           HB       VAL   3   2.384  -8.638   1.764
   18   1HG1  VAL   3          HG11      VAL   3  -0.116  -6.882   2.162
   19   2HG1  VAL   3          HG13      VAL   3   0.240  -8.326   3.076
   20   3HG1  VAL   3          HG12      VAL   3   1.255  -6.912   3.227
   21   1HG2  VAL   3          HG21      VAL   3   1.096  -9.159  -0.421
   22   2HG2  VAL   3          HG23      VAL   3   0.320  -9.705   1.052
   23   3HG2  VAL   3          HG22      VAL   3  -0.253  -8.253   0.232
   24    H    GLU   4           HN       GLU   4   2.629  -8.715  -1.039
   25    HA   GLU   4           HA       GLU   4   5.489  -8.316  -1.228
   26   1HB   GLU   4           HB2      GLU   4   4.491 -10.564  -1.798
   27   2HB   GLU   4           HB1      GLU   4   3.546  -9.846  -3.101
   28   1HG   GLU   4           HG2      GLU   4   5.713 -10.952  -3.959
   29   2HG   GLU   4           HG1      GLU   4   5.699  -9.241  -4.329
   30    H    GLN   5           HN       GLN   5   6.243  -6.768  -2.050
   31    HA   GLN   5           HA       GLN   5   7.033  -5.403  -3.940
   32   1HB   GLN   5           HB2      GLN   5   5.465  -4.258  -5.393
   33   2HB   GLN   5           HB1      GLN   5   4.913  -5.906  -5.276
   34   1HG   GLN   5           HG2      GLN   5   3.219  -5.003  -3.399
   35   2HG   GLN   5           HG1      GLN   5   3.594  -3.420  -4.030
   36   1HE2  GLN   5          HE21      GLN   5   1.357  -5.953  -6.180
   37   2HE2  GLN   5          HE22      GLN   5   2.325  -6.492  -4.861
   38    H    CYS   6           HN       CYS   6   4.376  -4.363  -1.694
   39    HA   CYS   6           HA       CYS   6   5.873  -1.800  -1.345
   40   1HB   CYS   6           HB2      CYS   6   3.312  -2.804  -0.046
   41   2HB   CYS   6           HB1      CYS   6   3.928  -1.182   0.008
   42    HG   CYS   6           HG1      CYS   6   2.460  -2.428  -2.394
   43    H    CYS   7           HN       CYS   7   5.032  -4.666   0.434
   44    HA   CYS   7           HA       CYS   7   6.466  -3.796   2.864
   45   1HB   CYS   7           HB2      CYS   7   4.397  -5.008   2.997
   46   2HB   CYS   7           HB1      CYS   7   4.960  -6.251   1.935
   47    HG   CYS   7           HG1      CYS   7   6.106  -7.464   3.801
   48    H    THR   8           HN       THR   8   6.920  -5.840   0.184
   49    HA   THR   8           HA       THR   8   9.674  -6.581   1.052
   50    HB   THR   8           HB       THR   8   9.385  -8.468  -0.686
   51    HG1  THR   8           HG1      THR   8   7.421  -8.498  -1.433
   52   1HG2  THR   8          HG22      THR   8   8.557  -8.745   1.818
   53   2HG2  THR   8          HG21      THR   8   6.997  -8.185   1.222
   54   3HG2  THR   8          HG23      THR   8   7.694  -9.663   0.588
   55    H    SER   9           HN       SER   9   8.654  -6.819  -2.217
   56    HA   SER   9           HA       SER   9  11.068  -5.400  -3.212
   57   1HB   SER   9           HB2      SER   9   8.972  -6.830  -4.829
   58   2HB   SER   9           HB1      SER   9  10.636  -6.421  -5.302
   59    HG   SER   9           HG1      SER   9   9.662  -8.410  -3.660
   60    H    ILE  10           HN       ILE  10  10.250  -3.337  -2.610
   61    HA   ILE  10           HA       ILE  10   8.628  -1.544  -2.847
   62    HB   ILE  10           HB       ILE  10  11.071  -1.292  -4.667
   63   1HG1  ILE  10          HG12      ILE  10  10.291   0.054  -2.106
   64   2HG1  ILE  10          HG11      ILE  10  11.061  -1.514  -2.026
   65   1HG2  ILE  10          HG21      ILE  10   9.050   0.930  -3.789
   66   2HG2  ILE  10          HG23      ILE  10  10.539   1.259  -4.640
   67   3HG2  ILE  10          HG22      ILE  10   9.250   0.416  -5.437
   68   1HD1  ILE  10           HD2      ILE  10  13.021  -0.504  -3.377
   69   2HD1  ILE  10           HD1      ILE  10  12.221   1.055  -3.269
   70   3HD1  ILE  10           HD3      ILE  10  12.817   0.277  -1.816
   71    H    CYS  11           HN       CYS  11   7.282  -0.651  -3.543
   72    HA   CYS  11           HA       CYS  11   6.286  -0.989  -6.335
   73   1HB   CYS  11           HB2      CYS  11   4.083  -1.294  -5.368
   74   2HB   CYS  11           HB1      CYS  11   5.216  -2.175  -4.414
   75    HG   CYS  11           HG1      CYS  11   4.907  -0.705  -2.431
   76    H    SER  12           HN       SER  12   4.304   0.570  -5.955
   77    HA   SER  12           HA       SER  12   5.244   3.460  -6.198
   78   1HB   SER  12           HB2      SER  12   4.813   2.682  -8.360
   79   2HB   SER  12           HB1      SER  12   3.206   2.089  -7.928
   80    HG   SER  12           HG1      SER  12   3.832   4.561  -8.616
   81    H    LEU  13           HN       LEU  13   3.996   5.136  -5.996
   82    HA   LEU  13           HA       LEU  13   2.307   5.251  -3.597
   83   1HB   LEU  13           HB2      LEU  13   3.852   7.095  -4.473
   84   2HB   LEU  13           HB1      LEU  13   2.858   7.230  -5.902
   85    HG   LEU  13           HG       LEU  13   0.897   7.814  -4.298
   86   1HD1  LEU  13          HD11      LEU  13   3.330   8.219  -2.494
   87   2HD1  LEU  13          HD13      LEU  13   1.683   8.703  -2.125
   88   3HD1  LEU  13          HD12      LEU  13   2.093   7.001  -2.251
   89   1HD2  LEU  13          HD22      LEU  13   3.347   9.637  -4.484
   90   2HD2  LEU  13          HD21      LEU  13   2.131   9.451  -5.739
   91   3HD2  LEU  13          HD23      LEU  13   1.696  10.150  -4.193
   92    OH   TYR  14           OH       TYR  14   4.762   5.653 -10.874
   93    H    TYR  14           HN       TYR  14   1.601   5.937  -6.985
   94    HA   TYR  14           HA       TYR  14  -1.238   5.856  -6.636
   95   1HB   TYR  14           HB2      TYR  14  -1.074   5.058  -9.231
   96   2HB   TYR  14           HB1      TYR  14  -0.841   6.708  -8.735
   97    HD1  TYR  14           HD1      TYR  14   1.436   7.639  -8.524
   98    HD2  TYR  14           HD2      TYR  14   0.762   3.763 -10.132
   99    HE1  TYR  14           HE1      TYR  14   3.707   7.644  -9.492
  100    HE2  TYR  14           HE2      TYR  14   3.050   3.795 -11.085
  101    HH   TYR  14           HH       TYR  14   5.157   6.534 -10.832
  102    H    GLN  15           HN       GLN  15   1.142   3.162  -6.934
  103    HA   GLN  15           HA       GLN  15  -1.290   1.407  -7.192
  104   1HB   GLN  15           HB2      GLN  15   0.245  -0.478  -7.441
  105   2HB   GLN  15           HB1      GLN  15   1.011   0.819  -8.306
  106   1HG   GLN  15           HG2      GLN  15   2.711  -0.328  -7.004
  107   2HG   GLN  15           HG1      GLN  15   2.427   1.210  -6.194
  108   1HE2  GLN  15          HE21      GLN  15   1.608  -0.367  -3.259
  109   2HE2  GLN  15          HE22      GLN  15   2.090   1.058  -4.069
  110    H    LEU  16           HN       LEU  16   0.632   2.513  -4.707
  111    HA   LEU  16           HA       LEU  16  -0.248   0.720  -2.718
  112   1HB   LEU  16           HB2      LEU  16   0.995   3.485  -2.651
  113   2HB   LEU  16           HB1      LEU  16   0.087   3.094  -1.222
  114    HG   LEU  16           HG       LEU  16   2.445   1.443  -2.304
  115   1HD1  LEU  16          HD11      LEU  16   2.123   3.110   0.197
  116   2HD1  LEU  16          HD13      LEU  16   3.529   2.156  -0.238
  117   3HD1  LEU  16          HD12      LEU  16   3.081   3.550  -1.212
  118   1HD2  LEU  16          HD22      LEU  16   0.787   1.103   0.264
  119   2HD2  LEU  16          HD21      LEU  16   0.700  -0.005  -1.085
  120   3HD2  LEU  16          HD23      LEU  16   2.181   0.152  -0.180
  121    H    GLU  17           HN       GLU  17  -1.480   3.786  -3.868
  122    HA   GLU  17           HA       GLU  17  -3.814   3.753  -2.096
  123   1HB   GLU  17           HB2      GLU  17  -4.813   5.465  -3.548
  124   2HB   GLU  17           HB1      GLU  17  -3.134   5.849  -3.389
  125   1HG   GLU  17           HG2      GLU  17  -2.623   5.011  -5.534
  126   2HG   GLU  17           HG1      GLU  17  -4.244   4.400  -5.821
  127    H    ASN  18           HN       ASN  18  -3.452   2.443  -5.388
  128    HA   ASN  18           HA       ASN  18  -6.024   1.587  -5.916
  129   1HB   ASN  18           HB2      ASN  18  -3.787   1.044  -7.219
  130   2HB   ASN  18           HB1      ASN  18  -3.532  -0.271  -6.091
  131   1HD2  ASN  18          HD21      ASN  18  -6.736  -1.519  -7.833
  132   2HD2  ASN  18          HD22      ASN  18  -6.768  -0.588  -6.407
  133    OH   TYR  19           OH       TYR  19  -0.629  -3.587  -5.422
  134    H    TYR  19           HN       TYR  19  -4.081   0.240  -3.384
  135    HA   TYR  19           HA       TYR  19  -6.127  -1.791  -2.629
  136   1HB   TYR  19           HB2      TYR  19  -3.687  -0.955  -0.929
  137   2HB   TYR  19           HB1      TYR  19  -4.478  -2.509  -0.943
  138    HD1  TYR  19           HD1      TYR  19  -4.683  -3.511  -3.482
  139    HD2  TYR  19           HD2      TYR  19  -1.710  -0.893  -1.950
  140    HE1  TYR  19           HE1      TYR  19  -3.081  -4.311  -5.172
  141    HE2  TYR  19           HE2      TYR  19  -0.144  -1.693  -3.608
  142    HH   TYR  19           HH       TYR  19   0.116  -2.963  -5.463
  143    H    CYS  20           HN       CYS  20  -4.757   1.161  -1.314
  144    HA   CYS  20           HA       CYS  20  -6.252   1.673   1.053
  145   1HB   CYS  20           HB2      CYS  20  -4.417   2.951   0.094
  146   2HB   CYS  20           HB1      CYS  20  -5.575   3.678  -0.995
  147    HG   CYS  20           HG1      CYS  20  -5.424   4.115   2.054
  148    H    ASN  21           HN       ASN  21  -6.894   2.510  -2.036
  149    HA   ASN  21           HA       ASN  21  -9.286   3.766  -2.255
  150   1HB   ASN  21           HB2      ASN  21  -7.601   2.152  -4.158
  151   2HB   ASN  21           HB1      ASN  21  -8.997   3.013  -4.749
  152   1HD2  ASN  21          HD21      ASN  21  -6.691   5.656  -5.107
  153   2HD2  ASN  21          HD22      ASN  21  -7.717   4.549  -5.895
  154    H    PHE   1           HN       PHE   1   7.561   9.302  -7.077
  155    HA   PHE   1           HA       PHE   1   5.290   8.717  -5.250
  156   1HB   PHE   1           HB2      PHE   1   4.404   7.542  -7.400
  157   2HB   PHE   1           HB1      PHE   1   4.576   9.288  -7.499
  158    HD1  PHE   1           HD2      PHE   1   6.102   6.055  -8.467
  159    HD2  PHE   1           HD1      PHE   1   6.242  10.279  -8.937
  160    HE1  PHE   1           HE2      PHE   1   7.636   5.789 -10.353
  161    HE2  PHE   1           HE1      PHE   1   7.781  10.016 -10.834
  162    HZ   PHE   1           HZ       PHE   1   8.483   7.768 -11.545
  163    H    VAL   2           HN       VAL   2   7.628   7.666  -4.380
  164    HA   VAL   2           HA       VAL   2   7.536   4.849  -4.745
  165    HB   VAL   2           HB       VAL   2   9.667   6.075  -5.401
  166   1HG1  VAL   2          HG11      VAL   2   9.734   6.885  -2.438
  167   2HG1  VAL   2          HG13      VAL   2  11.012   7.183  -3.598
  168   3HG1  VAL   2          HG12      VAL   2   9.468   7.985  -3.777
  169   1HG2  VAL   2          HG21      VAL   2   9.927   3.762  -4.467
  170   2HG2  VAL   2          HG23      VAL   2  11.291   4.787  -4.095
  171   3HG2  VAL   2          HG22      VAL   2  10.101   4.463  -2.872
  172    H    ASN   3           HN       ASN   3   8.473   3.995  -2.702
  173    HA   ASN   3           HA       ASN   3   7.342   5.073  -0.157
  174   1HB   ASN   3           HB2      ASN   3   6.308   2.547   0.038
  175   2HB   ASN   3           HB1      ASN   3   5.428   3.841  -0.758
  176   1HD2  ASN   3          HD21      ASN   3   5.966   2.552  -3.965
  177   2HD2  ASN   3          HD22      ASN   3   5.572   3.968  -3.091
  178    H    GLN   4           HN       GLN   4   8.234   1.934  -0.691
  179    HA   GLN   4           HA       GLN   4  10.352   0.803  -0.346
  180   1HB   GLN   4           HB2      GLN   4  10.599   2.840   1.913
  181   2HB   GLN   4           HB1      GLN   4  11.476   1.346   1.930
  182   1HG   GLN   4           HG2      GLN   4  12.771   3.337   0.869
  183   2HG   GLN   4           HG1      GLN   4  12.788   1.827  -0.007
  184   1HE2  GLN   4          HE21      GLN   4  11.522   5.008  -1.919
  185   2HE2  GLN   4          HE22      GLN   4  12.281   5.127  -0.400
  186    H    HIS   5           HN       HIS   5  10.823  -0.666   1.154
  187    HA   HIS   5           HA       HIS   5   8.976  -2.541   1.824
  188   1HB   HIS   5           HB2      HIS   5  11.401  -2.199   3.681
  189   2HB   HIS   5           HB1      HIS   5  10.866  -3.657   2.868
  190    HD1  HIS   5           HD1      HIS   5  11.445  -3.652   0.190
  191    HD2  HIS   5           HD2      HIS   5  13.329  -0.774   2.381
  192    HE1  HIS   5           HE1      HIS   5  13.284  -2.778  -1.221
  193    H    LEU   6           HN       LEU   6   7.171  -1.323   2.609
  194    HA   LEU   6           HA       LEU   6   7.121  -1.140   5.621
  195   1HB   LEU   6           HB2      LEU   6   5.465   0.578   5.425
  196   2HB   LEU   6           HB1      LEU   6   6.628   0.958   4.189
  197    HG   LEU   6           HG       LEU   6   3.966  -0.406   3.615
  198   1HD1  LEU   6          HD12      LEU   6   3.793   1.928   4.610
  199   2HD1  LEU   6          HD11      LEU   6   4.916   2.495   3.398
  200   3HD1  LEU   6          HD13      LEU   6   3.335   1.904   2.913
  201   1HD2  LEU   6          HD22      LEU   6   5.915   1.132   1.867
  202   2HD2  LEU   6          HD21      LEU   6   5.709  -0.601   1.854
  203   3HD2  LEU   6          HD23      LEU   6   4.395   0.430   1.346
  204    H    CYS   7           HN       CYS   7   6.170  -2.811   6.574
  205    HA   CYS   7           HA       CYS   7   4.446  -4.618   4.979
  206   1HB   CYS   7           HB2      CYS   7   6.552  -5.183   6.381
  207   2HB   CYS   7           HB1      CYS   7   5.439  -5.281   7.724
  208    HG   CYS   7           HG1      CYS   7   4.425  -7.374   6.745
  209    H    GLY   8           HN       GLY   8   3.833  -3.518   8.400
  210   1HA   GLY   8           HA2      GLY   8   0.952  -4.253   7.768
  211   2HA   GLY   8           HA1      GLY   8   1.665  -4.376   9.372
  212    H    ASP   9           HN       ASP   9   2.054  -2.600  10.510
  213    HA   ASP   9           HA       ASP   9   0.057  -0.640  10.546
  214   1HB   ASP   9           HB2      ASP   9   1.713   0.186  12.421
  215   2HB   ASP   9           HB1      ASP   9   1.601  -1.569  12.470
  216    H    HIS  10           HN       HIS  10   3.405  -0.254   9.671
  217    HA   HIS  10           HA       HIS  10   3.290   2.439   8.720
  218   1HB   HIS  10           HB2      HIS  10   5.349   1.102   9.160
  219   2HB   HIS  10           HB1      HIS  10   5.013   0.105   7.746
  220    HD1  HIS  10           HD1      HIS  10   7.460   1.233   7.158
  221    HD2  HIS  10           HD2      HIS  10   4.251   3.722   6.826
  222    HE1  HIS  10           HE1      HIS  10   8.181   3.138   5.719
  223    H    LEU  11           HN       LEU  11   2.768  -0.575   7.029
  224    HA   LEU  11           HA       LEU  11   2.187   0.487   4.429
  225   1HB   LEU  11           HB2      LEU  11   2.682  -1.911   4.875
  226   2HB   LEU  11           HB1      LEU  11   1.217  -2.067   5.815
  227    HG   LEU  11           HG       LEU  11  -0.122  -1.535   3.770
  228   1HD1  LEU  11          HD11      LEU  11   2.629  -1.685   2.421
  229   2HD1  LEU  11          HD13      LEU  11   1.101  -1.538   1.577
  230   3HD1  LEU  11          HD12      LEU  11   1.678  -0.214   2.554
  231   1HD2  LEU  11          HD21      LEU  11   0.492  -3.856   4.447
  232   2HD2  LEU  11          HD23      LEU  11   0.399  -3.737   2.707
  233   3HD2  LEU  11          HD22      LEU  11   1.962  -3.743   3.501
  234    H    VAL  12           HN       VAL  12  -0.177  -0.484   6.919
  235    HA   VAL  12           HA       VAL  12  -2.429   0.576   5.502
  236    HB   VAL  12           HB       VAL  12  -2.681  -0.892   7.479
  237   1HG1  VAL  12          HG11      VAL  12  -1.695   1.521   9.070
  238   2HG1  VAL  12          HG13      VAL  12  -2.347   0.046   9.749
  239   3HG1  VAL  12          HG12      VAL  12  -0.894  -0.013   8.788
  240   1HG2  VAL  12          HG21      VAL  12  -4.503   0.790   6.773
  241   2HG2  VAL  12          HG23      VAL  12  -4.551   0.526   8.519
  242   3HG2  VAL  12          HG22      VAL  12  -3.808   1.970   7.865
  243    H    GLU  13           HN       GLU  13  -0.309   2.225   7.887
  244    HA   GLU  13           HA       GLU  13  -1.604   4.701   8.053
  245   1HB   GLU  13           HB2      GLU  13   0.223   3.937   9.463
  246   2HB   GLU  13           HB1      GLU  13   1.279   3.683   8.098
  247   1HG   GLU  13           HG2      GLU  13   1.938   5.705   9.169
  248   2HG   GLU  13           HG1      GLU  13   1.161   6.155   7.649
  249    H    ALA  14           HN       ALA  14   0.818   3.494   5.814
  250    HA   ALA  14           HA       ALA  14   0.817   5.719   4.198
  251   1HB   ALA  14           HB2      ALA  14   2.512   3.804   4.023
  252   2HB   ALA  14           HB1      ALA  14   1.261   2.745   3.411
  253   3HB   ALA  14           HB3      ALA  14   1.834   4.071   2.422
  254    H    LEU  15           HN       LEU  15  -1.153   2.906   3.998
  255    HA   LEU  15           HA       LEU  15  -2.692   3.634   1.692
  256   1HB   LEU  15           HB2      LEU  15  -3.775   2.243   4.215
  257   2HB   LEU  15           HB1      LEU  15  -4.587   2.289   2.677
  258    HG   LEU  15           HG       LEU  15  -1.899   0.936   3.188
  259   1HD1  LEU  15          HD12      LEU  15  -3.926  -0.188   4.186
  260   2HD1  LEU  15          HD11      LEU  15  -4.705  -0.148   2.618
  261   3HD1  LEU  15          HD13      LEU  15  -3.269  -1.118   2.864
  262   1HD2  LEU  15          HD22      LEU  15  -3.702   0.941   0.715
  263   2HD2  LEU  15          HD21      LEU  15  -2.167   1.781   0.818
  264   3HD2  LEU  15          HD23      LEU  15  -2.213   0.041   0.903
  265    OH   TYR  16           OH       TYR  16  -7.076  10.611   8.909
  266    H    TYR  16           HN       TYR  16  -3.497   4.297   5.070
  267    HA   TYR  16           HA       TYR  16  -5.667   5.990   5.008
  268   1HB   TYR  16           HB2      TYR  16  -4.404   5.374   7.120
  269   2HB   TYR  16           HB1      TYR  16  -3.141   6.500   6.698
  270    HD1  TYR  16           HD1      TYR  16  -3.707   8.945   6.411
  271    HD2  TYR  16           HD2      TYR  16  -6.399   6.200   8.208
  272    HE1  TYR  16           HE1      TYR  16  -4.962  10.820   7.414
  273    HE2  TYR  16           HE2      TYR  16  -7.641   8.107   9.205
  274    HH   TYR  16           HH       TYR  16  -7.341  11.157   8.167
  275    H    LEU  17           HN       LEU  17  -2.431   7.184   4.510
  276    HA   LEU  17           HA       LEU  17  -3.449   9.832   3.638
  277   1HB   LEU  17           HB2      LEU  17  -1.033  10.445   3.606
  278   2HB   LEU  17           HB1      LEU  17  -1.514   9.688   5.104
  279    HG   LEU  17           HG       LEU  17  -0.609   7.469   4.017
  280   1HD1  LEU  17          HD11      LEU  17   0.939   9.614   2.490
  281   2HD1  LEU  17          HD13      LEU  17   1.296   7.896   2.496
  282   3HD1  LEU  17          HD12      LEU  17  -0.165   8.482   1.739
  283   1HD2  LEU  17          HD22      LEU  17   1.196   9.728   4.963
  284   2HD2  LEU  17          HD21      LEU  17   0.324   8.594   5.985
  285   3HD2  LEU  17          HD23      LEU  17   1.615   8.022   4.962
  286    H    VAL  18           HN       VAL  18  -2.180   7.049   1.887
  287    HA   VAL  18           HA       VAL  18  -1.884   8.541  -0.650
  288    HB   VAL  18           HB       VAL  18  -0.743   6.316   0.253
  289   1HG1  VAL  18          HG12      VAL  18  -2.857   5.087   0.434
  290   2HG1  VAL  18          HG11      VAL  18  -3.116   5.313  -1.276
  291   3HG1  VAL  18          HG13      VAL  18  -1.792   4.291  -0.722
  292   1HG2  VAL  18          HG22      VAL  18  -1.574   6.737  -2.656
  293   2HG2  VAL  18          HG21      VAL  18  -0.181   7.418  -1.873
  294   3HG2  VAL  18          HG23      VAL  18  -0.275   5.684  -2.141
  295    H    CYS  19           HN       CYS  19  -4.402   6.514   0.826
  296    HA   CYS  19           HA       CYS  19  -6.182   5.677  -0.592
  297   1HB   CYS  19           HB2      CYS  19  -6.103   7.727   1.593
  298   2HB   CYS  19           HB1      CYS  19  -7.713   7.437   1.102
  299    HG   CYS  19           HG1      CYS  19  -6.014   5.832   3.003
  300    H    GLY  20           HN       GLY  20  -5.722   7.482  -2.765
  301   1HA   GLY  20           HA2      GLY  20  -7.525   9.215  -3.674
  302   2HA   GLY  20           HA1      GLY  20  -7.297   7.762  -4.605
  303    H    GLU  21           HN       GLU  21  -8.645   5.977  -3.361
  304    HA   GLU  21           HA       GLU  21 -11.571   6.768  -3.291
  305   1HB   GLU  21           HB2      GLU  21 -10.499   4.125  -4.033
  306   2HB   GLU  21           HB1      GLU  21 -12.098   4.704  -4.276
  307   1HG   GLU  21           HG2      GLU  21 -11.334   6.068  -6.231
  308   2HG   GLU  21           HG1      GLU  21  -9.654   5.975  -5.740
  309    NH1  ARG  22           NH2      ARG  22 -12.004   2.556   3.534
  310    NH2  ARG  22           NH1      ARG  22 -10.579   1.145   4.379
  311    H    ARG  22           HN       ARG  22  -9.860   6.406  -0.956
  312    HA   ARG  22           HA       ARG  22  -9.730   4.078   0.215
  313   1HB   ARG  22           HB2      ARG  22  -9.054   6.132   1.207
  314   2HB   ARG  22           HB1      ARG  22 -10.687   6.755   1.330
  315   1HG   ARG  22           HG2      ARG  22  -9.566   5.902   3.528
  316   2HG   ARG  22           HG1      ARG  22 -11.156   5.257   3.220
  317   1HD   ARG  22           HD2      ARG  22  -9.799   3.254   1.995
  318   2HD   ARG  22           HD1      ARG  22  -8.435   3.918   2.787
  319    HE   ARG  22           HE       ARG  22  -9.757   3.516   5.005
  320   1HH1  ARG  22          HH22      ARG  22 -12.194   3.493   3.247
  321   2HH1  ARG  22          HH21      ARG  22 -12.676   1.835   3.440
  322   1HH2  ARG  22          HH12      ARG  22  -9.682   0.962   4.760
  323   2HH2  ARG  22          HH11      ARG  22 -11.245   0.414   4.267
  324    H    GLY  23           HN       GLY  23 -10.743   2.551  -0.117
  325   1HA   GLY  23           HA2      GLY  23 -13.325   1.916   1.328
  326   2HA   GLY  23           HA1      GLY  23 -12.872   1.189  -0.209
  327    H    PHE  24           HN       PHE  24 -10.689   0.395  -0.101
  328    HA   PHE  24           HA       PHE  24  -8.768  -0.781   0.823
  329   1HB   PHE  24           HB2      PHE  24 -10.903  -1.816   2.765
  330   2HB   PHE  24           HB1      PHE  24  -9.491  -2.772   2.464
  331    HD1  PHE  24           HD2      PHE  24  -8.143   0.476   2.152
  332    HD2  PHE  24           HD1      PHE  24  -9.746  -2.151   5.110
  333    HE1  PHE  24           HE2      PHE  24  -6.911   1.669   3.870
  334    HE2  PHE  24           HE1      PHE  24  -8.512  -0.935   6.834
  335    HZ   PHE  24           HZ       PHE  24  -7.084   0.975   6.228
  336    H    PHE  25           HN       PHE  25  -9.006  -1.167  -1.363
  337    HA   PHE  25           HA       PHE  25 -10.417  -3.610  -2.274
  338   1HB   PHE  25           HB2      PHE  25  -8.642  -1.670  -3.817
  339   2HB   PHE  25           HB1      PHE  25  -9.634  -2.902  -4.546
  340    HD1  PHE  25           HD1      PHE  25 -11.965  -2.081  -2.313
  341    HD2  PHE  25           HD2      PHE  25  -9.742  -0.114  -5.364
  342    HE1  PHE  25           HE1      PHE  25 -13.767  -0.436  -2.577
  343    HE2  PHE  25           HE2      PHE  25 -11.543   1.527  -5.635
  344    HZ   PHE  25           HZ       PHE  25 -13.555   1.371  -4.244
  345    OH   TYR  26           OH       TYR  26  -7.197  -3.402   4.718
  346    H    TYR  26           HN       TYR  26  -8.787  -4.663  -0.600
  347    HA   TYR  26           HA       TYR  26  -6.751  -6.026  -2.320
  348   1HB   TYR  26           HB2      TYR  26  -5.042  -5.811  -0.471
  349   2HB   TYR  26           HB1      TYR  26  -5.569  -4.277  -1.114
  350    HD1  TYR  26           HD1      TYR  26  -6.580  -6.647   1.664
  351    HD2  TYR  26           HD2      TYR  26  -6.029  -2.605   0.428
  352    HE1  TYR  26           HE1      TYR  26  -7.142  -5.841   3.929
  353    HE2  TYR  26           HE2      TYR  26  -6.582  -1.856   2.699
  354    HH   TYR  26           HH       TYR  26  -7.166  -2.441   4.714
  355    H    THR  27           HN       THR  27  -5.836  -8.023  -1.402
  356    HA   THR  27           HA       THR  27  -7.795  -9.451   0.369
  357    HB   THR  27           HB       THR  27  -8.334 -10.206  -1.877
  358    HG1  THR  27           HG1      THR  27  -8.265 -12.216  -1.168
  359   1HG2  THR  27          HG21      THR  27  -5.468 -11.246  -1.989
  360   2HG2  THR  27          HG23      THR  27  -6.709 -11.459  -3.204
  361   3HG2  THR  27          HG22      THR  27  -6.006  -9.870  -2.949
  362    HA   PRO  28           HA       PRO  28  -4.724 -11.156   3.141
  363   1HB   PRO  28           HB2      PRO  28  -6.352 -13.529   2.171
  364   2HB   PRO  28           HB1      PRO  28  -5.600 -13.303   3.754
  365   1HG   PRO  28           HG2      PRO  28  -8.138 -12.597   3.537
  366   2HG   PRO  28           HG1      PRO  28  -7.059 -11.398   4.258
  367   1HD   PRO  28           HD1      PRO  28  -8.136 -11.520   1.418
  368   2HD   PRO  28           HD2      PRO  28  -7.954 -10.106   2.473
  369    H    LYS  29           HN       LYS  29  -5.245 -13.145   0.532
  370    HA   LYS  29           HA       LYS  29  -3.659 -14.712  -0.566
  371   1HB   LYS  29           HB2      LYS  29  -4.135 -13.154  -2.167
  372   2HB   LYS  29           HB1      LYS  29  -3.547 -11.802  -1.297
  373   1HG   LYS  29           HG2      LYS  29  -1.636 -13.838  -2.546
  374   2HG   LYS  29           HG1      LYS  29  -2.396 -12.645  -3.552
  375   1HD   LYS  29           HD2      LYS  29  -0.156 -12.235  -1.528
  376   2HD   LYS  29           HD1      LYS  29  -0.384 -11.591  -3.101
  377   1HE   LYS  29           HE2      LYS  29  -0.604  -9.726  -1.671
  378   2HE   LYS  29           HE1      LYS  29  -2.216 -10.097  -2.253
  379   1HZ   LYS  29           HZ1      LYS  29  -1.757 -11.656   0.074
  380   2HZ   LYS  29           HZ3      LYS  29  -1.360 -10.104   0.480
  381   3HZ   LYS  29           HZ2      LYS  29  -2.886 -10.459  -0.100
  382    H    THR  30           HN       THR  30  -2.628 -15.530   1.342
  383    HA   THR  30           HA       THR  30   0.202 -14.630   1.791
  384    HB   THR  30           HB       THR  30  -0.034 -15.792   4.045
  385    HG1  THR  30           HG1      THR  30  -1.788 -17.002   4.167
  386   1HG2  THR  30          HG22      THR  30  -0.947 -13.339   3.805
  387   2HG2  THR  30          HG21      THR  30  -2.501 -14.067   3.447
  388   3HG2  THR  30          HG23      THR  30  -1.761 -14.324   5.012
   
  Start of MODEL           3
 Raw file had  388 H/Q atoms
  Start of MODEL    3
    1    H    GLY   1           HN       GLY   1  -4.803  -4.832  -2.992
    2   1HA   GLY   1           HA2      GLY   1  -3.184  -6.817  -3.021
    3   2HA   GLY   1           HA1      GLY   1  -2.476  -5.531  -3.990
    4    H    ILE   2           HN       ILE   2  -1.556  -3.838  -2.440
    5    HA   ILE   2           HA       ILE   2   0.713  -3.578  -1.637
    6    HB   ILE   2           HB       ILE   2   0.187  -3.149   0.917
    7   1HG1  ILE   2          HG12      ILE   2  -2.618  -3.549  -0.124
    8   2HG1  ILE   2          HG11      ILE   2  -1.770  -4.774   0.806
    9   1HG2  ILE   2          HG22      ILE   2   0.304  -1.426  -0.859
   10   2HG2  ILE   2          HG21      ILE   2  -1.371  -1.758  -1.279
   11   3HG2  ILE   2          HG23      ILE   2  -0.952  -1.119   0.305
   12   1HD1  ILE   2           HD1      ILE   2  -2.285  -1.921   1.806
   13   2HD1  ILE   2           HD3      ILE   2  -3.187  -3.338   2.295
   14   3HD1  ILE   2           HD2      ILE   2  -1.492  -3.195   2.697
   15    H    VAL   3           HN       VAL   3   0.556  -6.668  -1.495
   16    HA   VAL   3           HA       VAL   3   2.079  -7.092   0.996
   17    HB   VAL   3           HB       VAL   3   2.023  -9.519   0.223
   18   1HG1  VAL   3          HG11      VAL   3  -0.615  -7.976   0.261
   19   2HG1  VAL   3          HG13      VAL   3  -0.461  -9.687   0.549
   20   3HG1  VAL   3          HG12      VAL   3   0.251  -8.539   1.667
   21   1HG2  VAL   3          HG21      VAL   3   1.866  -9.047  -2.289
   22   2HG2  VAL   3          HG23      VAL   3   0.556 -10.050  -1.726
   23   3HG2  VAL   3          HG22      VAL   3   0.275  -8.364  -2.044
   24    H    GLU   4           HN       GLU   4   3.504  -9.239  -1.102
   25    HA   GLU   4           HA       GLU   4   6.097  -8.029  -0.837
   26   1HB   GLU   4           HB2      GLU   4   6.719 -10.017  -2.394
   27   2HB   GLU   4           HB1      GLU   4   5.902 -10.460  -0.911
   28   1HG   GLU   4           HG2      GLU   4   4.271 -10.043  -3.479
   29   2HG   GLU   4           HG1      GLU   4   5.096 -11.546  -3.213
   30    H    GLN   5           HN       GLN   5   5.473  -6.169  -1.586
   31    HA   GLN   5           HA       GLN   5   6.712  -5.202  -3.948
   32   1HB   GLN   5           HB2      GLN   5   4.826  -4.408  -5.251
   33   2HB   GLN   5           HB1      GLN   5   4.618  -6.118  -4.995
   34   1HG   GLN   5           HG2      GLN   5   2.829  -5.809  -3.407
   35   2HG   GLN   5           HG1      GLN   5   3.212  -4.112  -3.162
   36   1HE2  GLN   5          HE21      GLN   5   0.590  -4.897  -5.923
   37   2HE2  GLN   5          HE22      GLN   5   1.050  -6.072  -4.772
   38    H    CYS   6           HN       CYS   6   4.349  -4.635  -1.364
   39    HA   CYS   6           HA       CYS   6   5.391  -1.816  -1.029
   40   1HB   CYS   6           HB2      CYS   6   2.795  -3.019   0.003
   41   2HB   CYS   6           HB1      CYS   6   3.257  -1.349   0.042
   42    HG   CYS   6           HG1      CYS   6   2.150  -2.785  -2.461
   43    H    CYS   7           HN       CYS   7   4.760  -4.792   0.433
   44    HA   CYS   7           HA       CYS   7   6.079  -4.010   2.992
   45   1HB   CYS   7           HB2      CYS   7   3.789  -4.367   3.166
   46   2HB   CYS   7           HB1      CYS   7   3.779  -5.756   2.150
   47    HG   CYS   7           HG1      CYS   7   4.509  -7.235   4.121
   48    H    THR   8           HN       THR   8   7.334  -4.510   0.826
   49    HA   THR   8           HA       THR   8   9.678  -5.768   1.055
   50    HB   THR   8           HB       THR   8   7.681  -8.038   0.518
   51    HG1  THR   8           HG1      THR   8   8.314  -7.954   2.542
   52   1HG2  THR   8          HG21      THR   8  10.733  -8.098   0.366
   53   2HG2  THR   8          HG23      THR   8   9.627  -9.441   0.139
   54   3HG2  THR   8          HG22      THR   8   9.748  -8.197  -1.095
   55    H    SER   9           HN       SER   9  10.260  -4.390  -0.460
   56    HA   SER   9           HA       SER   9  11.212  -4.201  -2.719
   57   1HB   SER   9           HB2      SER   9   9.502  -5.987  -3.708
   58   2HB   SER   9           HB1      SER   9   8.422  -4.579  -3.787
   59    HG   SER   9           HG1      SER   9  10.441  -5.132  -5.458
   60    H    ILE  10           HN       ILE  10   9.741  -2.576  -4.526
   61    HA   ILE  10           HA       ILE  10   8.770  -0.424  -2.656
   62    HB   ILE  10           HB       ILE  10  10.052   1.282  -3.573
   63   1HG1  ILE  10          HG12      ILE  10  10.129   0.998  -5.928
   64   2HG1  ILE  10          HG11      ILE  10  11.764   0.918  -5.349
   65   1HG2  ILE  10          HG22      ILE  10  11.116  -0.229  -1.984
   66   2HG2  ILE  10          HG21      ILE  10  11.769  -1.189  -3.274
   67   3HG2  ILE  10          HG23      ILE  10  12.311   0.469  -3.069
   68   1HD1  ILE  10           HD2      ILE  10  11.694  -1.611  -5.481
   69   2HD1  ILE  10           HD1      ILE  10  10.050  -1.513  -6.095
   70   3HD1  ILE  10           HD3      ILE  10  11.373  -0.878  -7.042
   71    H    CYS  11           HN       CYS  11   6.753  -1.415  -3.657
   72    HA   CYS  11           HA       CYS  11   5.697  -0.705  -6.142
   73   1HB   CYS  11           HB2      CYS  11   3.562  -1.346  -5.184
   74   2HB   CYS  11           HB1      CYS  11   4.787  -2.357  -4.485
   75    HG   CYS  11           HG1      CYS  11   3.323  -0.072  -2.992
   76    H    SER  12           HN       SER  12   6.114   1.295  -6.638
   77    HA   SER  12           HA       SER  12   5.741   3.781  -5.395
   78   1HB   SER  12           HB2      SER  12   6.555   3.367  -7.799
   79   2HB   SER  12           HB1      SER  12   4.844   3.236  -8.235
   80    HG   SER  12           HG1      SER  12   5.911   5.418  -8.321
   81    H    LEU  13           HN       LEU  13   4.399   5.590  -6.037
   82    HA   LEU  13           HA       LEU  13   2.076   5.505  -4.395
   83   1HB   LEU  13           HB2      LEU  13   3.177   7.639  -5.067
   84   2HB   LEU  13           HB1      LEU  13   2.802   7.345  -6.749
   85    HG   LEU  13           HG       LEU  13   0.353   7.552  -6.265
   86   1HD1  LEU  13          HD11      LEU  13   1.305   8.176  -3.421
   87   2HD1  LEU  13          HD13      LEU  13  -0.345   8.301  -4.017
   88   3HD1  LEU  13          HD12      LEU  13   0.412   6.735  -3.898
   89   1HD2  LEU  13          HD21      LEU  13   1.705   9.570  -6.816
   90   2HD2  LEU  13          HD23      LEU  13   0.402   9.950  -5.711
   91   3HD2  LEU  13          HD22      LEU  13   2.048   9.814  -5.110
   92    OH   TYR  14           OH       TYR  14   6.348   5.759 -10.237
   93    H    TYR  14           HN       TYR  14   2.295   5.404  -7.821
   94    HA   TYR  14           HA       TYR  14  -0.498   4.916  -8.344
   95   1HB   TYR  14           HB2      TYR  14   0.676   3.522 -10.464
   96   2HB   TYR  14           HB1      TYR  14   0.316   5.226 -10.453
   97    HD1  TYR  14           HD1      TYR  14   2.035   6.796  -9.512
   98    HD2  TYR  14           HD2      TYR  14   2.937   2.820 -10.670
   99    HE1  TYR  14           HE1      TYR  14   4.422   7.371  -9.614
  100    HE2  TYR  14           HE2      TYR  14   5.324   3.391 -10.779
  101    HH   TYR  14           HH       TYR  14   6.529   6.043 -11.139
  102    H    GLN  15           HN       GLN  15   1.954   2.808  -7.007
  103    HA   GLN  15           HA       GLN  15   0.150   0.554  -7.658
  104   1HB   GLN  15           HB2      GLN  15   2.676   0.598  -5.949
  105   2HB   GLN  15           HB1      GLN  15   1.803  -0.864  -6.416
  106   1HG   GLN  15           HG2      GLN  15   2.193  -0.358  -8.852
  107   2HG   GLN  15           HG1      GLN  15   3.091   1.083  -8.421
  108   1HE2  GLN  15          HE21      GLN  15   4.937  -2.400  -7.596
  109   2HE2  GLN  15          HE22      GLN  15   3.273  -2.364  -7.242
  110    H    LEU  16           HN       LEU  16   1.237   2.186  -4.954
  111    HA   LEU  16           HA       LEU  16  -0.299   0.897  -3.005
  112   1HB   LEU  16           HB2      LEU  16   0.571   3.841  -3.180
  113   2HB   LEU  16           HB1      LEU  16  -0.146   3.201  -1.723
  114    HG   LEU  16           HG       LEU  16   2.410   2.105  -3.061
  115   1HD1  LEU  16          HD11      LEU  16   2.008   3.565  -0.429
  116   2HD1  LEU  16          HD13      LEU  16   3.525   2.911  -1.026
  117   3HD1  LEU  16          HD12      LEU  16   2.757   4.243  -1.875
  118   1HD2  LEU  16          HD22      LEU  16   1.111   1.288  -0.396
  119   2HD2  LEU  16          HD21      LEU  16   1.177   0.280  -1.829
  120   3HD2  LEU  16          HD23      LEU  16   2.645   0.712  -1.005
  121    H    GLU  17           HN       GLU  17  -1.317   3.500  -5.184
  122    HA   GLU  17           HA       GLU  17  -4.017   3.815  -4.110
  123   1HB   GLU  17           HB2      GLU  17  -4.515   4.998  -6.199
  124   2HB   GLU  17           HB1      GLU  17  -2.927   5.464  -5.647
  125   1HG   GLU  17           HG2      GLU  17  -1.915   3.840  -7.193
  126   2HG   GLU  17           HG1      GLU  17  -3.475   3.419  -7.858
  127    H    ASN  18           HN       ASN  18  -2.776   1.752  -6.668
  128    HA   ASN  18           HA       ASN  18  -5.040   0.521  -7.707
  129   1HB   ASN  18           HB2      ASN  18  -2.663   0.022  -8.401
  130   2HB   ASN  18           HB1      ASN  18  -2.354  -0.735  -6.864
  131   1HD2  ASN  18          HD21      ASN  18  -4.756  -3.250  -8.610
  132   2HD2  ASN  18          HD22      ASN  18  -5.390  -1.835  -7.898
  133    OH   TYR  19           OH       TYR  19  -0.716  -4.126  -7.024
  134    H    TYR  19           HN       TYR  19  -3.667  -0.035  -4.663
  135    HA   TYR  19           HA       TYR  19  -5.742  -2.002  -3.735
  136   1HB   TYR  19           HB2      TYR  19  -3.159  -1.074  -2.296
  137   2HB   TYR  19           HB1      TYR  19  -3.995  -2.606  -2.076
  138    HD1  TYR  19           HD2      TYR  19  -4.542  -3.551  -4.752
  139    HD2  TYR  19           HD1      TYR  19  -1.077  -1.504  -3.362
  140    HE1  TYR  19           HE2      TYR  19  -3.208  -4.525  -6.576
  141    HE2  TYR  19           HE1      TYR  19   0.222  -2.504  -5.201
  142    HH   TYR  19           HH       TYR  19  -1.157  -3.721  -7.789
  143    H    CYS  20           HN       CYS  20  -4.470   1.124  -3.159
  144    HA   CYS  20           HA       CYS  20  -6.509   1.989  -1.136
  145   1HB   CYS  20           HB2      CYS  20  -4.144   2.338  -0.722
  146   2HB   CYS  20           HB1      CYS  20  -3.985   3.248  -2.189
  147    HG   CYS  20           HG1      CYS  20  -4.896   5.253  -1.117
  148    H    ASN  21           HN       ASN  21  -7.847   1.540  -3.007
  149    HA   ASN  21           HA       ASN  21  -8.199   2.715  -5.440
  150   1HB   ASN  21           HB2      ASN  21 -10.374   2.413  -3.311
  151   2HB   ASN  21           HB1      ASN  21 -10.619   2.363  -5.040
  152   1HD2  ASN  21          HD21      ASN  21  -8.399  -0.778  -4.653
  153   2HD2  ASN  21          HD22      ASN  21  -7.755   0.770  -4.934
  154    H    PHE   1           HN       PHE   1   9.711   9.479  -4.813
  155    HA   PHE   1           HA       PHE   1   9.080   7.511  -3.225
  156   1HB   PHE   1           HB2      PHE   1   7.568   7.821  -5.862
  157   2HB   PHE   1           HB1      PHE   1   6.901   7.135  -4.396
  158    HD1  PHE   1           HD1      PHE   1   8.087  10.225  -5.990
  159    HD2  PHE   1           HD2      PHE   1   6.301   8.559  -2.519
  160    HE1  PHE   1           HE1      PHE   1   7.496  12.486  -5.214
  161    HE2  PHE   1           HE2      PHE   1   5.702  10.813  -1.738
  162    HZ   PHE   1           HZ       PHE   1   6.301  12.778  -3.084
  163    H    VAL   2           HN       VAL   2  11.281   6.341  -4.206
  164    HA   VAL   2           HA       VAL   2  10.388   3.825  -5.324
  165    HB   VAL   2           HB       VAL   2  12.493   3.490  -6.159
  166   1HG1  VAL   2          HG12      VAL   2  10.776   4.530  -7.623
  167   2HG1  VAL   2          HG11      VAL   2  11.177   6.128  -7.027
  168   3HG1  VAL   2          HG13      VAL   2  12.318   5.253  -8.032
  169   1HG2  VAL   2          HG22      VAL   2  13.083   6.389  -5.298
  170   2HG2  VAL   2          HG21      VAL   2  13.922   4.950  -4.733
  171   3HG2  VAL   2          HG23      VAL   2  14.107   5.480  -6.387
  172    H    ASN   3           HN       ASN   3  10.357   4.071  -2.697
  173    HA   ASN   3           HA       ASN   3  12.431   2.158  -1.657
  174   1HB   ASN   3           HB2      ASN   3  12.418   3.453   0.528
  175   2HB   ASN   3           HB1      ASN   3  12.950   4.433  -0.830
  176   1HD2  ASN   3          HD21      ASN   3  10.378   6.689  -0.165
  177   2HD2  ASN   3          HD22      ASN   3  11.961   6.467  -0.768
  178    H    GLN   4           HN       GLN   4   9.297   3.070  -1.387
  179    HA   GLN   4           HA       GLN   4   7.779   2.242   0.402
  180   1HB   GLN   4           HB2      GLN   4   7.438   0.755  -2.164
  181   2HB   GLN   4           HB1      GLN   4   6.231   1.022  -0.958
  182   1HG   GLN   4           HG2      GLN   4   5.792   2.670  -2.703
  183   2HG   GLN   4           HG1      GLN   4   6.454   3.545  -1.346
  184   1HE2  GLN   4          HE21      GLN   4   8.537   3.462  -4.762
  185   2HE2  GLN   4          HE22      GLN   4   7.294   2.324  -4.585
  186    H    HIS   5           HN       HIS   5   9.311   0.985   1.708
  187    HA   HIS   5           HA       HIS   5   8.611  -1.955   1.880
  188   1HB   HIS   5           HB2      HIS   5  11.076  -0.393   2.734
  189   2HB   HIS   5           HB1      HIS   5  10.680  -1.836   3.644
  190    HD1  HIS   5           HD1      HIS   5  11.172  -0.874   0.129
  191    HD2  HIS   5           HD2      HIS   5  11.656  -4.134   2.483
  192    HE1  HIS   5           HE1      HIS   5  12.272  -2.605  -1.310
  193    H    LEU   6           HN       LEU   6   6.624  -0.914   2.638
  194    HA   LEU   6           HA       LEU   6   6.529  -0.336   5.585
  195   1HB   LEU   6           HB2      LEU   6   4.705   0.343   3.262
  196   2HB   LEU   6           HB1      LEU   6   4.216   0.571   4.921
  197    HG   LEU   6           HG       LEU   6   5.820   2.337   5.299
  198   1HD1  LEU   6          HD11      LEU   6   7.018   1.687   2.581
  199   2HD1  LEU   6          HD13      LEU   6   7.453   3.060   3.589
  200   3HD1  LEU   6          HD12      LEU   6   7.802   1.449   4.142
  201   1HD2  LEU   6          HD21      LEU   6   3.845   2.971   3.900
  202   2HD2  LEU   6          HD23      LEU   6   5.247   3.919   3.462
  203   3HD2  LEU   6          HD22      LEU   6   4.745   2.575   2.453
  204    H    CYS   7           HN       CYS   7   6.209  -2.225   6.560
  205    HA   CYS   7           HA       CYS   7   4.190  -4.152   5.422
  206   1HB   CYS   7           HB2      CYS   7   6.663  -4.749   5.568
  207   2HB   CYS   7           HB1      CYS   7   6.455  -4.840   7.305
  208    HG   CYS   7           HG1      CYS   7   6.008  -7.061   5.467
  209    H    GLY   8           HN       GLY   8   2.638  -2.741   6.523
  210   1HA   GLY   8           HA2      GLY   8   0.930  -3.773   8.244
  211   2HA   GLY   8           HA1      GLY   8   2.208  -3.438   9.397
  212    H    ASP   9           HN       ASP   9   2.142  -1.677  10.412
  213    HA   ASP   9           HA       ASP   9  -0.038   0.086  10.443
  214   1HB   ASP   9           HB2      ASP   9   1.487   1.294  12.088
  215   2HB   ASP   9           HB1      ASP   9   1.772  -0.432  12.267
  216    H    HIS  10           HN       HIS  10   3.150   0.799   9.143
  217    HA   HIS  10           HA       HIS  10   2.204   3.355   8.047
  218   1HB   HIS  10           HB2      HIS  10   4.633   2.415   8.758
  219   2HB   HIS  10           HB1      HIS  10   4.737   2.090   7.025
  220    HD1  HIS  10           HD1      HIS  10   3.545   4.830   9.180
  221    HD2  HIS  10           HD2      HIS  10   5.579   4.451   5.687
  222    HE1  HIS  10           HE1      HIS  10   4.104   7.165   8.421
  223    H    LEU  11           HN       LEU  11   1.645   0.311   7.085
  224    HA   LEU  11           HA       LEU  11   1.521   0.885   4.147
  225   1HB   LEU  11           HB2      LEU  11   2.367  -1.343   5.050
  226   2HB   LEU  11           HB1      LEU  11   0.789  -1.646   5.749
  227    HG   LEU  11           HG       LEU  11  -0.210  -1.500   3.436
  228   1HD1  LEU  11          HD11      LEU  11   2.747  -1.536   2.635
  229   2HD1  LEU  11          HD13      LEU  11   1.398  -1.673   1.539
  230   3HD1  LEU  11          HD12      LEU  11   1.672  -0.176   2.377
  231   1HD2  LEU  11          HD22      LEU  11   2.048  -3.498   3.911
  232   2HD2  LEU  11          HD21      LEU  11   0.421  -3.665   4.543
  233   3HD2  LEU  11          HD23      LEU  11   0.713  -3.754   2.821
  234    H    VAL  12           HN       VAL  12  -0.584  -0.144   6.809
  235    HA   VAL  12           HA       VAL  12  -3.095   0.286   5.502
  236    HB   VAL  12           HB       VAL  12  -3.027  -0.769   7.811
  237   1HG1  VAL  12          HG12      VAL  12  -1.184   0.462   8.671
  238   2HG1  VAL  12          HG11      VAL  12  -2.129   1.935   8.852
  239   3HG1  VAL  12          HG13      VAL  12  -2.526   0.524   9.781
  240   1HG2  VAL  12          HG21      VAL  12  -5.060   0.631   7.052
  241   2HG2  VAL  12          HG23      VAL  12  -4.854   0.681   8.803
  242   3HG2  VAL  12          HG22      VAL  12  -4.340   2.029   7.816
  243    H    GLU  13           HN       GLU  13  -1.177   2.535   7.514
  244    HA   GLU  13           HA       GLU  13  -2.703   4.848   7.207
  245   1HB   GLU  13           HB2      GLU  13  -0.994   4.411   8.905
  246   2HB   GLU  13           HB1      GLU  13   0.247   4.221   7.676
  247   1HG   GLU  13           HG2      GLU  13   0.292   6.459   8.691
  248   2HG   GLU  13           HG1      GLU  13  -0.109   6.560   6.974
  249    H    ALA  14           HN       ALA  14  -0.091   3.431   5.293
  250    HA   ALA  14           HA       ALA  14   0.106   5.570   3.584
  251   1HB   ALA  14           HB1      ALA  14   0.437   2.564   2.858
  252   2HB   ALA  14           HB3      ALA  14   1.030   3.857   1.838
  253   3HB   ALA  14           HB2      ALA  14   1.725   3.617   3.420
  254    H    LEU  15           HN       LEU  15  -1.943   2.805   3.373
  255    HA   LEU  15           HA       LEU  15  -3.444   3.942   1.095
  256   1HB   LEU  15           HB2      LEU  15  -4.233   1.594   2.787
  257   2HB   LEU  15           HB1      LEU  15  -4.833   1.962   1.193
  258    HG   LEU  15           HG       LEU  15  -2.298   0.634   2.115
  259   1HD1  LEU  15          HD11      LEU  15  -4.207   0.301  -0.246
  260   2HD1  LEU  15          HD13      LEU  15  -2.900  -0.787   0.105
  261   3HD1  LEU  15          HD12      LEU  15  -4.213  -0.630   1.243
  262   1HD2  LEU  15          HD21      LEU  15  -1.318   2.512   0.815
  263   2HD2  LEU  15          HD23      LEU  15  -1.098   0.985   0.013
  264   3HD2  LEU  15          HD22      LEU  15  -2.276   2.107  -0.585
  265    OH   TYR  16           OH       TYR  16  -7.972   9.229   9.342
  266    H    TYR  16           HN       TYR  16  -3.406   5.404   3.551
  267    HA   TYR  16           HA       TYR  16  -6.326   5.814   4.129
  268   1HB   TYR  16           HB2      TYR  16  -5.001   4.930   6.168
  269   2HB   TYR  16           HB1      TYR  16  -3.906   6.279   5.990
  270    HD1  TYR  16           HD2      TYR  16  -7.418   7.170   5.367
  271    HD2  TYR  16           HD1      TYR  16  -4.370   6.728   8.311
  272    HE1  TYR  16           HE2      TYR  16  -8.696   8.578   6.939
  273    HE2  TYR  16           HE1      TYR  16  -5.657   8.119   9.840
  274    HH   TYR  16           HH       TYR  16  -7.298   9.695   9.840
  275    H    LEU  17           HN       LEU  17  -3.136   7.117   4.129
  276    HA   LEU  17           HA       LEU  17  -3.819   9.906   3.661
  277   1HB   LEU  17           HB2      LEU  17  -1.806   8.951   4.885
  278   2HB   LEU  17           HB1      LEU  17  -1.177   8.356   3.374
  279    HG   LEU  17           HG       LEU  17  -1.735  11.324   3.883
  280   1HD1  LEU  17          HD11      LEU  17   0.854   9.706   4.121
  281   2HD1  LEU  17          HD13      LEU  17   0.734  11.450   4.301
  282   3HD1  LEU  17          HD12      LEU  17  -0.041  10.386   5.464
  283   1HD2  LEU  17          HD22      LEU  17   0.036   9.877   1.841
  284   2HD2  LEU  17          HD21      LEU  17  -1.484  10.664   1.457
  285   3HD2  LEU  17          HD23      LEU  17  -0.131  11.617   1.999
  286    H    VAL  18           HN       VAL  18  -2.429   7.352   1.539
  287    HA   VAL  18           HA       VAL  18  -2.257   8.698  -0.925
  288    HB   VAL  18           HB       VAL  18  -2.984   5.851  -0.183
  289   1HG1  VAL  18          HG11      VAL  18  -2.453   6.966  -3.001
  290   2HG1  VAL  18          HG13      VAL  18  -2.626   5.265  -2.601
  291   3HG1  VAL  18          HG12      VAL  18  -3.990   6.342  -2.465
  292   1HG2  VAL  18          HG21      VAL  18  -0.726   6.660   0.271
  293   2HG2  VAL  18          HG23      VAL  18  -0.721   5.438  -0.992
  294   3HG2  VAL  18          HG22      VAL  18  -0.546   7.143  -1.412
  295    H    CYS  19           HN       CYS  19  -4.840   6.643  -0.042
  296    HA   CYS  19           HA       CYS  19  -6.962   8.383  -1.230
  297   1HB   CYS  19           HB2      CYS  19  -7.968   6.430  -2.167
  298   2HB   CYS  19           HB1      CYS  19  -6.259   6.272  -2.522
  299    HG   CYS  19           HG1      CYS  19  -7.879   4.485  -0.700
  300    H    GLY  20           HN       GLY  20  -8.685   8.570   0.286
  301   1HA   GLY  20           HA2      GLY  20  -8.660   6.684   2.610
  302   2HA   GLY  20           HA1      GLY  20  -8.658   8.415   2.939
  303    H    GLU  21           HN       GLU  21 -10.182   6.505   0.634
  304    HA   GLU  21           HA       GLU  21 -12.961   7.227   1.359
  305   1HB   GLU  21           HB2      GLU  21 -13.248   6.616  -1.207
  306   2HB   GLU  21           HB1      GLU  21 -12.628   8.172  -0.716
  307   1HG   GLU  21           HG2      GLU  21 -11.319   7.031  -2.643
  308   2HG   GLU  21           HG1      GLU  21 -10.310   7.533  -1.320
  309    NH1  ARG  22           NH2      ARG  22  -8.160   2.355   2.599
  310    NH2  ARG  22           NH1      ARG  22  -8.103   4.182   1.408
  311    H    ARG  22           HN       ARG  22 -11.217   4.282   0.215
  312    HA   ARG  22           HA       ARG  22 -13.628   2.814   0.691
  313   1HB   ARG  22           HB2      ARG  22 -12.922   1.359  -1.000
  314   2HB   ARG  22           HB1      ARG  22 -12.090   2.803  -1.459
  315   1HG   ARG  22           HG2      ARG  22 -10.769   0.446   0.035
  316   2HG   ARG  22           HG1      ARG  22 -10.613   0.853  -1.628
  317   1HD   ARG  22           HD2      ARG  22  -8.619   1.666  -0.523
  318   2HD   ARG  22           HD1      ARG  22  -9.564   2.990  -1.154
  319    HE   ARG  22           HE       ARG  22 -10.451   3.102   1.429
  320   1HH1  ARG  22          HH22      ARG  22  -8.580   1.502   2.873
  321   2HH1  ARG  22          HH21      ARG  22  -7.329   2.683   3.042
  322   1HH2  ARG  22          HH12      ARG  22  -8.580   4.664   0.681
  323   2HH2  ARG  22          HH11      ARG  22  -7.295   4.570   1.837
  324    H    GLY  23           HN       GLY  23 -12.644   0.460   0.920
  325   1HA   GLY  23           HA2      GLY  23 -11.628   0.289   3.783
  326   2HA   GLY  23           HA1      GLY  23 -12.627  -0.943   3.057
  327    H    PHE  24           HN       PHE  24  -9.757   0.372   1.516
  328    HA   PHE  24           HA       PHE  24  -7.683  -0.656   0.963
  329   1HB   PHE  24           HB2      PHE  24  -8.272  -2.471   3.362
  330   2HB   PHE  24           HB1      PHE  24  -6.702  -2.162   2.669
  331    HD1  PHE  24           HD1      PHE  24  -5.626   0.057   2.949
  332    HD2  PHE  24           HD2      PHE  24  -9.327  -0.852   4.805
  333    HE1  PHE  24           HE1      PHE  24  -5.371   2.023   4.444
  334    HE2  PHE  24           HE2      PHE  24  -9.080   1.094   6.280
  335    HZ   PHE  24           HZ       PHE  24  -7.091   2.530   6.095
  336    H    PHE  25           HN       PHE  25  -8.098  -1.626  -1.104
  337    HA   PHE  25           HA       PHE  25  -9.362  -4.323  -1.126
  338   1HB   PHE  25           HB2      PHE  25  -9.947  -2.577  -2.880
  339   2HB   PHE  25           HB1      PHE  25  -8.278  -2.609  -3.423
  340    HD1  PHE  25           HD1      PHE  25 -10.899  -5.159  -2.570
  341    HD2  PHE  25           HD2      PHE  25  -7.933  -3.892  -5.332
  342    HE1  PHE  25           HE1      PHE  25 -11.407  -7.093  -3.991
  343    HE2  PHE  25           HE2      PHE  25  -8.439  -5.826  -6.763
  344    HZ   PHE  25           HZ       PHE  25 -10.178  -7.432  -6.094
  345    OH   TYR  26           OH       TYR  26  -5.647  -5.680   5.983
  346    H    TYR  26           HN       TYR  26  -7.622  -5.133   0.205
  347    HA   TYR  26           HA       TYR  26  -5.386  -6.200  -1.477
  348   1HB   TYR  26           HB2      TYR  26  -3.729  -5.632   0.175
  349   2HB   TYR  26           HB1      TYR  26  -4.772  -4.232   0.105
  350    HD1  TYR  26           HD1      TYR  26  -6.912  -4.451   1.835
  351    HD2  TYR  26           HD2      TYR  26  -3.130  -6.335   2.302
  352    HE1  TYR  26           HE1      TYR  26  -7.296  -4.629   4.245
  353    HE2  TYR  26           HE2      TYR  26  -3.548  -6.499   4.735
  354    HH   TYR  26           HH       TYR  26  -6.581  -5.516   6.121
  355    H    THR  27           HN       THR  27  -3.998  -7.686  -0.077
  356    HA   THR  27           HA       THR  27  -4.180  -9.592   1.651
  357    HB   THR  27           HB       THR  27  -6.640 -10.007   1.493
  358    HG1  THR  27           HG1      THR  27  -6.435 -12.243   1.066
  359   1HG2  THR  27          HG22      THR  27  -6.923  -9.820  -1.100
  360   2HG2  THR  27          HG21      THR  27  -6.126 -11.379  -1.208
  361   3HG2  THR  27          HG23      THR  27  -7.627 -11.227  -0.339
  362    HA   PRO  28           HA       PRO  28  -4.482 -12.457  -2.521
  363   1HB   PRO  28           HB2      PRO  28  -1.724 -11.267  -2.985
  364   2HB   PRO  28           HB1      PRO  28  -2.711 -12.212  -4.104
  365   1HG   PRO  28           HG2      PRO  28  -2.888  -9.581  -4.361
  366   2HG   PRO  28           HG1      PRO  28  -4.423 -10.443  -4.216
  367   1HD   PRO  28           HD1      PRO  28  -2.897  -8.947  -2.044
  368   2HD   PRO  28           HD2      PRO  28  -4.642  -8.897  -2.407
  369    H    LYS  29           HN       LYS  29  -4.277 -12.724   0.140
  370    HA   LYS  29           HA       LYS  29  -2.324 -14.927   0.432
  371   1HB   LYS  29           HB2      LYS  29  -2.150 -12.352   1.699
  372   2HB   LYS  29           HB1      LYS  29  -2.776 -13.387   2.930
  373   1HG   LYS  29           HG2      LYS  29  -0.305 -13.361   3.050
  374   2HG   LYS  29           HG1      LYS  29  -0.878 -14.965   2.664
  375   1HD   LYS  29           HD2      LYS  29   1.088 -14.286   1.226
  376   2HD   LYS  29           HD1      LYS  29  -0.311 -14.660   0.248
  377   1HE   LYS  29           HE2      LYS  29  -0.782 -12.233  -0.005
  378   2HE   LYS  29           HE1      LYS  29   0.607 -11.857   1.001
  379   1HZ   LYS  29           HZ1      LYS  29   1.455 -13.717  -0.989
  380   2HZ   LYS  29           HZ3      LYS  29   0.685 -12.463  -1.767
  381   3HZ   LYS  29           HZ2      LYS  29   1.920 -12.144  -0.791
  382    H    THR  30           HN       THR  30  -5.032 -13.508   1.725
  383    HA   THR  30           HA       THR  30  -6.264 -16.176   2.428
  384    HB   THR  30           HB       THR  30  -5.485 -15.163   4.581
  385    HG1  THR  30           HG1      THR  30  -7.401 -15.819   5.304
  386   1HG2  THR  30          HG22      THR  30  -5.897 -12.672   3.884
  387   2HG2  THR  30          HG21      THR  30  -7.611 -13.037   3.947
  388   3HG2  THR  30          HG23      THR  30  -6.645 -13.150   5.400
   
  Start of MODEL           4
 Raw file had  388 H/Q atoms
  Start of MODEL    4
    1    H    GLY   1           HN       GLY   1  -2.143  -6.428  -4.279
    2   1HA   GLY   1           HA2      GLY   1  -3.418  -6.107  -2.069
    3   2HA   GLY   1           HA1      GLY   1  -2.676  -7.595  -1.546
    4    H    ILE   2           HN       ILE   2  -0.903  -5.184  -3.211
    5    HA   ILE   2           HA       ILE   2   0.863  -3.698  -2.530
    6    HB   ILE   2           HB       ILE   2   0.206  -4.088   0.430
    7   1HG1  ILE   2          HG12      ILE   2  -1.443  -2.031  -1.000
    8   2HG1  ILE   2          HG11      ILE   2  -2.066  -3.661  -1.025
    9   1HG2  ILE   2          HG21      ILE   2   0.794  -1.679  -1.324
   10   2HG2  ILE   2          HG23      ILE   2   0.606  -1.630   0.413
   11   3HG2  ILE   2          HG22      ILE   2   1.943  -2.498  -0.294
   12   1HD1  ILE   2           HD1      ILE   2  -1.207  -2.165   1.518
   13   2HD1  ILE   2           HD3      ILE   2  -2.865  -2.516   1.025
   14   3HD1  ILE   2           HD2      ILE   2  -1.789  -3.810   1.479
   15    H    VAL   3           HN       VAL   3   0.555  -5.892   0.081
   16    HA   VAL   3           HA       VAL   3   2.627  -6.556   1.293
   17    HB   VAL   3           HB       VAL   3   2.089  -9.113   0.889
   18   1HG1  VAL   3          HG11      VAL   3  -0.223  -7.201   1.283
   19   2HG1  VAL   3          HG13      VAL   3  -0.245  -8.866   1.751
   20   3HG1  VAL   3          HG12      VAL   3   0.827  -7.748   2.559
   21   1HG2  VAL   3          HG22      VAL   3   0.113  -7.775  -1.082
   22   2HG2  VAL   3          HG21      VAL   3   1.418  -8.808  -1.573
   23   3HG2  VAL   3          HG23      VAL   3   0.059  -9.441  -0.680
   24    H    GLU   4           HN       GLU   4   3.192  -9.247  -0.626
   25    HA   GLU   4           HA       GLU   4   5.965  -9.024  -0.360
   26   1HB   GLU   4           HB2      GLU   4   4.285 -10.664  -2.338
   27   2HB   GLU   4           HB1      GLU   4   5.934 -11.037  -1.904
   28   1HG   GLU   4           HG2      GLU   4   4.746 -12.464  -0.381
   29   2HG   GLU   4           HG1      GLU   4   4.986 -11.068   0.632
   30    H    GLN   5           HN       GLN   5   4.658  -6.867  -2.092
   31    HA   GLN   5           HA       GLN   5   6.894  -6.647  -4.087
   32   1HB   GLN   5           HB2      GLN   5   4.562  -7.202  -5.018
   33   2HB   GLN   5           HB1      GLN   5   4.005  -5.672  -4.370
   34   1HG   GLN   5           HG2      GLN   5   4.647  -5.302  -6.781
   35   2HG   GLN   5           HG1      GLN   5   5.810  -4.505  -5.749
   36   1HE2  GLN   5          HE21      GLN   5   7.172  -7.359  -8.113
   37   2HE2  GLN   5          HE22      GLN   5   5.491  -7.055  -8.093
   38    H    CYS   6           HN       CYS   6   4.628  -4.977  -1.913
   39    HA   CYS   6           HA       CYS   6   6.261  -2.485  -2.044
   40   1HB   CYS   6           HB2      CYS   6   3.718  -3.148  -0.638
   41   2HB   CYS   6           HB1      CYS   6   4.354  -1.540  -0.882
   42    HG   CYS   6           HG1      CYS   6   3.280  -1.401  -3.053
   43    H    CYS   7           HN       CYS   7   5.641  -5.042   0.190
   44    HA   CYS   7           HA       CYS   7   7.086  -3.609   2.387
   45   1HB   CYS   7           HB2      CYS   7   4.885  -4.221   2.901
   46   2HB   CYS   7           HB1      CYS   7   5.003  -5.775   2.179
   47    HG   CYS   7           HG1      CYS   7   6.138  -6.700   4.297
   48    H    THR   8           HN       THR   8   7.862  -5.518   0.046
   49    HA   THR   8           HA       THR   8  10.140  -6.885   1.446
   50    HB   THR   8           HB       THR   8   9.838  -8.844  -0.186
   51    HG1  THR   8           HG1      THR   8   8.191  -8.507  -1.599
   52   1HG2  THR   8          HG22      THR   8   8.550  -8.842   2.101
   53   2HG2  THR   8          HG21      THR   8   7.219  -8.110   1.230
   54   3HG2  THR   8          HG23      THR   8   7.757  -9.725   0.803
   55    H    SER   9           HN       SER   9   8.840  -5.931  -1.529
   56    HA   SER   9           HA       SER   9  11.513  -5.480  -2.837
   57   1HB   SER   9           HB2      SER   9  10.090  -7.184  -3.887
   58   2HB   SER   9           HB1      SER   9   8.741  -6.062  -3.935
   59    HG   SER   9           HG1      SER   9   9.478  -5.741  -5.823
   60    H    ILE  10           HN       ILE  10   9.825  -3.931  -4.860
   61    HA   ILE  10           HA       ILE  10   9.696  -1.286  -3.401
   62    HB   ILE  10           HB       ILE  10  10.975  -1.728  -6.129
   63   1HG1  ILE  10          HG12      ILE  10  12.142  -0.733  -3.478
   64   2HG1  ILE  10          HG11      ILE  10  12.253  -2.392  -3.994
   65   1HG2  ILE  10          HG21      ILE  10  10.537   0.798  -4.429
   66   2HG2  ILE  10          HG23      ILE  10  11.471   0.780  -5.919
   67   3HG2  ILE  10          HG22      ILE  10   9.748   0.492  -5.959
   68   1HD1  ILE  10           HD2      ILE  10  13.483  -1.704  -6.062
   69   2HD1  ILE  10           HD1      ILE  10  13.412  -0.022  -5.573
   70   3HD1  ILE  10           HD3      ILE  10  14.335  -1.170  -4.626
   71    H    CYS  11           HN       CYS  11   7.541  -1.235  -3.301
   72    HA   CYS  11           HA       CYS  11   6.134  -0.380  -5.773
   73   1HB   CYS  11           HB2      CYS  11   5.725  -2.561  -5.854
   74   2HB   CYS  11           HB1      CYS  11   5.725  -2.807  -4.136
   75    HG   CYS  11           HG1      CYS  11   3.267  -2.332  -5.854
   76    H    SER  12           HN       SER  12   5.521   1.664  -5.251
   77    HA   SER  12           HA       SER  12   4.206   2.085  -2.580
   78   1HB   SER  12           HB2      SER  12   5.320   4.104  -2.428
   79   2HB   SER  12           HB1      SER  12   6.451   3.093  -3.329
   80    HG   SER  12           HG1      SER  12   5.914   4.040  -5.207
   81    H    LEU  13           HN       LEU  13   3.707   4.726  -3.540
   82    HA   LEU  13           HA       LEU  13   1.112   5.241  -3.070
   83   1HB   LEU  13           HB2      LEU  13   2.595   7.025  -3.805
   84   2HB   LEU  13           HB1      LEU  13   2.890   6.266  -5.346
   85    HG   LEU  13           HG       LEU  13   0.547   6.788  -6.061
   86   1HD1  LEU  13          HD11      LEU  13   0.395   8.184  -3.347
   87   2HD1  LEU  13          HD13      LEU  13  -0.824   8.236  -4.607
   88   3HD1  LEU  13          HD12      LEU  13  -0.499   6.732  -3.778
   89   1HD2  LEU  13          HD21      LEU  13   2.392   8.446  -6.413
   90   2HD2  LEU  13          HD23      LEU  13   0.859   9.245  -6.122
   91   3HD2  LEU  13          HD22      LEU  13   2.052   9.147  -4.842
   92    OH   TYR  14           OH       TYR  14   6.705   3.056  -6.660
   93    H    TYR  14           HN       TYR  14   2.162   4.322  -6.000
   94    HA   TYR  14           HA       TYR  14  -0.449   3.941  -7.327
   95   1HB   TYR  14           HB2      TYR  14   1.071   2.186  -8.780
   96   2HB   TYR  14           HB1      TYR  14   1.161   3.917  -9.036
   97    HD1  TYR  14           HD2      TYR  14   2.985   5.228  -7.953
   98    HD2  TYR  14           HD1      TYR  14   2.884   0.991  -7.794
   99    HE1  TYR  14           HE2      TYR  14   5.346   5.188  -7.215
  100    HE2  TYR  14           HE1      TYR  14   5.230   0.964  -7.084
  101    HH   TYR  14           HH       TYR  14   7.195   3.532  -7.346
  102    H    GLN  15           HN       GLN  15   1.606   1.421  -5.696
  103    HA   GLN  15           HA       GLN  15  -0.852  -0.257  -5.938
  104   1HB   GLN  15           HB2      GLN  15   2.058  -0.715  -5.510
  105   2HB   GLN  15           HB1      GLN  15   1.033  -1.889  -4.706
  106   1HG   GLN  15           HG2      GLN  15   1.387  -2.880  -6.881
  107   2HG   GLN  15           HG1      GLN  15  -0.172  -2.115  -7.086
  108   1HE2  GLN  15          HE21      GLN  15   1.039  -0.062  -9.621
  109   2HE2  GLN  15          HE22      GLN  15  -0.329  -0.527  -8.707
  110    H    LEU  16           HN       LEU  16  -0.818   1.902  -4.207
  111    HA   LEU  16           HA       LEU  16  -1.523   0.574  -1.752
  112   1HB   LEU  16           HB2      LEU  16  -0.023   3.160  -2.341
  113   2HB   LEU  16           HB1      LEU  16  -1.189   3.286  -1.042
  114    HG   LEU  16           HG       LEU  16  -0.171   1.095  -0.094
  115   1HD1  LEU  16          HD12      LEU  16   1.091   0.295  -2.034
  116   2HD1  LEU  16          HD11      LEU  16   2.120   1.698  -1.959
  117   3HD1  LEU  16          HD13      LEU  16   2.138   0.527  -0.673
  118   1HD2  LEU  16          HD21      LEU  16   0.379   3.265   0.932
  119   2HD2  LEU  16          HD23      LEU  16   1.760   2.192   0.961
  120   3HD2  LEU  16          HD22      LEU  16   1.696   3.490  -0.216
  121    H    GLU  17           HN       GLU  17  -2.182   3.154  -4.082
  122    HA   GLU  17           HA       GLU  17  -4.886   3.683  -3.268
  123   1HB   GLU  17           HB2      GLU  17  -5.108   4.838  -5.392
  124   2HB   GLU  17           HB1      GLU  17  -3.425   5.026  -4.978
  125   1HG   GLU  17           HG2      GLU  17  -3.130   4.377  -7.184
  126   2HG   GLU  17           HG1      GLU  17  -3.250   2.772  -6.585
  127    H    ASN  18           HN       ASN  18  -3.598   1.521  -5.563
  128    HA   ASN  18           HA       ASN  18  -5.712   0.146  -6.653
  129   1HB   ASN  18           HB2      ASN  18  -2.948  -0.709  -5.740
  130   2HB   ASN  18           HB1      ASN  18  -3.925  -1.785  -6.727
  131   1HD2  ASN  18          HD21      ASN  18  -3.357   1.356  -9.021
  132   2HD2  ASN  18          HD22      ASN  18  -4.557   1.326  -7.840
  133    OH   TYR  19           OH       TYR  19  -1.992  -4.899  -5.512
  134    H    TYR  19           HN       TYR  19  -4.925   0.034  -3.404
  135    HA   TYR  19           HA       TYR  19  -6.775  -2.280  -2.866
  136   1HB   TYR  19           HB2      TYR  19  -4.380  -1.364  -1.156
  137   2HB   TYR  19           HB1      TYR  19  -5.349  -2.820  -0.906
  138    HD1  TYR  19           HD2      TYR  19  -5.517  -4.475  -2.732
  139    HD2  TYR  19           HD1      TYR  19  -2.681  -1.352  -2.767
  140    HE1  TYR  19           HE2      TYR  19  -4.220  -5.669  -4.456
  141    HE2  TYR  19           HE1      TYR  19  -1.368  -2.552  -4.494
  142    HH   TYR  19           HH       TYR  19  -2.165  -4.466  -6.355
  143    H    CYS  20           HN       CYS  20  -5.734   0.784  -1.899
  144    HA   CYS  20           HA       CYS  20  -8.092   1.514  -0.161
  145   1HB   CYS  20           HB2      CYS  20  -5.550   1.257   0.535
  146   2HB   CYS  20           HB1      CYS  20  -5.435   2.823  -0.217
  147    HG   CYS  20           HG1      CYS  20  -6.312   3.757   1.874
  148    H    ASN  21           HN       ASN  21  -9.304   1.890  -2.010
  149    HA   ASN  21           HA       ASN  21  -8.344   3.571  -4.227
  150   1HB   ASN  21           HB2      ASN  21 -11.254   2.899  -3.575
  151   2HB   ASN  21           HB1      ASN  21 -10.565   3.243  -5.141
  152   1HD2  ASN  21          HD21      ASN  21  -9.016  -0.205  -4.640
  153   2HD2  ASN  21          HD22      ASN  21  -8.179   1.239  -4.349
  154    H    PHE   1           HN       PHE   1   8.970   9.008  -6.302
  155    HA   PHE   1           HA       PHE   1   7.452   8.831  -3.734
  156   1HB   PHE   1           HB2      PHE   1   6.703   6.553  -4.641
  157   2HB   PHE   1           HB1      PHE   1   6.208   7.897  -5.647
  158    HD1  PHE   1           HD1      PHE   1   7.468   8.399  -7.749
  159    HD2  PHE   1           HD2      PHE   1   8.243   4.917  -5.450
  160    HE1  PHE   1           HE1      PHE   1   8.637   7.410  -9.662
  161    HE2  PHE   1           HE2      PHE   1   9.420   3.910  -7.365
  162    HZ   PHE   1           HZ       PHE   1   9.618   5.159  -9.479
  163    H    VAL   2           HN       VAL   2  10.016   9.223  -3.221
  164    HA   VAL   2           HA       VAL   2  11.513   6.826  -3.070
  165    HB   VAL   2           HB       VAL   2  12.517   8.735  -3.494
  166   1HG1  VAL   2          HG12      VAL   2  11.101  10.471  -2.275
  167   2HG1  VAL   2          HG11      VAL   2  11.646   9.823  -0.738
  168   3HG1  VAL   2          HG13      VAL   2  12.767  10.669  -1.780
  169   1HG2  VAL   2          HG21      VAL   2  13.905   7.202  -2.210
  170   2HG2  VAL   2          HG23      VAL   2  14.356   8.829  -1.728
  171   3HG2  VAL   2          HG22      VAL   2  13.331   7.861  -0.690
  172    H    ASN   3           HN       ASN   3  10.180   5.674  -2.111
  173    HA   ASN   3           HA       ASN   3  10.181   5.488   0.871
  174   1HB   ASN   3           HB2      ASN   3   7.696   4.680   0.639
  175   2HB   ASN   3           HB1      ASN   3   7.967   6.360   0.212
  176   1HD2  ASN   3          HD21      ASN   3   6.571   5.607  -2.917
  177   2HD2  ASN   3          HD22      ASN   3   6.666   6.765  -1.650
  178    H    GLN   4           HN       GLN   4   9.803   3.774  -1.904
  179    HA   GLN   4           HA       GLN   4   9.994   1.530  -2.592
  180   1HB   GLN   4           HB2      GLN   4  12.462   2.201  -0.972
  181   2HB   GLN   4           HB1      GLN   4  12.387   0.691  -1.836
  182   1HG   GLN   4           HG2      GLN   4  13.510   2.646  -3.113
  183   2HG   GLN   4           HG1      GLN   4  12.235   1.899  -4.035
  184   1HE2  GLN   4          HE21      GLN   4  10.414   4.904  -4.128
  185   2HE2  GLN   4          HE22      GLN   4  10.542   3.309  -4.699
  186    H    HIS   5           HN       HIS   5  10.953   1.183   0.804
  187    HA   HIS   5           HA       HIS   5   9.532  -1.470   0.805
  188   1HB   HIS   5           HB2      HIS   5  11.785  -0.716   2.692
  189   2HB   HIS   5           HB1      HIS   5  11.260  -2.320   2.212
  190    HD1  HIS   5           HD1      HIS   5  11.472  -2.252  -0.761
  191    HD2  HIS   5           HD2      HIS   5  14.201  -0.332   1.588
  192    HE1  HIS   5           HE1      HIS   5  13.526  -1.988  -2.123
  193    H    LEU   6           HN       LEU   6   7.556  -0.767   1.475
  194    HA   LEU   6           HA       LEU   6   7.320   0.356   4.257
  195   1HB   LEU   6           HB2      LEU   6   5.692   0.696   1.742
  196   2HB   LEU   6           HB1      LEU   6   4.875   0.850   3.278
  197    HG   LEU   6           HG       LEU   6   6.392   2.664   3.971
  198   1HD1  LEU   6          HD11      LEU   6   7.640   2.338   1.197
  199   2HD1  LEU   6          HD13      LEU   6   7.990   3.623   2.350
  200   3HD1  LEU   6          HD12      LEU   6   8.436   1.997   2.718
  201   1HD2  LEU   6          HD22      LEU   6   5.235   3.026   1.181
  202   2HD2  LEU   6          HD21      LEU   6   4.348   3.188   2.691
  203   3HD2  LEU   6          HD23      LEU   6   5.623   4.329   2.303
  204    H    CYS   7           HN       CYS   7   6.722  -1.113   5.735
  205    HA   CYS   7           HA       CYS   7   5.073  -3.459   4.836
  206   1HB   CYS   7           HB2      CYS   7   7.489  -3.744   5.683
  207   2HB   CYS   7           HB1      CYS   7   6.866  -3.380   7.276
  208    HG   CYS   7           HG1      CYS   7   5.853  -5.660   7.411
  209    H    GLY   8           HN       GLY   8   4.033  -4.559   6.757
  210   1HA   GLY   8           HA2      GLY   8   1.760  -4.317   7.673
  211   2HA   GLY   8           HA1      GLY   8   2.882  -3.984   8.985
  212    H    ASP   9           HN       ASP   9   2.793  -2.368   9.948
  213    HA   ASP   9           HA       ASP   9   0.583  -0.612  10.030
  214   1HB   ASP   9           HB2      ASP   9   2.301   0.536  11.750
  215   2HB   ASP   9           HB1      ASP   9   1.930  -1.153  12.058
  216    H    HIS  10           HN       HIS  10   3.828   0.239   9.290
  217    HA   HIS  10           HA       HIS  10   3.510   2.905   8.390
  218   1HB   HIS  10           HB2      HIS  10   5.662   1.657   8.709
  219   2HB   HIS  10           HB1      HIS  10   5.366   0.775   7.216
  220    HD1  HIS  10           HD1      HIS  10   7.752   2.149   6.815
  221    HD2  HIS  10           HD2      HIS  10   4.346   4.352   6.521
  222    HE1  HIS  10           HE1      HIS  10   8.350   4.206   5.533
  223    H    LEU  11           HN       LEU  11   3.231   0.022   6.548
  224    HA   LEU  11           HA       LEU  11   2.503   1.139   4.011
  225   1HB   LEU  11           HB2      LEU  11   3.409  -1.190   4.491
  226   2HB   LEU  11           HB1      LEU  11   1.862  -1.613   5.185
  227    HG   LEU  11           HG       LEU  11   0.791  -1.082   2.931
  228   1HD1  LEU  11          HD11      LEU  11   3.743  -0.899   2.120
  229   2HD1  LEU  11          HD13      LEU  11   2.410  -0.846   1.010
  230   3HD1  LEU  11          HD12      LEU  11   2.643   0.460   2.127
  231   1HD2  LEU  11          HD21      LEU  11   1.501  -3.393   3.615
  232   2HD2  LEU  11          HD23      LEU  11   1.688  -3.151   1.891
  233   3HD2  LEU  11          HD22      LEU  11   3.090  -3.074   2.936
  234    H    VAL  12           HN       VAL  12   0.360  -0.370   6.491
  235    HA   VAL  12           HA       VAL  12  -2.065   0.317   5.131
  236    HB   VAL  12           HB       VAL  12  -2.257  -1.121   7.130
  237   1HG1  VAL  12          HG11      VAL  12  -1.355   1.293   8.753
  238   2HG1  VAL  12          HG13      VAL  12  -1.896  -0.238   9.385
  239   3HG1  VAL  12          HG12      VAL  12  -0.465  -0.173   8.388
  240   1HG2  VAL  12          HG21      VAL  12  -4.176   0.476   6.523
  241   2HG2  VAL  12          HG23      VAL  12  -4.131   0.154   8.256
  242   3HG2  VAL  12          HG22      VAL  12  -3.511   1.660   7.623
  243    H    GLU  13           HN       GLU  13  -0.352   2.245   7.631
  244    HA   GLU  13           HA       GLU  13  -2.088   4.482   7.577
  245   1HB   GLU  13           HB2      GLU  13   0.897   4.178   8.067
  246   2HB   GLU  13           HB1      GLU  13   0.138   5.760   8.146
  247   1HG   GLU  13           HG2      GLU  13  -1.553   4.751   9.832
  248   2HG   GLU  13           HG1      GLU  13  -0.551   3.309   9.847
  249    H    ALA  14           HN       ALA  14   0.579   3.645   5.465
  250    HA   ALA  14           HA       ALA  14   0.405   6.021   4.014
  251   1HB   ALA  14           HB1      ALA  14   1.497   3.213   3.259
  252   2HB   ALA  14           HB3      ALA  14   1.905   4.651   2.335
  253   3HB   ALA  14           HB2      ALA  14   2.448   4.481   3.997
  254    H    LEU  15           HN       LEU  15  -0.934   2.864   3.260
  255    HA   LEU  15           HA       LEU  15  -2.270   4.011   0.914
  256   1HB   LEU  15           HB2      LEU  15  -3.580   1.953   0.834
  257   2HB   LEU  15           HB1      LEU  15  -1.872   1.680   0.983
  258    HG   LEU  15           HG       LEU  15  -2.071   0.904   3.224
  259   1HD1  LEU  15          HD11      LEU  15  -5.125   1.142   2.824
  260   2HD1  LEU  15          HD13      LEU  15  -4.332   0.376   4.177
  261   3HD1  LEU  15          HD12      LEU  15  -4.255   2.095   4.003
  262   1HD2  LEU  15          HD21      LEU  15  -2.283  -0.483   1.322
  263   2HD2  LEU  15          HD23      LEU  15  -3.288  -1.111   2.626
  264   3HD2  LEU  15          HD22      LEU  15  -4.018  -0.260   1.265
  265    OH   TYR  16           OH       TYR  16  -9.610   7.324   8.003
  266    H    TYR  16           HN       TYR  16  -3.249   3.804   4.283
  267    HA   TYR  16           HA       TYR  16  -6.017   4.495   3.949
  268   1HB   TYR  16           HB2      TYR  16  -4.987   3.742   6.157
  269   2HB   TYR  16           HB1      TYR  16  -4.107   5.263   6.247
  270    HD1  TYR  16           HD1      TYR  16  -5.379   7.422   6.444
  271    HD2  TYR  16           HD2      TYR  16  -7.357   3.662   6.617
  272    HE1  TYR  16           HE1      TYR  16  -7.407   8.510   7.367
  273    HE2  TYR  16           HE2      TYR  16  -9.368   4.786   7.539
  274    HH   TYR  16           HH       TYR  16  -9.620   7.132   8.944
  275    H    LEU  17           HN       LEU  17  -3.096   6.400   4.258
  276    HA   LEU  17           HA       LEU  17  -4.281   9.011   4.048
  277   1HB   LEU  17           HB2      LEU  17  -1.897   8.458   4.760
  278   2HB   LEU  17           HB1      LEU  17  -1.539   7.920   3.146
  279    HG   LEU  17           HG       LEU  17  -1.985  10.256   2.289
  280   1HD1  LEU  17          HD11      LEU  17  -2.076  10.869   5.288
  281   2HD1  LEU  17          HD13      LEU  17  -2.064  12.060   4.004
  282   3HD1  LEU  17          HD12      LEU  17  -3.447  11.008   4.202
  283   1HD2  LEU  17          HD21      LEU  17   0.304   9.443   2.892
  284   2HD2  LEU  17          HD23      LEU  17   0.135  11.150   3.248
  285   3HD2  LEU  17          HD22      LEU  17   0.058   9.972   4.546
  286    H    VAL  18           HN       VAL  18  -2.602   7.128   1.551
  287    HA   VAL  18           HA       VAL  18  -3.338   8.418  -0.808
  288    HB   VAL  18           HB       VAL  18  -3.141   5.432  -0.359
  289   1HG1  VAL  18          HG11      VAL  18  -3.243   7.060  -2.982
  290   2HG1  VAL  18          HG13      VAL  18  -2.901   5.342  -2.886
  291   3HG1  VAL  18          HG12      VAL  18  -4.485   5.942  -2.476
  292   1HG2  VAL  18          HG21      VAL  18  -1.120   6.874   0.007
  293   2HG2  VAL  18          HG23      VAL  18  -0.927   5.866  -1.426
  294   3HG2  VAL  18          HG22      VAL  18  -1.351   7.566  -1.592
  295    H    CYS  19           HN       CYS  19  -5.252   5.756   0.498
  296    HA   CYS  19           HA       CYS  19  -7.191   5.095  -0.836
  297   1HB   CYS  19           HB2      CYS  19  -6.615   5.474   1.865
  298   2HB   CYS  19           HB1      CYS  19  -7.992   6.428   1.742
  299    HG   CYS  19           HG1      CYS  19  -9.421   4.325   1.632
  300    H    GLY  20           HN       GLY  20  -7.026   6.665  -2.435
  301   1HA   GLY  20           HA2      GLY  20  -8.434   9.083  -2.689
  302   2HA   GLY  20           HA1      GLY  20  -8.282   7.938  -4.028
  303    H    GLU  21           HN       GLU  21  -9.957   8.666  -1.214
  304    HA   GLU  21           HA       GLU  21 -12.147   8.547  -0.453
  305   1HB   GLU  21           HB2      GLU  21 -12.529   8.732  -3.462
  306   2HB   GLU  21           HB1      GLU  21 -13.608   9.355  -2.203
  307   1HG   GLU  21           HG2      GLU  21 -10.718  10.370  -2.840
  308   2HG   GLU  21           HG1      GLU  21 -12.071  11.408  -2.497
  309    NH1  ARG  22           NH2      ARG  22  -8.435   8.315   3.024
  310    NH2  ARG  22           NH1      ARG  22  -8.029   9.345   1.140
  311    H    ARG  22           HN       ARG  22 -11.308   7.054   0.190
  312    HA   ARG  22           HA       ARG  22 -10.581   4.671   0.107
  313   1HB   ARG  22           HB2      ARG  22 -12.551   5.606   2.275
  314   2HB   ARG  22           HB1      ARG  22 -11.190   4.525   2.541
  315   1HG   ARG  22           HG2      ARG  22 -10.112   6.454   3.330
  316   2HG   ARG  22           HG1      ARG  22  -9.802   6.541   1.611
  317   1HD   ARG  22           HD2      ARG  22 -11.977   8.055   1.481
  318   2HD   ARG  22           HD1      ARG  22 -11.602   8.334   3.151
  319    HE   ARG  22           HE       ARG  22 -10.350   9.888   1.343
  320   1HH1  ARG  22          HH22      ARG  22  -9.143   8.064   3.663
  321   2HH1  ARG  22          HH21      ARG  22  -7.473   8.113   3.182
  322   1HH2  ARG  22          HH12      ARG  22  -8.470   9.788   0.360
  323   2HH2  ARG  22          HH11      ARG  22  -7.041   9.263   1.221
  324    H    GLY  23           HN       GLY  23 -11.278   3.570  -1.299
  325   1HA   GLY  23           HA2      GLY  23 -13.428   1.554  -0.576
  326   2HA   GLY  23           HA1      GLY  23 -12.675   1.711  -2.199
  327    H    PHE  24           HN       PHE  24 -12.070   0.766   1.142
  328    HA   PHE  24           HA       PHE  24  -9.419  -0.344   0.334
  329   1HB   PHE  24           HB2      PHE  24  -9.418   1.238   2.225
  330   2HB   PHE  24           HB1      PHE  24 -10.482   0.163   3.120
  331    HD1  PHE  24           HD1      PHE  24  -7.374  -0.510   1.076
  332    HD2  PHE  24           HD2      PHE  24  -9.252  -0.799   4.880
  333    HE1  PHE  24           HE1      PHE  24  -5.444  -1.730   1.938
  334    HE2  PHE  24           HE2      PHE  24  -7.316  -2.007   5.741
  335    HZ   PHE  24           HZ       PHE  24  -5.397  -2.478   4.279
  336    H    PHE  25           HN       PHE  25  -9.353  -2.299  -0.279
  337    HA   PHE  25           HA       PHE  25 -10.795  -4.457   1.303
  338   1HB   PHE  25           HB2      PHE  25 -11.265  -5.658  -0.772
  339   2HB   PHE  25           HB1      PHE  25 -11.791  -3.994  -0.980
  340    HD1  PHE  25           HD1      PHE  25 -10.285  -2.368  -2.256
  341    HD2  PHE  25           HD2      PHE  25  -9.530  -6.554  -2.109
  342    HE1  PHE  25           HE1      PHE  25  -8.783  -2.173  -4.181
  343    HE2  PHE  25           HE2      PHE  25  -8.022  -6.348  -4.048
  344    HZ   PHE  25           HZ       PHE  25  -7.651  -4.135  -5.078
  345    OH   TYR  26           OH       TYR  26  -1.306  -7.744   4.178
  346    H    TYR  26           HN       TYR  26  -7.929  -3.550   1.294
  347    HA   TYR  26           HA       TYR  26  -5.726  -4.488   0.936
  348   1HB   TYR  26           HB2      TYR  26  -6.368  -4.374   3.317
  349   2HB   TYR  26           HB1      TYR  26  -7.095  -5.959   3.225
  350    HD1  TYR  26           HD2      TYR  26  -3.885  -5.317   1.434
  351    HD2  TYR  26           HD1      TYR  26  -5.659  -6.796   5.021
  352    HE1  TYR  26           HE2      TYR  26  -1.796  -6.356   2.053
  353    HE2  TYR  26           HE1      TYR  26  -3.503  -7.844   5.608
  354    HH   TYR  26           HH       TYR  26  -1.261  -7.747   5.134
  355    H    THR  27           HN       THR  27  -7.427  -7.450   1.719
  356    HA   THR  27           HA       THR  27  -6.609  -9.678   1.362
  357    HB   THR  27           HB       THR  27  -8.012  -8.869  -1.235
  358    HG1  THR  27           HG1      THR  27  -9.053  -8.117   0.499
  359   1HG2  THR  27          HG21      THR  27  -8.222 -11.293   0.626
  360   2HG2  THR  27          HG23      THR  27  -9.027 -11.077  -0.910
  361   3HG2  THR  27          HG22      THR  27  -7.300 -11.379  -0.868
  362    HA   PRO  28           HA       PRO  28  -5.507 -11.328  -2.916
  363   1HB   PRO  28           HB2      PRO  28  -3.162  -9.426  -3.108
  364   2HB   PRO  28           HB1      PRO  28  -3.796 -10.500  -4.354
  365   1HG   PRO  28           HG2      PRO  28  -4.705  -8.026  -4.438
  366   2HG   PRO  28           HG1      PRO  28  -5.958  -9.275  -4.398
  367   1HD   PRO  28           HD1      PRO  28  -4.826  -7.669  -2.096
  368   2HD   PRO  28           HD2      PRO  28  -6.539  -7.896  -2.465
  369    H    LYS  29           HN       LYS  29  -5.457 -12.360  -0.714
  370    HA   LYS  29           HA       LYS  29  -2.727 -13.481  -0.293
  371   1HB   LYS  29           HB2      LYS  29  -3.818 -11.730   1.444
  372   2HB   LYS  29           HB1      LYS  29  -4.716 -13.114   1.975
  373   1HG   LYS  29           HG2      LYS  29  -2.636 -12.755   3.339
  374   2HG   LYS  29           HG1      LYS  29  -2.667 -14.332   2.600
  375   1HD   LYS  29           HD2      LYS  29  -0.429 -13.050   2.402
  376   2HD   LYS  29           HD1      LYS  29  -1.032 -13.659   0.886
  377   1HE   LYS  29           HE2      LYS  29  -1.940 -11.348   0.362
  378   2HE   LYS  29           HE1      LYS  29  -1.295 -10.792   1.893
  379   1HZ   LYS  29           HZ1      LYS  29   0.808 -12.247   0.648
  380   2HZ   LYS  29           HZ3      LYS  29   0.221 -11.279  -0.540
  381   3HZ   LYS  29           HZ2      LYS  29   0.803 -10.677   0.866
  382    H    THR  30           HN       THR  30  -2.692 -15.483   0.981
  383    HA   THR  30           HA       THR  30  -3.118 -17.786   0.036
  384    HB   THR  30           HB       THR  30  -4.428 -17.356   2.771
  385    HG1  THR  30           HG1      THR  30  -1.853 -17.795   2.867
  386   1HG2  THR  30          HG21      THR  30  -2.379 -19.394   1.684
  387   2HG2  THR  30          HG23      THR  30  -3.160 -19.436   3.262
  388   3HG2  THR  30          HG22      THR  30  -4.082 -19.778   1.814
   
  Start of MODEL           5
 Raw file had  388 H/Q atoms
  Start of MODEL    5
    1    H    GLY   1           HN       GLY   1  -1.792  -5.050  -3.751
    2   1HA   GLY   1           HA2      GLY   1  -1.907  -7.592  -2.417
    3   2HA   GLY   1           HA1      GLY   1  -0.457  -6.887  -2.967
    4    H    ILE   2           HN       ILE   2  -0.428  -4.702  -1.567
    5    HA   ILE   2           HA       ILE   2   0.490  -3.708   0.338
    6    HB   ILE   2           HB       ILE   2  -2.004  -4.132   1.037
    7   1HG1  ILE   2          HG12      ILE   2   0.020  -3.998   3.305
    8   2HG1  ILE   2          HG11      ILE   2  -0.309  -2.627   2.289
    9   1HG2  ILE   2          HG21      ILE   2  -0.710  -6.216   2.853
   10   2HG2  ILE   2          HG23      ILE   2  -2.349  -5.623   2.968
   11   3HG2  ILE   2          HG22      ILE   2  -1.907  -6.585   1.623
   12   1HD1  ILE   2           HD2      ILE   2  -2.770  -2.806   3.019
   13   2HD1  ILE   2           HD1      ILE   2  -2.292  -4.046   4.160
   14   3HD1  ILE   2           HD3      ILE   2  -1.658  -2.430   4.330
   15    H    VAL   3           HN       VAL   3   0.620  -7.185   0.841
   16    HA   VAL   3           HA       VAL   3   2.809  -6.577   2.747
   17    HB   VAL   3           HB       VAL   3   2.978  -9.244   2.716
   18   1HG1  VAL   3          HG12      VAL   3   1.938  -7.845   4.536
   19   2HG1  VAL   3          HG11      VAL   3   0.442  -7.789   3.637
   20   3HG1  VAL   3          HG13      VAL   3   1.012  -9.312   4.282
   21   1HG2  VAL   3          HG21      VAL   3   1.483  -9.528   0.620
   22   2HG2  VAL   3          HG23      VAL   3   0.857 -10.353   2.033
   23   3HG2  VAL   3          HG22      VAL   3   0.171  -8.829   1.528
   24    H    GLU   4           HN       GLU   4   3.193  -9.059   0.230
   25    HA   GLU   4           HA       GLU   4   5.902  -8.733  -0.054
   26   1HB   GLU   4           HB2      GLU   4   5.179  -9.346  -2.684
   27   2HB   GLU   4           HB1      GLU   4   5.203 -10.518  -1.393
   28   1HG   GLU   4           HG2      GLU   4   3.061 -10.545  -2.742
   29   2HG   GLU   4           HG1      GLU   4   2.751 -10.294  -1.049
   30    H    GLN   5           HN       GLN   5   3.859  -7.234  -2.449
   31    HA   GLN   5           HA       GLN   5   5.726  -5.612  -3.728
   32   1HB   GLN   5           HB2      GLN   5   3.701  -4.533  -4.632
   33   2HB   GLN   5           HB1      GLN   5   3.463  -6.224  -4.402
   34   1HG   GLN   5           HG2      GLN   5   2.306  -5.763  -2.147
   35   2HG   GLN   5           HG1      GLN   5   2.392  -4.045  -2.514
   36   1HE2  GLN   5          HE21      GLN   5   0.122  -6.133  -5.122
   37   2HE2  GLN   5          HE22      GLN   5   1.630  -6.774  -4.632
   38    H    CYS   6           HN       CYS   6   4.264  -4.751  -0.605
   39    HA   CYS   6           HA       CYS   6   5.668  -2.047  -0.744
   40   1HB   CYS   6           HB2      CYS   6   3.311  -3.053   0.793
   41   2HB   CYS   6           HB1      CYS   6   3.929  -1.422   0.883
   42    HG   CYS   6           HG1      CYS   6   2.260  -2.582  -1.411
   43    H    CYS   7           HN       CYS   7   5.466  -4.917   1.203
   44    HA   CYS   7           HA       CYS   7   7.440  -3.701   3.071
   45   1HB   CYS   7           HB2      CYS   7   5.326  -4.057   3.940
   46   2HB   CYS   7           HB1      CYS   7   5.134  -5.612   3.251
   47    HG   CYS   7           HG1      CYS   7   6.503  -6.661   5.157
   48    H    THR   8           HN       THR   8   7.643  -5.352   0.464
   49    HA   THR   8           HA       THR   8   9.968  -7.064   1.281
   50    HB   THR   8           HB       THR   8   7.856  -8.208  -0.656
   51    HG1  THR   8           HG1      THR   8   8.012  -8.004   2.088
   52   1HG2  THR   8          HG22      THR   8  10.218  -9.218  -0.611
   53   2HG2  THR   8          HG21      THR   8   9.950  -9.511   1.105
   54   3HG2  THR   8          HG23      THR   8   8.920 -10.284  -0.082
   55    H    SER   9           HN       SER   9   8.159  -5.959  -1.438
   56    HA   SER   9           HA       SER   9  10.625  -5.421  -3.086
   57   1HB   SER   9           HB2      SER   9   9.156  -7.333  -3.936
   58   2HB   SER   9           HB1      SER   9   7.843  -6.164  -4.130
   59    HG   SER   9           HG1      SER   9  10.045  -6.496  -5.739
   60    H    ILE  10           HN       ILE  10   9.119  -3.986  -5.119
   61    HA   ILE  10           HA       ILE  10   8.314  -1.575  -3.576
   62    HB   ILE  10           HB       ILE  10   9.970  -1.469  -6.130
   63   1HG1  ILE  10          HG12      ILE  10  10.757  -0.860  -3.207
   64   2HG1  ILE  10          HG11      ILE  10  11.148  -2.382  -3.956
   65   1HG2  ILE  10          HG21      ILE  10   9.198   0.673  -4.031
   66   2HG2  ILE  10          HG23      ILE  10  10.195   0.969  -5.433
   67   3HG2  ILE  10          HG22      ILE  10   8.506   0.587  -5.642
   68   1HD1  ILE  10           HD2      ILE  10  12.475  -1.141  -5.724
   69   2HD1  ILE  10           HD1      ILE  10  12.127   0.369  -4.895
   70   3HD1  ILE  10           HD3      ILE  10  13.095  -0.857  -4.108
   71    H    CYS  11           HN       CYS  11   6.488  -1.270  -3.663
   72    HA   CYS  11           HA       CYS  11   4.697  -1.270  -6.062
   73   1HB   CYS  11           HB2      CYS  11   2.926  -1.717  -4.317
   74   2HB   CYS  11           HB1      CYS  11   4.298  -2.787  -4.148
   75    HG   CYS  11           HG1      CYS  11   5.078  -1.119  -2.247
   76    H    SER  12           HN       SER  12   6.350   1.153  -4.897
   77    HA   SER  12           HA       SER  12   4.881   2.997  -3.748
   78   1HB   SER  12           HB2      SER  12   6.378   3.915  -6.312
   79   2HB   SER  12           HB1      SER  12   6.482   4.659  -4.729
   80    HG   SER  12           HG1      SER  12   8.291   3.439  -4.978
   81    H    LEU  13           HN       LEU  13   3.022   2.957  -3.906
   82    HA   LEU  13           HA       LEU  13   1.024   4.158  -3.708
   83   1HB   LEU  13           HB2      LEU  13   1.332   5.619  -6.348
   84   2HB   LEU  13           HB1      LEU  13   0.415   6.046  -4.936
   85    HG   LEU  13           HG       LEU  13   3.193   6.334  -5.623
   86   1HD1  LEU  13          HD12      LEU  13   1.680   8.123  -6.205
   87   2HD1  LEU  13          HD11      LEU  13   1.043   8.204  -4.569
   88   3HD1  LEU  13          HD13      LEU  13   2.684   8.726  -4.899
   89   1HD2  LEU  13          HD22      LEU  13   1.964   6.693  -2.786
   90   2HD2  LEU  13          HD21      LEU  13   3.196   5.505  -3.159
   91   3HD2  LEU  13          HD23      LEU  13   3.595   7.203  -3.176
   92    OH   TYR  14           OH       TYR  14   7.359   2.061  -7.625
   93    H    TYR  14           HN       TYR  14   2.328   3.665  -6.679
   94    HA   TYR  14           HA       TYR  14   0.034   3.079  -8.120
   95   1HB   TYR  14           HB2      TYR  14   1.585   1.344  -9.506
   96   2HB   TYR  14           HB1      TYR  14   1.742   3.064  -9.693
   97    HD1  TYR  14           HD1      TYR  14   3.281   0.106  -7.967
   98    HD2  TYR  14           HD2      TYR  14   3.702   4.158  -9.177
   99    HE1  TYR  14           HE1      TYR  14   5.697   0.059  -7.400
  100    HE2  TYR  14           HE2      TYR  14   6.060   4.083  -8.607
  101    HH   TYR  14           HH       TYR  14   7.397   2.202  -6.670
  102    H    GLN  15           HN       GLN  15   1.853   1.021  -5.970
  103    HA   GLN  15           HA       GLN  15  -0.390  -0.980  -6.313
  104   1HB   GLN  15           HB2      GLN  15   2.585  -1.483  -6.208
  105   2HB   GLN  15           HB1      GLN  15   1.412  -2.757  -5.833
  106   1HG   GLN  15           HG2      GLN  15   1.335  -1.052  -8.383
  107   2HG   GLN  15           HG1      GLN  15   2.158  -2.600  -8.293
  108   1HE2  GLN  15          HE21      GLN  15  -1.818  -2.608  -8.718
  109   2HE2  GLN  15          HE22      GLN  15  -1.059  -1.105  -8.486
  110    H    LEU  16           HN       LEU  16  -0.476   0.959  -4.689
  111    HA   LEU  16           HA       LEU  16  -0.693  -0.242  -2.101
  112   1HB   LEU  16           HB2      LEU  16   0.678   2.360  -2.925
  113   2HB   LEU  16           HB1      LEU  16  -0.274   2.501  -1.458
  114    HG   LEU  16           HG       LEU  16   1.197   0.126  -1.185
  115   1HD1  LEU  16          HD11      LEU  16   3.033   2.285  -2.171
  116   2HD1  LEU  16          HD13      LEU  16   3.498   0.798  -1.369
  117   3HD1  LEU  16          HD12      LEU  16   2.669   0.714  -2.908
  118   1HD2  LEU  16          HD22      LEU  16   1.820   2.832   0.053
  119   2HD2  LEU  16          HD21      LEU  16   0.684   1.628   0.669
  120   3HD2  LEU  16          HD23      LEU  16   2.384   1.266   0.623
  121    H    GLU  17           HN       GLU  17  -1.678   2.260  -4.305
  122    HA   GLU  17           HA       GLU  17  -4.186   2.880  -3.134
  123   1HB   GLU  17           HB2      GLU  17  -4.691   3.639  -5.495
  124   2HB   GLU  17           HB1      GLU  17  -3.059   4.081  -5.076
  125   1HG   GLU  17           HG2      GLU  17  -2.890   3.122  -7.292
  126   2HG   GLU  17           HG1      GLU  17  -2.315   1.865  -6.245
  127    H    ASN  18           HN       ASN  18  -3.171   0.485  -5.352
  128    HA   ASN  18           HA       ASN  18  -5.253  -1.065  -6.071
  129   1HB   ASN  18           HB2      ASN  18  -2.953  -1.605  -6.862
  130   2HB   ASN  18           HB1      ASN  18  -2.344  -1.817  -5.240
  131   1HD2  ASN  18          HD21      ASN  18  -4.070  -4.891  -7.164
  132   2HD2  ASN  18          HD22      ASN  18  -3.882  -3.352  -7.865
  133    OH   TYR  19           OH       TYR  19   0.672  -0.822   0.625
  134    H    TYR  19           HN       TYR  19  -3.859  -1.118  -2.945
  135    HA   TYR  19           HA       TYR  19  -6.020  -2.996  -2.144
  136   1HB   TYR  19           HB2      TYR  19  -4.382  -3.803  -0.435
  137   2HB   TYR  19           HB1      TYR  19  -3.707  -3.865  -2.046
  138    HD1  TYR  19           HD1      TYR  19  -3.744  -1.466   0.833
  139    HD2  TYR  19           HD2      TYR  19  -1.622  -3.356  -2.322
  140    HE1  TYR  19           HE1      TYR  19  -1.578  -0.447   1.584
  141    HE2  TYR  19           HE2      TYR  19   0.437  -2.358  -1.541
  142    HH   TYR  19           HH       TYR  19   1.345  -1.503   0.540
  143    H    CYS  20           HN       CYS  20  -4.452  -0.039  -1.337
  144    HA   CYS  20           HA       CYS  20  -5.729   0.651   1.094
  145   1HB   CYS  20           HB2      CYS  20  -3.811   1.705   0.093
  146   2HB   CYS  20           HB1      CYS  20  -4.775   2.253  -1.234
  147    HG   CYS  20           HG1      CYS  20  -4.365   3.769   1.307
  148    H    ASN  21           HN       ASN  21  -6.716   0.962  -2.065
  149    HA   ASN  21           HA       ASN  21  -9.183   2.405  -1.844
  150   1HB   ASN  21           HB2      ASN  21  -7.969   0.683  -4.035
  151   2HB   ASN  21           HB1      ASN  21  -9.556   1.393  -4.253
  152   1HD2  ASN  21          HD21      ASN  21  -6.652   3.690  -5.238
  153   2HD2  ASN  21          HD22      ASN  21  -6.637   2.024  -5.422
  154    H    PHE   1           HN       PHE   1   8.384   3.349  -8.561
  155    HA   PHE   1           HA       PHE   1   9.952   5.900  -8.630
  156   1HB   PHE   1           HB2      PHE   1   7.163   5.410  -7.480
  157   2HB   PHE   1           HB1      PHE   1   8.105   6.799  -7.022
  158    HD1  PHE   1           HD1      PHE   1   7.205   5.031 -10.245
  159    HD2  PHE   1           HD2      PHE   1   7.608   8.725  -8.182
  160    HE1  PHE   1           HE1      PHE   1   6.434   6.219 -12.235
  161    HE2  PHE   1           HE2      PHE   1   6.839   9.923 -10.182
  162    HZ   PHE   1           HZ       PHE   1   6.249   8.672 -12.217
  163    H    VAL   2           HN       VAL   2  11.685   4.693  -7.691
  164    HA   VAL   2           HA       VAL   2  11.728   3.198  -5.374
  165    HB   VAL   2           HB       VAL   2  14.102   3.878  -5.192
  166   1HG1  VAL   2          HG12      VAL   2  13.396   1.995  -6.675
  167   2HG1  VAL   2          HG11      VAL   2  13.090   3.109  -7.994
  168   3HG1  VAL   2          HG13      VAL   2  14.726   2.859  -7.419
  169   1HG2  VAL   2          HG22      VAL   2  13.444   5.607  -7.660
  170   2HG2  VAL   2          HG21      VAL   2  13.955   6.211  -6.095
  171   3HG2  VAL   2          HG23      VAL   2  15.054   5.265  -7.069
  172    H    ASN   3           HN       ASN   3  10.239   4.293  -4.053
  173    HA   ASN   3           HA       ASN   3  11.374   6.398  -2.221
  174   1HB   ASN   3           HB2      ASN   3   8.416   5.671  -2.686
  175   2HB   ASN   3           HB1      ASN   3   8.999   7.009  -1.735
  176   1HD2  ASN   3          HD21      ASN   3  10.234   8.179  -5.197
  177   2HD2  ASN   3          HD22      ASN   3  11.180   7.297  -4.084
  178    H    GLN   4           HN       GLN   4   9.450   3.723  -2.354
  179    HA   GLN   4           HA       GLN   4   9.400   1.690  -1.318
  180   1HB   GLN   4           HB2      GLN   4  11.034   3.090   0.890
  181   2HB   GLN   4           HB1      GLN   4  10.532   1.423   0.912
  182   1HG   GLN   4           HG2      GLN   4  12.957   1.767   0.031
  183   2HG   GLN   4           HG1      GLN   4  11.916   0.767  -0.951
  184   1HE2  GLN   4          HE21      GLN   4  13.437   4.089  -2.564
  185   2HE2  GLN   4          HE22      GLN   4  13.712   3.770  -0.915
  186    H    HIS   5           HN       HIS   5   8.455   0.971   0.599
  187    HA   HIS   5           HA       HIS   5   6.103   2.517   1.519
  188   1HB   HIS   5           HB2      HIS   5   5.613  -0.363   1.393
  189   2HB   HIS   5           HB1      HIS   5   4.731   0.952   0.602
  190    HD1  HIS   5           HD1      HIS   5   7.751  -0.982   0.368
  191    HD2  HIS   5           HD2      HIS   5   5.539   1.339  -2.137
  192    HE1  HIS   5           HE1      HIS   5   8.856  -1.121  -1.835
  193    H    LEU   6           HN       LEU   6   5.128   0.797   3.041
  194    HA   LEU   6           HA       LEU   6   6.834   0.569   5.498
  195   1HB   LEU   6           HB2      LEU   6   3.926   1.243   5.147
  196   2HB   LEU   6           HB1      LEU   6   4.608   1.072   6.720
  197    HG   LEU   6           HG       LEU   6   4.622   3.405   6.399
  198   1HD1  LEU   6          HD12      LEU   6   6.971   2.841   6.915
  199   2HD1  LEU   6          HD11      LEU   6   7.321   2.698   5.204
  200   3HD1  LEU   6          HD13      LEU   6   6.863   4.237   5.870
  201   1HD2  LEU   6          HD21      LEU   6   3.774   3.421   4.112
  202   2HD2  LEU   6          HD23      LEU   6   5.067   4.583   4.315
  203   3HD2  LEU   6          HD22      LEU   6   5.371   3.091   3.476
  204    H    CYS   7           HN       CYS   7   5.782  -1.005   7.220
  205    HA   CYS   7           HA       CYS   7   4.947  -3.550   5.881
  206   1HB   CYS   7           HB2      CYS   7   7.318  -3.368   6.662
  207   2HB   CYS   7           HB1      CYS   7   6.738  -3.267   8.305
  208    HG   CYS   7           HG1      CYS   7   6.172  -5.728   8.269
  209    H    GLY   8           HN       GLY   8   4.677  -1.960   9.054
  210   1HA   GLY   8           HA2      GLY   8   2.157  -3.596   9.539
  211   2HA   GLY   8           HA1      GLY   8   3.236  -3.101  10.844
  212    H    ASP   9           HN       ASP   9   2.603  -1.443  11.968
  213    HA   ASP   9           HA       ASP   9   0.201  -0.037  11.666
  214   1HB   ASP   9           HB2      ASP   9   1.522   1.547  13.340
  215   2HB   ASP   9           HB1      ASP   9   1.609  -0.154  13.786
  216    H    HIS  10           HN       HIS  10   3.374   1.216  10.931
  217    HA   HIS  10           HA       HIS  10   2.683   3.523   9.514
  218   1HB   HIS  10           HB2      HIS  10   5.058   3.127   8.518
  219   2HB   HIS  10           HB1      HIS  10   4.866   3.176  10.266
  220    HD1  HIS  10           HD1      HIS  10   4.860   0.695  11.439
  221    HD2  HIS  10           HD2      HIS  10   6.394   0.873   7.657
  222    HE1  HIS  10           HE1      HIS  10   6.109  -1.379  11.104
  223    H    LEU  11           HN       LEU  11   2.279   0.328   8.430
  224    HA   LEU  11           HA       LEU  11   1.960   1.017   5.536
  225   1HB   LEU  11           HB2      LEU  11   3.008  -1.184   6.341
  226   2HB   LEU  11           HB1      LEU  11   1.474  -1.628   7.041
  227    HG   LEU  11           HG       LEU  11   0.395  -1.782   4.882
  228   1HD1  LEU  11          HD11      LEU  11   3.062  -0.806   3.725
  229   2HD1  LEU  11          HD13      LEU  11   1.673  -1.338   2.801
  230   3HD1  LEU  11          HD12      LEU  11   1.573   0.140   3.717
  231   1HD2  LEU  11          HD22      LEU  11   3.206  -2.952   4.828
  232   2HD2  LEU  11          HD21      LEU  11   1.817  -3.690   5.597
  233   3HD2  LEU  11          HD23      LEU  11   1.886  -3.516   3.856
  234    H    VAL  12           HN       VAL  12  -0.050  -0.117   8.244
  235    HA   VAL  12           HA       VAL  12  -2.546   0.162   6.819
  236    HB   VAL  12           HB       VAL  12  -2.870  -0.780   9.092
  237   1HG1  VAL  12          HG11      VAL  12  -1.636   1.777  10.152
  238   2HG1  VAL  12          HG13      VAL  12  -2.249   0.462  11.108
  239   3HG1  VAL  12          HG12      VAL  12  -0.893   0.182  10.039
  240   1HG2  VAL  12          HG21      VAL  12  -4.642   0.966   8.338
  241   2HG2  VAL  12          HG23      VAL  12  -4.486   0.861  10.095
  242   3HG2  VAL  12          HG22      VAL  12  -3.743   2.173   9.230
  243    H    GLU  13           HN       GLU  13  -0.800   2.522   8.755
  244    HA   GLU  13           HA       GLU  13  -2.419   4.771   8.497
  245   1HB   GLU  13           HB2      GLU  13   0.640   4.609   8.300
  246   2HB   GLU  13           HB1      GLU  13  -0.262   6.082   8.630
  247   1HG   GLU  13           HG2      GLU  13  -0.271   3.600  10.457
  248   2HG   GLU  13           HG1      GLU  13   0.529   5.107  10.803
  249    H    ALA  14           HN       ALA  14  -0.048   3.573   6.262
  250    HA   ALA  14           HA       ALA  14  -0.373   5.541   4.368
  251   1HB   ALA  14           HB2      ALA  14   1.455   3.775   4.276
  252   2HB   ALA  14           HB1      ALA  14   0.261   2.549   3.892
  253   3HB   ALA  14           HB3      ALA  14   0.632   3.793   2.721
  254    H    LEU  15           HN       LEU  15  -2.269   2.803   4.890
  255    HA   LEU  15           HA       LEU  15  -3.882   2.789   2.564
  256   1HB   LEU  15           HB2      LEU  15  -4.836   2.113   5.360
  257   2HB   LEU  15           HB1      LEU  15  -5.551   1.520   3.870
  258    HG   LEU  15           HG       LEU  15  -2.693   0.886   4.744
  259   1HD1  LEU  15          HD12      LEU  15  -4.498  -0.184   6.186
  260   2HD1  LEU  15          HD11      LEU  15  -5.183  -0.890   4.733
  261   3HD1  LEU  15          HD13      LEU  15  -3.576  -1.341   5.243
  262   1HD2  LEU  15          HD22      LEU  15  -4.520  -0.253   2.590
  263   2HD2  LEU  15          HD21      LEU  15  -3.145   0.809   2.292
  264   3HD2  LEU  15          HD23      LEU  15  -2.899  -0.774   2.994
  265    OH   TYR  16           OH       TYR  16  -1.696   8.426   9.405
  266    H    TYR  16           HN       TYR  16  -3.798   5.329   4.713
  267    HA   TYR  16           HA       TYR  16  -6.528   6.291   3.870
  268   1HB   TYR  16           HB2      TYR  16  -6.690   7.483   6.003
  269   2HB   TYR  16           HB1      TYR  16  -6.299   5.824   6.359
  270    HD1  TYR  16           HD2      TYR  16  -4.072   8.860   5.615
  271    HD2  TYR  16           HD1      TYR  16  -5.119   5.706   8.291
  272    HE1  TYR  16           HE2      TYR  16  -2.282   9.525   7.164
  273    HE2  TYR  16           HE1      TYR  16  -3.344   6.426   9.796
  274    HH   TYR  16           HH       TYR  16  -1.630   7.740  10.097
  275    H    LEU  17           HN       LEU  17  -3.471   6.529   3.201
  276    HA   LEU  17           HA       LEU  17  -3.399   9.450   2.578
  277   1HB   LEU  17           HB2      LEU  17  -1.688   8.681   4.165
  278   2HB   LEU  17           HB1      LEU  17  -1.196   7.399   3.090
  279    HG   LEU  17           HG       LEU  17  -0.450   9.135   1.404
  280   1HD1  LEU  17          HD11      LEU  17  -1.090  11.050   3.696
  281   2HD1  LEU  17          HD13      LEU  17  -0.273  11.484   2.202
  282   3HD1  LEU  17          HD12      LEU  17  -1.947  10.981   2.165
  283   1HD2  LEU  17          HD22      LEU  17   0.696   9.436   4.218
  284   2HD2  LEU  17          HD21      LEU  17   1.143   8.175   3.084
  285   3HD2  LEU  17          HD23      LEU  17   1.530   9.848   2.732
  286    H    VAL  18           HN       VAL  18  -2.644   6.332   1.173
  287    HA   VAL  18           HA       VAL  18  -2.073   7.484  -1.477
  288    HB   VAL  18           HB       VAL  18  -0.878   5.449  -0.528
  289   1HG1  VAL  18          HG12      VAL  18  -2.837   4.423   0.505
  290   2HG1  VAL  18          HG11      VAL  18  -3.488   4.050  -1.090
  291   3HG1  VAL  18          HG13      VAL  18  -2.013   3.295  -0.545
  292   1HG2  VAL  18          HG21      VAL  18  -1.054   5.911  -3.058
  293   2HG2  VAL  18          HG23      VAL  18  -1.022   4.176  -2.749
  294   3HG2  VAL  18          HG22      VAL  18  -2.529   4.984  -3.107
  295    H    CYS  19           HN       CYS  19  -4.734   5.449  -0.319
  296    HA   CYS  19           HA       CYS  19  -6.004   5.433  -2.950
  297   1HB   CYS  19           HB2      CYS  19  -7.790   4.272  -1.605
  298   2HB   CYS  19           HB1      CYS  19  -6.223   3.552  -1.580
  299    HG   CYS  19           HG1      CYS  19  -7.496   5.103   0.804
  300    H    GLY  20           HN       GLY  20  -8.388   5.689  -2.968
  301   1HA   GLY  20           HA2      GLY  20  -8.971   8.570  -2.382
  302   2HA   GLY  20           HA1      GLY  20  -9.766   7.618  -3.612
  303    H    GLU  21           HN       GLU  21  -9.610   8.313  -0.275
  304    HA   GLU  21           HA       GLU  21 -10.951   7.687   1.599
  305   1HB   GLU  21           HB2      GLU  21 -12.524   9.513  -0.235
  306   2HB   GLU  21           HB1      GLU  21 -12.700   9.418   1.507
  307   1HG   GLU  21           HG2      GLU  21 -10.127   9.914   1.710
  308   2HG   GLU  21           HG1      GLU  21 -10.115  10.223  -0.005
  309    NH1  ARG  22           NH1      ARG  22 -10.781   2.380   3.868
  310    NH2  ARG  22           NH2      ARG  22  -8.599   2.591   4.055
  311    H    ARG  22           HN       ARG  22 -10.882   5.869   0.309
  312    HA   ARG  22           HA       ARG  22 -12.987   4.263  -0.534
  313   1HB   ARG  22           HB2      ARG  22 -10.903   2.710  -0.761
  314   2HB   ARG  22           HB1      ARG  22 -10.948   4.232  -1.597
  315   1HG   ARG  22           HG2      ARG  22  -8.869   3.517  -0.072
  316   2HG   ARG  22           HG1      ARG  22  -9.274   5.196  -0.301
  317   1HD   ARG  22           HD2      ARG  22  -8.877   5.016   2.066
  318   2HD   ARG  22           HD1      ARG  22 -10.616   4.822   2.069
  319    HE   ARG  22           HE       ARG  22  -9.282   2.275   1.591
  320   1HH1  ARG  22          HH12      ARG  22 -11.574   2.535   3.286
  321   2HH1  ARG  22          HH11      ARG  22 -10.888   2.023   4.787
  322   1HH2  ARG  22          HH22      ARG  22  -7.769   2.909   3.602
  323   2HH2  ARG  22          HH21      ARG  22  -8.605   2.241   4.981
  324    H    GLY  23           HN       GLY  23 -12.101   1.920   0.084
  325   1HA   GLY  23           HA2      GLY  23 -13.395   1.239   2.706
  326   2HA   GLY  23           HA1      GLY  23 -13.303   0.165   1.358
  327    H    PHE  24           HN       PHE  24 -10.594  -0.125   0.993
  328    HA   PHE  24           HA       PHE  24  -8.502  -0.665   2.301
  329   1HB   PHE  24           HB2      PHE  24 -10.566  -1.907   4.247
  330   2HB   PHE  24           HB1      PHE  24  -8.934  -2.451   4.226
  331    HD1  PHE  24           HD1      PHE  24  -7.097  -0.497   4.451
  332    HD2  PHE  24           HD2      PHE  24 -11.067  -0.282   5.914
  333    HE1  PHE  24           HE1      PHE  24  -6.402   1.176   6.123
  334    HE2  PHE  24           HE2      PHE  24 -10.388   1.395   7.563
  335    HZ   PHE  24           HZ       PHE  24  -8.038   2.133   7.674
  336    H    PHE  25           HN       PHE  25  -8.897  -1.622   0.009
  337    HA   PHE  25           HA       PHE  25  -9.712  -4.414  -0.240
  338   1HB   PHE  25           HB2      PHE  25  -8.183  -2.607  -2.167
  339   2HB   PHE  25           HB1      PHE  25  -8.917  -4.136  -2.590
  340    HD1  PHE  25           HD2      PHE  25 -11.310  -2.856  -0.418
  341    HD2  PHE  25           HD1      PHE  25  -9.612  -2.099  -4.249
  342    HE1  PHE  25           HE2      PHE  25 -13.346  -1.685  -1.090
  343    HE2  PHE  25           HE1      PHE  25 -11.661  -0.924  -4.920
  344    HZ   PHE  25           HZ       PHE  25 -13.535  -0.714  -3.342
  345    OH   TYR  26           OH       TYR  26  -2.240  -8.577   5.577
  346    H    TYR  26           HN       TYR  26  -8.161  -4.983   1.558
  347    HA   TYR  26           HA       TYR  26  -5.424  -5.304   1.524
  348   1HB   TYR  26           HB2      TYR  26  -7.221  -5.907   3.263
  349   2HB   TYR  26           HB1      TYR  26  -7.393  -7.450   2.460
  350    HD1  TYR  26           HD2      TYR  26  -4.857  -5.220   4.025
  351    HD2  TYR  26           HD1      TYR  26  -5.921  -9.232   3.078
  352    HE1  TYR  26           HE2      TYR  26  -2.903  -6.053   5.294
  353    HE2  TYR  26           HE1      TYR  26  -3.944 -10.022   4.360
  354    HH   TYR  26           HH       TYR  26  -1.846  -7.858   6.076
  355    H    THR  27           HN       THR  27  -4.541  -7.742   1.688
  356    HA   THR  27           HA       THR  27  -3.017  -9.074   0.567
  357    HB   THR  27           HB       THR  27  -4.551 -10.693   1.296
  358    HG1  THR  27           HG1      THR  27  -5.137 -11.690  -1.035
  359   1HG2  THR  27          HG21      THR  27  -6.373  -9.920  -1.035
  360   2HG2  THR  27          HG23      THR  27  -6.712 -11.152   0.175
  361   3HG2  THR  27          HG22      THR  27  -6.676  -9.460   0.624
  362    HA   PRO  28           HA       PRO  28  -1.383  -9.273  -3.556
  363   1HB   PRO  28           HB2      PRO  28  -2.192 -12.121  -2.907
  364   2HB   PRO  28           HB1      PRO  28  -0.884 -11.591  -3.986
  365   1HG   PRO  28           HG2      PRO  28  -0.182 -11.998  -1.463
  366   2HG   PRO  28           HG1      PRO  28   0.274 -10.435  -2.144
  367   1HD   PRO  28           HD1      PRO  28  -2.005 -11.056  -0.253
  368   2HD   PRO  28           HD2      PRO  28  -0.944  -9.633  -0.328
  369    H    LYS  29           HN       LYS  29  -4.309 -10.596  -2.953
  370    HA   LYS  29           HA       LYS  29  -6.091 -11.362  -4.452
  371   1HB   LYS  29           HB2      LYS  29  -7.596  -9.502  -4.091
  372   2HB   LYS  29           HB1      LYS  29  -6.302  -9.253  -2.953
  373   1HG   LYS  29           HG2      LYS  29  -5.102  -7.735  -4.486
  374   2HG   LYS  29           HG1      LYS  29  -6.412  -7.877  -5.645
  375   1HD   LYS  29           HD2      LYS  29  -7.963  -6.736  -4.401
  376   2HD   LYS  29           HD1      LYS  29  -7.223  -7.122  -2.867
  377   1HE   LYS  29           HE2      LYS  29  -6.018  -5.232  -4.907
  378   2HE   LYS  29           HE1      LYS  29  -6.938  -4.732  -3.494
  379   1HZ   LYS  29           HZ1      LYS  29  -4.963  -6.701  -2.766
  380   2HZ   LYS  29           HZ3      LYS  29  -4.234  -5.363  -3.543
  381   3HZ   LYS  29           HZ2      LYS  29  -5.276  -5.196  -2.173
  382    H    THR  30           HN       THR  30  -4.625  -8.842  -6.031
  383    HA   THR  30           HA       THR  30  -3.839  -9.174  -8.495
  384    HB   THR  30           HB       THR  30  -5.603 -10.881  -9.111
  385    HG1  THR  30           HG1      THR  30  -6.242  -9.470 -11.014
  386   1HG2  THR  30          HG22      THR  30  -7.633  -9.568  -8.079
  387   2HG2  THR  30          HG21      THR  30  -7.427  -8.393  -9.367
  388   3HG2  THR  30          HG23      THR  30  -7.839 -10.058  -9.740
   
  Start of MODEL           6
 Raw file had  388 H/Q atoms
  Start of MODEL    6
    1    H    GLY   1           HN       GLY   1  -0.661  -6.371  -6.515
    2   1HA   GLY   1           HA2      GLY   1  -2.326  -6.471  -4.571
    3   2HA   GLY   1           HA1      GLY   1  -1.523  -7.947  -4.092
    4    H    ILE   2           HN       ILE   2   0.086  -5.050  -5.022
    5    HA   ILE   2           HA       ILE   2   1.436  -3.485  -3.868
    6    HB   ILE   2           HB       ILE   2   0.301  -4.631  -1.225
    7   1HG1  ILE   2          HG12      ILE   2  -0.672  -2.301  -2.840
    8   2HG1  ILE   2          HG11      ILE   2  -1.497  -3.859  -2.808
    9   1HG2  ILE   2          HG21      ILE   2   1.568  -1.957  -1.986
   10   2HG2  ILE   2          HG23      ILE   2   0.953  -2.333  -0.400
   11   3HG2  ILE   2          HG22      ILE   2   2.321  -3.210  -1.004
   12   1HD1  ILE   2           HD2      ILE   2  -1.688  -3.538  -0.268
   13   2HD1  ILE   2           HD1      ILE   2  -1.028  -1.938  -0.518
   14   3HD1  ILE   2           HD3      ILE   2  -2.573  -2.334  -1.186
   15    H    VAL   3           HN       VAL   3   1.358  -6.176  -1.700
   16    HA   VAL   3           HA       VAL   3   3.519  -6.629  -0.445
   17    HB   VAL   3           HB       VAL   3   3.567  -9.109  -1.287
   18   1HG1  VAL   3          HG12      VAL   3   1.848  -8.299   0.377
   19   2HG1  VAL   3          HG11      VAL   3   0.791  -7.830  -0.939
   20   3HG1  VAL   3          HG13      VAL   3   1.189  -9.514  -0.702
   21   1HG2  VAL   3          HG21      VAL   3   3.120  -8.542  -3.715
   22   2HG2  VAL   3          HG23      VAL   3   1.941  -9.666  -3.077
   23   3HG2  VAL   3          HG22      VAL   3   1.518  -7.978  -3.283
   24    H    GLU   4           HN       GLU   4   5.029  -8.724  -2.495
   25    HA   GLU   4           HA       GLU   4   7.539  -7.979  -2.327
   26   1HB   GLU   4           HB2      GLU   4   5.919  -8.948  -4.652
   27   2HB   GLU   4           HB1      GLU   4   7.591  -8.530  -5.002
   28   1HG   GLU   4           HG2      GLU   4   7.053 -10.993  -4.125
   29   2HG   GLU   4           HG1      GLU   4   8.432 -10.194  -3.419
   30    H    GLN   5           HN       GLN   5   5.853  -6.344  -4.949
   31    HA   GLN   5           HA       GLN   5   7.970  -4.450  -5.476
   32   1HB   GLN   5           HB2      GLN   5   6.233  -3.298  -6.864
   33   2HB   GLN   5           HB1      GLN   5   6.199  -5.024  -7.109
   34   1HG   GLN   5           HG2      GLN   5   4.209  -5.230  -5.537
   35   2HG   GLN   5           HG1      GLN   5   4.230  -3.505  -5.278
   36   1HE2  GLN   5          HE21      GLN   5   3.242  -3.781  -9.045
   37   2HE2  GLN   5          HE22      GLN   5   4.871  -3.825  -8.544
   38    H    CYS   6           HN       CYS   6   5.321  -4.145  -3.121
   39    HA   CYS   6           HA       CYS   6   6.487  -1.484  -2.350
   40   1HB   CYS   6           HB2      CYS   6   3.755  -2.679  -2.232
   41   2HB   CYS   6           HB1      CYS   6   4.100  -1.146  -1.480
   42    HG   CYS   6           HG1      CYS   6   3.510  -0.105  -3.648
   43    H    CYS   7           HN       CYS   7   6.571  -4.436  -1.384
   44    HA   CYS   7           HA       CYS   7   6.870  -3.820   1.531
   45   1HB   CYS   7           HB2      CYS   7   4.811  -4.968   1.080
   46   2HB   CYS   7           HB1      CYS   7   5.628  -6.185   0.168
   47    HG   CYS   7           HG1      CYS   7   6.292  -7.422   2.242
   48    H    THR   8           HN       THR   8   8.264  -5.694  -1.075
   49    HA   THR   8           HA       THR   8  10.507  -6.584   0.771
   50    HB   THR   8           HB       THR   8   9.019  -8.379  -0.602
   51    HG1  THR   8           HG1      THR   8  10.686  -9.507  -0.162
   52   1HG2  THR   8          HG22      THR   8   9.736  -7.418  -2.964
   53   2HG2  THR   8          HG21      THR   8  11.375  -7.835  -2.479
   54   3HG2  THR   8          HG23      THR   8  10.149  -9.082  -2.613
   55    H    SER   9           HN       SER   9   9.804  -5.323  -2.338
   56    HA   SER   9           HA       SER   9  12.519  -4.084  -2.656
   57   1HB   SER   9           HB2      SER   9  12.039  -5.988  -4.306
   58   2HB   SER   9           HB1      SER   9  10.636  -5.066  -4.876
   59    HG   SER   9           HG1      SER   9  13.237  -4.646  -5.512
   60    H    ILE  10           HN       ILE  10  11.472  -2.526  -4.975
   61    HA   ILE  10           HA       ILE  10   9.481  -0.860  -3.601
   62    HB   ILE  10           HB       ILE  10  12.202  -0.078  -4.572
   63   1HG1  ILE  10          HG12      ILE  10  10.223   0.772  -2.426
   64   2HG1  ILE  10          HG11      ILE  10  11.508  -0.370  -2.213
   65   1HG2  ILE  10          HG22      ILE  10  10.677   1.337  -6.069
   66   2HG2  ILE  10          HG21      ILE  10   9.832   1.895  -4.644
   67   3HG2  ILE  10          HG23      ILE  10  11.505   2.320  -4.896
   68   1HD1  ILE  10           HD2      ILE  10  13.176   1.516  -2.672
   69   2HD1  ILE  10           HD1      ILE  10  11.829   2.637  -2.823
   70   3HD1  ILE  10           HD3      ILE  10  12.162   1.868  -1.284
   71    H    CYS  11           HN       CYS  11   8.382   0.239  -4.535
   72    HA   CYS  11           HA       CYS  11   7.694   0.195  -7.421
   73   1HB   CYS  11           HB2      CYS  11   5.390  -0.319  -6.804
   74   2HB   CYS  11           HB1      CYS  11   6.428  -1.431  -5.964
   75    HG   CYS  11           HG1      CYS  11   5.941  -0.404  -3.768
   76    H    SER  12           HN       SER  12   5.449   1.595  -7.022
   77    HA   SER  12           HA       SER  12   6.312   4.387  -6.338
   78   1HB   SER  12           HB2      SER  12   5.091   5.241  -8.179
   79   2HB   SER  12           HB1      SER  12   6.205   3.963  -8.706
   80    HG   SER  12           HG1      SER  12   4.430   2.876  -9.261
   81    H    LEU  13           HN       LEU  13   4.616   6.031  -6.098
   82    HA   LEU  13           HA       LEU  13   2.650   5.403  -4.044
   83   1HB   LEU  13           HB2      LEU  13   3.491   7.768  -4.458
   84   2HB   LEU  13           HB1      LEU  13   2.931   7.700  -6.111
   85    HG   LEU  13           HG       LEU  13   0.545   7.513  -5.269
   86   1HD1  LEU  13          HD11      LEU  13   1.877   8.112  -2.583
   87   2HD1  LEU  13          HD13      LEU  13   0.149   8.050  -2.893
   88   3HD1  LEU  13          HD12      LEU  13   1.106   6.589  -3.000
   89   1HD2  LEU  13          HD22      LEU  13   2.174   9.885  -4.279
   90   2HD2  LEU  13          HD21      LEU  13   1.566   9.672  -5.912
   91   3HD2  LEU  13          HD23      LEU  13   0.444   9.877  -4.582
   92    OH   TYR  14           OH       TYR  14   5.699   7.060 -10.613
   93    H    TYR  14           HN       TYR  14   2.302   5.807  -7.503
   94    HA   TYR  14           HA       TYR  14  -0.463   5.079  -7.427
   95   1HB   TYR  14           HB2      TYR  14   0.368   4.132  -9.954
   96   2HB   TYR  14           HB1      TYR  14  -0.145   5.756  -9.622
   97    HD1  TYR  14           HD2      TYR  14   1.556   7.430  -8.866
   98    HD2  TYR  14           HD1      TYR  14   2.617   3.759 -10.688
   99    HE1  TYR  14           HE2      TYR  14   3.792   8.341  -9.394
  100    HE2  TYR  14           HE1      TYR  14   4.858   4.681 -11.218
  101    HH   TYR  14           HH       TYR  14   5.589   7.688 -11.334
  102    H    GLN  15           HN       GLN  15   2.570   3.075  -7.372
  103    HA   GLN  15           HA       GLN  15   0.962   0.733  -7.744
  104   1HB   GLN  15           HB2      GLN  15   3.654   1.078  -7.665
  105   2HB   GLN  15           HB1      GLN  15   3.449   0.745  -5.951
  106   1HG   GLN  15           HG2      GLN  15   3.728  -1.522  -6.778
  107   2HG   GLN  15           HG1      GLN  15   2.000  -1.389  -6.944
  108   1HE2  GLN  15          HE21      GLN  15   2.249  -1.709 -10.423
  109   2HE2  GLN  15          HE22      GLN  15   1.187  -1.761  -9.100
  110    H    LEU  16           HN       LEU  16   1.079   2.693  -5.186
  111    HA   LEU  16           HA       LEU  16  -0.005   0.784  -3.324
  112   1HB   LEU  16           HB2      LEU  16   0.612   3.778  -3.000
  113   2HB   LEU  16           HB1      LEU  16   0.106   2.758  -1.687
  114    HG   LEU  16           HG       LEU  16   2.643   2.365  -3.363
  115   1HD1  LEU  16          HD11      LEU  16   2.200   3.149  -0.476
  116   2HD1  LEU  16          HD13      LEU  16   3.765   2.901  -1.259
  117   3HD1  LEU  16          HD12      LEU  16   2.723   4.221  -1.775
  118   1HD2  LEU  16          HD22      LEU  16   1.561   0.798  -0.961
  119   2HD2  LEU  16          HD21      LEU  16   1.721   0.178  -2.591
  120   3HD2  LEU  16          HD23      LEU  16   3.147   0.597  -1.687
  121    H    GLU  17           HN       GLU  17  -0.834   3.517  -5.184
  122    HA   GLU  17           HA       GLU  17  -3.613   3.786  -4.141
  123   1HB   GLU  17           HB2      GLU  17  -3.981   5.365  -5.914
  124   2HB   GLU  17           HB1      GLU  17  -2.256   5.497  -5.676
  125   1HG   GLU  17           HG2      GLU  17  -1.956   3.805  -7.444
  126   2HG   GLU  17           HG1      GLU  17  -3.633   3.786  -7.777
  127    H    ASN  18           HN       ASN  18  -2.118   2.036  -6.720
  128    HA   ASN  18           HA       ASN  18  -4.059   0.736  -8.110
  129   1HB   ASN  18           HB2      ASN  18  -1.668   0.677  -8.568
  130   2HB   ASN  18           HB1      ASN  18  -1.309   0.035  -6.998
  131   1HD2  ASN  18          HD21      ASN  18  -2.496  -3.110  -8.929
  132   2HD2  ASN  18          HD22      ASN  18  -3.679  -2.051  -8.298
  133    OH   TYR  19           OH       TYR  19  -0.434  -4.707  -7.579
  134    H    TYR  19           HN       TYR  19  -3.525   0.095  -4.808
  135    HA   TYR  19           HA       TYR  19  -5.515  -2.167  -4.854
  136   1HB   TYR  19           HB2      TYR  19  -3.126  -1.764  -3.021
  137   2HB   TYR  19           HB1      TYR  19  -4.145  -3.195  -3.026
  138    HD1  TYR  19           HD1      TYR  19  -4.216  -4.575  -5.143
  139    HD2  TYR  19           HD2      TYR  19  -1.362  -1.510  -4.522
  140    HE1  TYR  19           HE1      TYR  19  -2.744  -5.561  -6.877
  141    HE2  TYR  19           HE2      TYR  19   0.092  -2.498  -6.224
  142    HH   TYR  19           HH       TYR  19   0.472  -4.398  -7.425
  143    H    CYS  20           HN       CYS  20  -5.313   0.785  -4.148
  144    HA   CYS  20           HA       CYS  20  -6.956   1.242  -1.777
  145   1HB   CYS  20           HB2      CYS  20  -4.699   1.783  -1.567
  146   2HB   CYS  20           HB1      CYS  20  -4.618   2.432  -3.149
  147    HG   CYS  20           HG1      CYS  20  -4.829   4.586  -2.063
  148    H    ASN  21           HN       ASN  21  -8.402   2.792  -2.180
  149    HA   ASN  21           HA       ASN  21  -9.069   4.091  -4.668
  150   1HB   ASN  21           HB2      ASN  21 -11.244   2.425  -5.009
  151   2HB   ASN  21           HB1      ASN  21  -9.695   2.117  -5.754
  152   1HD2  ASN  21          HD21      ASN  21  -9.095  -0.786  -3.938
  153   2HD2  ASN  21          HD22      ASN  21  -8.470   0.380  -5.002
  154    H    PHE   1           HN       PHE   1   6.295   5.591  -4.182
  155    HA   PHE   1           HA       PHE   1   8.171   5.169  -5.717
  156   1HB   PHE   1           HB2      PHE   1   8.894   7.511  -6.920
  157   2HB   PHE   1           HB1      PHE   1   7.581   6.584  -7.614
  158    HD1  PHE   1           HD1      PHE   1   7.973   9.021  -4.775
  159    HD2  PHE   1           HD2      PHE   1   5.767   7.882  -8.213
  160    HE1  PHE   1           HE1      PHE   1   6.453  10.920  -4.423
  161    HE2  PHE   1           HE2      PHE   1   4.233   9.794  -7.864
  162    HZ   PHE   1           HZ       PHE   1   4.582  11.307  -5.970
  163    H    VAL   2           HN       VAL   2   7.858   5.850  -3.042
  164    HA   VAL   2           HA       VAL   2  10.383   7.048  -2.380
  165    HB   VAL   2           HB       VAL   2   8.380   8.316  -1.879
  166   1HG1  VAL   2          HG11      VAL   2   7.629   5.993  -0.042
  167   2HG1  VAL   2          HG13      VAL   2   6.830   7.547  -0.049
  168   3HG1  VAL   2          HG12      VAL   2   6.756   6.522  -1.465
  169   1HG2  VAL   2          HG21      VAL   2  10.314   8.660  -0.321
  170   2HG2  VAL   2          HG23      VAL   2   8.780   8.865   0.489
  171   3HG2  VAL   2          HG22      VAL   2   9.703   7.437   0.778
  172    H    ASN   3           HN       ASN   3  10.363   6.052   0.154
  173    HA   ASN   3           HA       ASN   3  11.436   3.414   0.120
  174   1HB   ASN   3           HB2      ASN   3  10.992   3.583   2.691
  175   2HB   ASN   3           HB1      ASN   3  11.897   4.918   2.005
  176   1HD2  ASN   3          HD21      ASN   3   8.132   6.138   2.344
  177   2HD2  ASN   3          HD22      ASN   3   8.493   4.909   1.207
  178    H    GLN   4           HN       GLN   4   9.818   2.099  -1.188
  179    HA   GLN   4           HA       GLN   4   7.237   1.497   0.237
  180   1HB   GLN   4           HB2      GLN   4   8.144   0.100  -2.235
  181   2HB   GLN   4           HB1      GLN   4   6.532   0.496  -1.692
  182   1HG   GLN   4           HG2      GLN   4   8.518   2.426  -3.024
  183   2HG   GLN   4           HG1      GLN   4   6.948   1.984  -3.591
  184   1HE2  GLN   4          HE21      GLN   4   6.333   4.540  -0.633
  185   2HE2  GLN   4          HE22      GLN   4   7.016   3.049  -0.192
  186    H    HIS   5           HN       HIS   5   8.438   0.849   1.911
  187    HA   HIS   5           HA       HIS   5   8.956  -2.121   1.967
  188   1HB   HIS   5           HB2      HIS   5  10.075  -0.112   3.934
  189   2HB   HIS   5           HB1      HIS   5  10.601  -1.761   3.651
  190    HD1  HIS   5           HD1      HIS   5  10.902  -1.660   0.616
  191    HD2  HIS   5           HD2      HIS   5  12.223   1.309   3.078
  192    HE1  HIS   5           HE1      HIS   5  12.720  -0.461  -0.608
  193    H    LEU   6           HN       LEU   6   6.339  -1.461   2.206
  194    HA   LEU   6           HA       LEU   6   5.690  -1.613   5.156
  195   1HB   LEU   6           HB2      LEU   6   3.924  -0.697   2.844
  196   2HB   LEU   6           HB1      LEU   6   3.510  -0.666   4.550
  197    HG   LEU   6           HG       LEU   6   5.876   0.871   3.458
  198   1HD1  LEU   6          HD12      LEU   6   3.698   1.685   2.471
  199   2HD1  LEU   6          HD11      LEU   6   3.036   1.800   4.097
  200   3HD1  LEU   6          HD13      LEU   6   4.356   2.850   3.611
  201   1HD2  LEU   6          HD22      LEU   6   4.258   1.064   6.047
  202   2HD2  LEU   6          HD21      LEU   6   5.869   0.395   5.911
  203   3HD2  LEU   6          HD23      LEU   6   5.606   2.095   5.619
  204    H    CYS   7           HN       CYS   7   4.092  -3.260   5.697
  205    HA   CYS   7           HA       CYS   7   3.657  -5.310   3.489
  206   1HB   CYS   7           HB2      CYS   7   5.623  -5.566   5.107
  207   2HB   CYS   7           HB1      CYS   7   4.442  -6.330   6.144
  208    HG   CYS   7           HG1      CYS   7   4.277  -8.259   4.520
  209    H    GLY   8           HN       GLY   8   2.602  -4.933   6.840
  210   1HA   GLY   8           HA2      GLY   8  -0.045  -6.208   6.120
  211   2HA   GLY   8           HA1      GLY   8   0.635  -6.254   7.723
  212    H    ASP   9           HN       ASP   9  -0.346  -5.063   9.105
  213    HA   ASP   9           HA       ASP   9  -2.392  -3.188   8.618
  214   1HB   ASP   9           HB2      ASP   9  -0.474  -3.779  10.967
  215   2HB   ASP   9           HB1      ASP   9  -2.022  -2.940  11.113
  216    H    HIS  10           HN       HIS  10   0.948  -2.803   9.393
  217    HA   HIS  10           HA       HIS  10   1.132   0.054   8.628
  218   1HB   HIS  10           HB2      HIS  10   2.420  -0.871  10.491
  219   2HB   HIS  10           HB1      HIS  10   3.228  -2.021   9.402
  220    HD1  HIS  10           HD1      HIS  10   2.670   1.689   9.357
  221    HD2  HIS  10           HD2      HIS  10   5.683  -0.969   8.650
  222    HE1  HIS  10           HE1      HIS  10   4.662   3.029   8.711
  223    H    LEU  11           HN       LEU  11   0.304  -0.302   6.821
  224    HA   LEU  11           HA       LEU  11   1.484  -0.006   4.349
  225   1HB   LEU  11           HB2      LEU  11   2.204  -2.457   4.524
  226   2HB   LEU  11           HB1      LEU  11   0.536  -2.933   4.646
  227    HG   LEU  11           HG       LEU  11   1.623  -1.378   2.266
  228   1HD1  LEU  11          HD11      LEU  11   1.085  -4.342   2.622
  229   2HD1  LEU  11          HD13      LEU  11   1.571  -3.572   1.131
  230   3HD1  LEU  11          HD12      LEU  11   2.671  -3.603   2.474
  231   1HD2  LEU  11          HD22      LEU  11  -0.933  -2.999   2.708
  232   2HD2  LEU  11          HD21      LEU  11  -0.872  -1.265   2.433
  233   3HD2  LEU  11          HD23      LEU  11  -0.377  -2.343   1.195
  234    H    VAL  12           HN       VAL  12  -1.286  -2.061   5.463
  235    HA   VAL  12           HA       VAL  12  -3.159  -0.825   3.652
  236    HB   VAL  12           HB       VAL  12  -4.003  -2.680   4.970
  237   1HG1  VAL  12          HG12      VAL  12  -2.560  -2.300   6.901
  238   2HG1  VAL  12          HG11      VAL  12  -3.504  -0.931   7.442
  239   3HG1  VAL  12          HG13      VAL  12  -4.202  -2.531   7.463
  240   1HG2  VAL  12          HG21      VAL  12  -5.639  -0.821   4.471
  241   2HG2  VAL  12          HG23      VAL  12  -6.069  -1.641   5.971
  242   3HG2  VAL  12          HG22      VAL  12  -5.278  -0.085   6.013
  243    H    GLU  13           HN       GLU  13  -2.116   0.157   6.839
  244    HA   GLU  13           HA       GLU  13  -3.498   2.418   7.485
  245   1HB   GLU  13           HB2      GLU  13  -1.834   1.174   8.782
  246   2HB   GLU  13           HB1      GLU  13  -0.575   1.546   7.631
  247   1HG   GLU  13           HG2      GLU  13  -0.688   3.906   8.252
  248   2HG   GLU  13           HG1      GLU  13  -1.998   3.541   9.381
  249    H    ALA  14           HN       ALA  14  -0.886   2.003   5.310
  250    HA   ALA  14           HA       ALA  14  -0.728   4.717   4.430
  251   1HB   ALA  14           HB2      ALA  14   1.219   2.992   4.265
  252   2HB   ALA  14           HB1      ALA  14   0.322   2.117   3.047
  253   3HB   ALA  14           HB3      ALA  14   0.917   3.706   2.687
  254    H    LEU  15           HN       LEU  15  -2.095   1.891   2.933
  255    HA   LEU  15           HA       LEU  15  -3.162   3.095   0.562
  256   1HB   LEU  15           HB2      LEU  15  -4.600   1.032   2.309
  257   2HB   LEU  15           HB1      LEU  15  -4.910   1.322   0.616
  258    HG   LEU  15           HG       LEU  15  -2.241   0.271   1.699
  259   1HD1  LEU  15          HD12      LEU  15  -4.255  -1.248   1.923
  260   2HD1  LEU  15          HD11      LEU  15  -4.523  -1.084   0.199
  261   3HD1  LEU  15          HD13      LEU  15  -3.059  -1.847   0.806
  262   1HD2  LEU  15          HD21      LEU  15  -2.162   1.566  -0.502
  263   2HD2  LEU  15          HD23      LEU  15  -1.743  -0.106  -0.662
  264   3HD2  LEU  15          HD22      LEU  15  -3.319   0.430  -1.157
  265    OH   TYR  16           OH       TYR  16 -10.780   5.268   8.316
  266    H    TYR  16           HN       TYR  16  -4.551   2.912   3.697
  267    HA   TYR  16           HA       TYR  16  -7.016   4.273   3.392
  268   1HB   TYR  16           HB2      TYR  16  -5.930   2.935   5.423
  269   2HB   TYR  16           HB1      TYR  16  -5.252   4.475   5.871
  270    HD1  TYR  16           HD2      TYR  16  -8.356   5.430   4.528
  271    HD2  TYR  16           HD1      TYR  16  -6.693   3.409   7.891
  272    HE1  TYR  16           HE2      TYR  16 -10.357   5.940   5.843
  273    HE2  TYR  16           HE1      TYR  16  -8.738   3.951   9.182
  274    HH   TYR  16           HH       TYR  16 -10.848   6.225   8.329
  275    H    LEU  17           HN       LEU  17  -3.897   5.510   3.586
  276    HA   LEU  17           HA       LEU  17  -4.667   8.359   3.922
  277   1HB   LEU  17           HB2      LEU  17  -2.644   7.152   5.001
  278   2HB   LEU  17           HB1      LEU  17  -1.935   7.045   3.412
  279    HG   LEU  17           HG       LEU  17  -2.680   9.707   4.696
  280   1HD1  LEU  17          HD11      LEU  17  -0.013   8.216   4.518
  281   2HD1  LEU  17          HD13      LEU  17  -0.228   9.830   5.175
  282   3HD1  LEU  17          HD12      LEU  17  -0.939   8.447   5.989
  283   1HD2  LEU  17          HD22      LEU  17  -0.844   8.937   2.366
  284   2HD2  LEU  17          HD21      LEU  17  -2.401   9.722   2.190
  285   3HD2  LEU  17          HD23      LEU  17  -1.094  10.567   2.974
  286    H    VAL  18           HN       VAL  18  -3.083   6.298   1.557
  287    HA   VAL  18           HA       VAL  18  -2.836   8.013  -0.685
  288    HB   VAL  18           HB       VAL  18  -3.584   5.100  -0.631
  289   1HG1  VAL  18          HG11      VAL  18  -2.640   6.948  -2.917
  290   2HG1  VAL  18          HG13      VAL  18  -2.778   5.208  -3.051
  291   3HG1  VAL  18          HG12      VAL  18  -4.207   6.193  -2.836
  292   1HG2  VAL  18          HG22      VAL  18  -1.000   6.591  -1.088
  293   2HG2  VAL  18          HG21      VAL  18  -1.442   5.688   0.362
  294   3HG2  VAL  18          HG23      VAL  18  -1.212   4.839  -1.165
  295    H    CYS  19           HN       CYS  19  -5.557   5.843  -0.096
  296    HA   CYS  19           HA       CYS  19  -7.421   7.680  -1.538
  297   1HB   CYS  19           HB2      CYS  19  -7.810   4.688  -1.175
  298   2HB   CYS  19           HB1      CYS  19  -8.584   5.735  -2.316
  299    HG   CYS  19           HG1      CYS  19  -6.752   5.503  -3.958
  300    H    GLY  20           HN       GLY  20  -7.999   8.746   0.201
  301   1HA   GLY  20           HA2      GLY  20  -9.014   7.291   2.628
  302   2HA   GLY  20           HA1      GLY  20  -8.464   8.952   2.643
  303    H    GLU  21           HN       GLU  21 -10.583   7.346   0.546
  304    HA   GLU  21           HA       GLU  21 -12.934   9.110   1.209
  305   1HB   GLU  21           HB2      GLU  21 -13.606   8.792  -1.201
  306   2HB   GLU  21           HB1      GLU  21 -12.027   9.557  -1.056
  307   1HG   GLU  21           HG2      GLU  21 -12.547   6.671  -2.023
  308   2HG   GLU  21           HG1      GLU  21 -11.850   8.002  -2.894
  309    NH1  ARG  22           NH1      ARG  22 -12.578   0.045   0.460
  310    NH2  ARG  22           NH2      ARG  22 -12.073  -0.982  -1.425
  311    H    ARG  22           HN       ARG  22 -12.170   6.191  -0.151
  312    HA   ARG  22           HA       ARG  22 -14.395   4.701   0.858
  313   1HB   ARG  22           HB2      ARG  22 -14.242   5.068  -1.588
  314   2HB   ARG  22           HB1      ARG  22 -12.621   4.440  -1.478
  315   1HG   ARG  22           HG2      ARG  22 -14.619   2.527  -0.434
  316   2HG   ARG  22           HG1      ARG  22 -14.836   2.905  -2.138
  317   1HD   ARG  22           HD2      ARG  22 -12.654   2.348  -2.715
  318   2HD   ARG  22           HD1      ARG  22 -12.038   2.428  -1.074
  319    HE   ARG  22           HE       ARG  22 -14.137   0.379  -1.883
  320   1HH1  ARG  22          HH12      ARG  22 -13.046   0.822   0.883
  321   2HH1  ARG  22          HH11      ARG  22 -12.061  -0.624   0.982
  322   1HH2  ARG  22          HH22      ARG  22 -12.138  -0.892  -2.415
  323   2HH2  ARG  22          HH21      ARG  22 -11.594  -1.711  -0.962
  324    H    GLY  23           HN       GLY  23 -11.157   4.755   0.322
  325   1HA   GLY  23           HA2      GLY  23  -9.494   3.913   1.840
  326   2HA   GLY  23           HA1      GLY  23 -10.556   2.614   2.303
  327    H    PHE  24           HN       PHE  24 -10.252   0.776   1.418
  328    HA   PHE  24           HA       PHE  24  -8.931   0.329  -1.166
  329   1HB   PHE  24           HB2      PHE  24  -6.822  -0.715   0.115
  330   2HB   PHE  24           HB1      PHE  24  -6.989   1.043   0.152
  331    HD1  PHE  24           HD1      PHE  24  -8.128  -1.967   1.990
  332    HD2  PHE  24           HD2      PHE  24  -7.295   2.193   2.151
  333    HE1  PHE  24           HE1      PHE  24  -8.526  -2.000   4.429
  334    HE2  PHE  24           HE2      PHE  24  -7.699   2.167   4.586
  335    HZ   PHE  24           HZ       PHE  24  -8.315   0.084   5.718
  336    H    PHE  25           HN       PHE  25  -7.969  -2.065  -1.186
  337    HA   PHE  25           HA       PHE  25 -10.005  -3.941   0.038
  338   1HB   PHE  25           HB2      PHE  25 -10.163  -5.178  -2.086
  339   2HB   PHE  25           HB1      PHE  25 -10.600  -3.522  -2.387
  340    HD1  PHE  25           HD1      PHE  25  -7.656  -5.834  -2.618
  341    HD2  PHE  25           HD2      PHE  25  -9.649  -2.427  -4.181
  342    HE1  PHE  25           HE1      PHE  25  -6.049  -5.746  -4.461
  343    HE2  PHE  25           HE2      PHE  25  -8.032  -2.328  -6.034
  344    HZ   PHE  25           HZ       PHE  25  -6.241  -3.981  -6.182
  345    OH   TYR  26           OH       TYR  26  -1.466  -6.036   4.489
  346    H    TYR  26           HN       TYR  26  -6.815  -3.642  -1.336
  347    HA   TYR  26           HA       TYR  26  -5.216  -5.553  -1.393
  348   1HB   TYR  26           HB2      TYR  26  -4.011  -3.784  -0.612
  349   2HB   TYR  26           HB1      TYR  26  -5.221  -3.307   0.542
  350    HD1  TYR  26           HD2      TYR  26  -2.298  -5.585   0.057
  351    HD2  TYR  26           HD1      TYR  26  -5.024  -3.853   2.837
  352    HE1  TYR  26           HE2      TYR  26  -0.925  -6.391   1.942
  353    HE2  TYR  26           HE1      TYR  26  -3.625  -4.694   4.692
  354    HH   TYR  26           HH       TYR  26  -0.538  -6.002   4.190
  355    H    THR  27           HN       THR  27  -5.977  -5.507   2.035
  356    HA   THR  27           HA       THR  27  -6.619  -7.156   3.549
  357    HB   THR  27           HB       THR  27  -6.496  -9.182   1.232
  358    HG1  THR  27           HG1      THR  27  -8.132  -7.372   1.469
  359   1HG2  THR  27          HG21      THR  27  -7.752  -9.212   4.035
  360   2HG2  THR  27          HG23      THR  27  -7.767 -10.514   2.865
  361   3HG2  THR  27          HG22      THR  27  -6.280 -10.113   3.708
  362    HA   PRO  28           HA       PRO  28  -3.079 -10.849   3.161
  363   1HB   PRO  28           HB2      PRO  28  -1.365  -8.359   2.933
  364   2HB   PRO  28           HB1      PRO  28  -0.845 -10.038   2.773
  365   1HG   PRO  28           HG2      PRO  28  -1.524  -8.804   0.517
  366   2HG   PRO  28           HG1      PRO  28  -2.235 -10.394   0.796
  367   1HD   PRO  28           HD1      PRO  28  -3.526  -7.677   1.062
  368   2HD   PRO  28           HD2      PRO  28  -4.241  -9.218   0.560
  369    H    LYS  29           HN       LYS  29  -4.550 -10.590   5.026
  370    HA   LYS  29           HA       LYS  29  -2.978  -9.815   7.453
  371   1HB   LYS  29           HB2      LYS  29  -4.999  -8.290   6.555
  372   2HB   LYS  29           HB1      LYS  29  -6.004  -9.531   7.201
  373   1HG   LYS  29           HG2      LYS  29  -5.751  -7.836   8.936
  374   2HG   LYS  29           HG1      LYS  29  -4.875  -9.229   9.482
  375   1HD   LYS  29           HD2      LYS  29  -3.617  -7.113   9.823
  376   2HD   LYS  29           HD1      LYS  29  -2.680  -8.155   8.821
  377   1HE   LYS  29           HE2      LYS  29  -4.575  -6.164   7.536
  378   2HE   LYS  29           HE1      LYS  29  -3.046  -5.579   8.169
  379   1HZ   LYS  29           HZ1      LYS  29  -2.455  -7.928   6.751
  380   2HZ   LYS  29           HZ3      LYS  29  -3.487  -7.117   5.769
  381   3HZ   LYS  29           HZ2      LYS  29  -2.092  -6.397   6.195
  382    H    THR  30           HN       THR  30  -3.927 -10.896   9.492
  383    HA   THR  30           HA       THR  30  -4.567 -13.770   8.859
  384    HB   THR  30           HB       THR  30  -3.420 -14.286  11.089
  385    HG1  THR  30           HG1      THR  30  -2.118 -12.059  11.360
  386   1HG2  THR  30          HG21      THR  30  -1.709 -12.438   9.315
  387   2HG2  THR  30          HG23      THR  30  -1.123 -13.712  10.377
  388   3HG2  THR  30          HG22      THR  30  -1.988 -14.119   8.907
   
  Start of MODEL           7
 Raw file had  388 H/Q atoms
  Start of MODEL    7
    1    H    GLY   1           HN       GLY   1   0.075  -9.624  -2.024
    2   1HA   GLY   1           HA2      GLY   1  -0.734  -8.492  -4.018
    3   2HA   GLY   1           HA1      GLY   1  -2.386  -8.619  -3.418
    4    H    ILE   2           HN       ILE   2   0.629  -7.326  -2.595
    5    HA   ILE   2           HA       ILE   2   0.743  -4.674  -2.605
    6    HB   ILE   2           HB       ILE   2  -1.478  -4.393  -1.541
    7   1HG1  ILE   2          HG12      ILE   2   0.861  -3.595   0.264
    8   2HG1  ILE   2          HG11      ILE   2   0.232  -2.664  -1.060
    9   1HG2  ILE   2          HG22      ILE   2  -1.559  -6.491  -0.100
   10   2HG2  ILE   2          HG21      ILE   2  -0.399  -5.743   0.996
   11   3HG2  ILE   2          HG23      ILE   2  -1.990  -5.060   0.779
   12   1HD1  ILE   2           HD2      ILE   2  -1.946  -2.360   0.229
   13   2HD1  ILE   2           HD1      ILE   2  -1.273  -3.298   1.540
   14   3HD1  ILE   2           HD3      ILE   2  -0.569  -1.772   1.141
   15    H    VAL   3           HN       VAL   3   0.561  -7.036  -0.204
   16    HA   VAL   3           HA       VAL   3   2.558  -6.385   1.617
   17    HB   VAL   3           HB       VAL   3   1.781  -9.153   0.518
   18   1HG1  VAL   3          HG11      VAL   3   2.947  -8.356   3.224
   19   2HG1  VAL   3          HG13      VAL   3   2.450  -9.976   2.751
   20   3HG1  VAL   3          HG12      VAL   3   3.808  -9.211   1.951
   21   1HG2  VAL   3          HG22      VAL   3   0.626  -7.522   2.852
   22   2HG2  VAL   3          HG21      VAL   3  -0.194  -7.849   1.338
   23   3HG2  VAL   3          HG23      VAL   3   0.158  -9.163   2.431
   24    H    GLU   4           HN       GLU   4   3.245  -8.776  -0.931
   25    HA   GLU   4           HA       GLU   4   6.030  -8.543  -0.623
   26   1HB   GLU   4           HB2      GLU   4   6.052  -9.727  -2.857
   27   2HB   GLU   4           HB1      GLU   4   4.764 -10.349  -1.854
   28   1HG   GLU   4           HG2      GLU   4   4.428  -8.391  -4.186
   29   2HG   GLU   4           HG1      GLU   4   3.872 -10.039  -4.113
   30    H    GLN   5           HN       GLN   5   4.067  -6.792  -2.976
   31    HA   GLN   5           HA       GLN   5   6.038  -5.195  -4.227
   32   1HB   GLN   5           HB2      GLN   5   3.177  -4.532  -3.366
   33   2HB   GLN   5           HB1      GLN   5   4.087  -3.515  -4.476
   34   1HG   GLN   5           HG2      GLN   5   4.237  -5.330  -6.132
   35   2HG   GLN   5           HG1      GLN   5   3.632  -6.522  -5.016
   36   1HE2  GLN   5          HE21      GLN   5   0.274  -5.606  -5.505
   37   2HE2  GLN   5          HE22      GLN   5   1.398  -6.395  -4.475
   38    H    CYS   6           HN       CYS   6   4.457  -4.187  -1.179
   39    HA   CYS   6           HA       CYS   6   6.744  -2.203  -0.909
   40   1HB   CYS   6           HB2      CYS   6   3.916  -2.110   0.117
   41   2HB   CYS   6           HB1      CYS   6   5.163  -1.047   0.712
   42    HG   CYS   6           HG1      CYS   6   5.214   0.199  -1.477
   43    H    CYS   7           HN       CYS   7   5.298  -4.815   0.779
   44    HA   CYS   7           HA       CYS   7   6.877  -4.208   3.245
   45   1HB   CYS   7           HB2      CYS   7   4.526  -4.504   3.451
   46   2HB   CYS   7           HB1      CYS   7   4.514  -5.971   2.562
   47    HG   CYS   7           HG1      CYS   7   5.338  -7.286   4.587
   48    H    THR   8           HN       THR   8   7.828  -5.231   0.735
   49    HA   THR   8           HA       THR   8   9.814  -7.221   1.672
   50    HB   THR   8           HB       THR   8   8.077  -8.005  -0.775
   51    HG1  THR   8           HG1      THR   8   7.763  -8.361   1.928
   52   1HG2  THR   8          HG21      THR   8   9.993  -9.594   0.963
   53   2HG2  THR   8          HG23      THR   8   9.156 -10.138  -0.475
   54   3HG2  THR   8          HG22      THR   8  10.455  -8.958  -0.615
   55    H    SER   9           HN       SER   9   8.419  -5.804  -1.137
   56    HA   SER   9           HA       SER   9  11.046  -4.970  -2.308
   57   1HB   SER   9           HB2      SER   9   9.572  -6.554  -3.647
   58   2HB   SER   9           HB1      SER   9   8.297  -5.334  -3.635
   59    HG   SER   9           HG1      SER   9   9.358  -4.469  -5.318
   60    H    ILE  10           HN       ILE  10   9.557  -3.171  -4.057
   61    HA   ILE  10           HA       ILE  10   8.809  -0.891  -2.376
   62    HB   ILE  10           HB       ILE  10  11.129  -0.547  -3.159
   63   1HG1  ILE  10          HG12      ILE  10   8.951   1.140  -4.523
   64   2HG1  ILE  10          HG11      ILE  10   9.855   1.498  -3.083
   65   1HG2  ILE  10          HG22      ILE  10  10.999  -2.133  -5.078
   66   2HG2  ILE  10          HG21      ILE  10   9.971  -1.005  -5.949
   67   3HG2  ILE  10          HG23      ILE  10  11.639  -0.586  -5.582
   68   1HD1  ILE  10           HD2      ILE  10  11.953   1.740  -4.456
   69   2HD1  ILE  10           HD1      ILE  10  11.039   1.380  -5.905
   70   3HD1  ILE  10           HD3      ILE  10  10.696   2.840  -5.020
   71    H    CYS  11           HN       CYS  11   7.305   0.261  -3.362
   72    HA   CYS  11           HA       CYS  11   6.127  -0.350  -5.972
   73   1HB   CYS  11           HB2      CYS  11   4.187  -1.289  -5.126
   74   2HB   CYS  11           HB1      CYS  11   5.224  -1.626  -3.795
   75    HG   CYS  11           HG1      CYS  11   2.988   0.486  -3.723
   76    H    SER  12           HN       SER  12   4.477   0.835  -6.347
   77    HA   SER  12           HA       SER  12   4.737   3.834  -6.276
   78   1HB   SER  12           HB2      SER  12   4.777   2.726  -8.447
   79   2HB   SER  12           HB1      SER  12   3.101   2.215  -8.193
   80    HG   SER  12           HG1      SER  12   3.840   4.587  -9.030
   81    H    LEU  13           HN       LEU  13   3.140   5.248  -6.510
   82    HA   LEU  13           HA       LEU  13   1.187   5.234  -4.337
   83   1HB   LEU  13           HB2      LEU  13   2.267   7.341  -5.121
   84   2HB   LEU  13           HB1      LEU  13   1.773   7.062  -6.768
   85    HG   LEU  13           HG       LEU  13  -0.668   7.335  -5.966
   86   1HD1  LEU  13          HD12      LEU  13  -0.155   6.817  -3.592
   87   2HD1  LEU  13          HD11      LEU  13   0.786   8.295  -3.463
   88   3HD1  LEU  13          HD13      LEU  13  -0.943   8.366  -3.766
   89   1HD2  LEU  13          HD21      LEU  13   0.671   9.214  -7.001
   90   2HD2  LEU  13          HD23      LEU  13  -0.452   9.775  -5.775
   91   3HD2  LEU  13          HD22      LEU  13   1.252   9.639  -5.395
   92    OH   TYR  14           OH       TYR  14   4.400   5.377 -11.178
   93    H    TYR  14           HN       TYR  14   0.725   5.568  -7.763
   94    HA   TYR  14           HA       TYR  14  -2.052   4.849  -7.725
   95   1HB   TYR  14           HB2      TYR  14  -1.435   3.903 -10.190
   96   2HB   TYR  14           HB1      TYR  14  -1.548   5.620  -9.892
   97    HD1  TYR  14           HD1      TYR  14   0.535   6.933  -9.474
   98    HD2  TYR  14           HD2      TYR  14   0.662   2.890 -10.784
   99    HE1  TYR  14           HE1      TYR  14   2.903   7.213 -10.150
  100    HE2  TYR  14           HE2      TYR  14   3.027   3.203 -11.456
  101    HH   TYR  14           HH       TYR  14   4.403   5.711 -12.079
  102    H    GLN  15           HN       GLN  15   0.814   2.769  -7.371
  103    HA   GLN  15           HA       GLN  15  -1.086   0.507  -7.891
  104   1HB   GLN  15           HB2      GLN  15   0.779  -0.811  -8.085
  105   2HB   GLN  15           HB1      GLN  15   1.478   0.706  -8.519
  106   1HG   GLN  15           HG2      GLN  15   2.489   0.895  -6.240
  107   2HG   GLN  15           HG1      GLN  15   1.741  -0.617  -5.776
  108   1HE2  GLN  15          HE21      GLN  15   3.960  -2.562  -7.692
  109   2HE2  GLN  15          HE22      GLN  15   2.439  -2.529  -6.910
  110    H    LEU  16           HN       LEU  16   0.526   1.755  -5.146
  111    HA   LEU  16           HA       LEU  16  -0.534   0.093  -3.156
  112   1HB   LEU  16           HB2      LEU  16   0.034   3.097  -3.089
  113   2HB   LEU  16           HB1      LEU  16  -0.779   2.406  -1.712
  114    HG   LEU  16           HG       LEU  16   2.003   1.728  -2.754
  115   1HD1  LEU  16          HD12      LEU  16   1.848   3.690  -1.248
  116   2HD1  LEU  16          HD11      LEU  16   1.017   2.711  -0.048
  117   3HD1  LEU  16          HD13      LEU  16   2.683   2.373  -0.453
  118   1HD2  LEU  16          HD22      LEU  16   0.490   0.366  -0.432
  119   2HD2  LEU  16          HD21      LEU  16   0.926  -0.453  -1.917
  120   3HD2  LEU  16          HD23      LEU  16   2.161   0.083  -0.817
  121    H    GLU  17           HN       GLU  17  -2.040   2.809  -4.726
  122    HA   GLU  17           HA       GLU  17  -4.582   2.958  -3.581
  123   1HB   GLU  17           HB2      GLU  17  -3.844   2.997  -6.542
  124   2HB   GLU  17           HB1      GLU  17  -5.411   3.495  -5.929
  125   1HG   GLU  17           HG2      GLU  17  -2.882   4.704  -4.821
  126   2HG   GLU  17           HG1      GLU  17  -3.625   5.348  -6.262
  127    H    ASN  18           HN       ASN  18  -3.774   0.884  -6.211
  128    HA   ASN  18           HA       ASN  18  -6.071  -0.644  -6.590
  129   1HB   ASN  18           HB2      ASN  18  -3.957  -0.738  -7.961
  130   2HB   ASN  18           HB1      ASN  18  -3.120  -1.525  -6.664
  131   1HD2  ASN  18          HD21      ASN  18  -5.635  -4.286  -7.752
  132   2HD2  ASN  18          HD22      ASN  18  -6.087  -3.090  -6.625
  133    OH   TYR  19           OH       TYR  19   0.479  -2.378  -6.463
  134    H    TYR  19           HN       TYR  19  -3.802  -0.967  -4.007
  135    HA   TYR  19           HA       TYR  19  -5.576  -2.970  -2.620
  136   1HB   TYR  19           HB2      TYR  19  -2.958  -3.196  -1.532
  137   2HB   TYR  19           HB1      TYR  19  -3.705  -4.396  -2.538
  138    HD1  TYR  19           HD2      TYR  19  -3.370  -4.260  -5.037
  139    HD2  TYR  19           HD1      TYR  19  -1.197  -1.857  -2.312
  140    HE1  TYR  19           HE2      TYR  19  -1.667  -3.808  -6.783
  141    HE2  TYR  19           HE1      TYR  19   0.514  -1.435  -4.070
  142    HH   TYR  19           HH       TYR  19   0.599  -3.226  -6.908
  143    H    CYS  20           HN       CYS  20  -5.534  -0.057  -2.426
  144    HA   CYS  20           HA       CYS  20  -4.778   0.558   0.404
  145   1HB   CYS  20           HB2      CYS  20  -3.926   2.000  -1.236
  146   2HB   CYS  20           HB1      CYS  20  -5.516   2.295  -1.911
  147    HG   CYS  20           HG1      CYS  20  -4.208   3.749   0.308
  148    H    ASN  21           HN       ASN  21  -7.107   2.712  -0.102
  149    HA   ASN  21           HA       ASN  21  -9.298   0.915   0.781
  150   1HB   ASN  21           HB2      ASN  21  -8.537   3.713   1.890
  151   2HB   ASN  21           HB1      ASN  21  -9.697   2.650   2.644
  152   1HD2  ASN  21          HD21      ASN  21  -6.230   2.283   4.129
  153   2HD2  ASN  21          HD22      ASN  21  -6.967   3.741   3.645
  154    H    PHE   1           HN       PHE   1   6.057  10.443  -4.742
  155    HA   PHE   1           HA       PHE   1   5.986   8.701  -2.836
  156   1HB   PHE   1           HB2      PHE   1   4.152   8.559  -5.255
  157   2HB   PHE   1           HB1      PHE   1   3.806   7.714  -3.749
  158    HD1  PHE   1           HD1      PHE   1   3.894   9.125  -1.574
  159    HD2  PHE   1           HD2      PHE   1   3.476  10.828  -5.447
  160    HE1  PHE   1           HE1      PHE   1   2.987  11.173  -0.570
  161    HE2  PHE   1           HE2      PHE   1   2.564  12.879  -4.444
  162    HZ   PHE   1           HZ       PHE   1   2.319  13.051  -2.005
  163    H    VAL   2           HN       VAL   2   8.116   7.676  -3.469
  164    HA   VAL   2           HA       VAL   2   7.887   5.073  -4.650
  165    HB   VAL   2           HB       VAL   2  10.441   5.075  -4.333
  166   1HG1  VAL   2          HG11      VAL   2   9.196   7.429  -5.841
  167   2HG1  VAL   2          HG13      VAL   2  10.797   6.784  -6.134
  168   3HG1  VAL   2          HG12      VAL   2   9.383   5.806  -6.471
  169   1HG2  VAL   2          HG21      VAL   2  10.540   6.788  -2.455
  170   2HG2  VAL   2          HG23      VAL   2  11.508   7.271  -3.828
  171   3HG2  VAL   2          HG22      VAL   2   9.952   8.015  -3.562
  172    H    ASN   3           HN       ASN   3   6.750   3.978  -3.211
  173    HA   ASN   3           HA       ASN   3   7.268   3.878  -0.334
  174   1HB   ASN   3           HB2      ASN   3   5.430   2.140  -2.046
  175   2HB   ASN   3           HB1      ASN   3   5.241   2.497  -0.341
  176   1HD2  ASN   3          HD21      ASN   3   3.934   5.089  -3.064
  177   2HD2  ASN   3          HD22      ASN   3   4.787   3.690  -3.537
  178    H    GLN   4           HN       GLN   4   9.170   2.849   0.277
  179    HA   GLN   4           HA       GLN   4  10.030   0.375  -1.022
  180   1HB   GLN   4           HB2      GLN   4  11.396   1.551   1.420
  181   2HB   GLN   4           HB1      GLN   4  12.095   0.771   0.017
  182   1HG   GLN   4           HG2      GLN   4  10.996   3.626  -0.109
  183   2HG   GLN   4           HG1      GLN   4  12.673   3.217   0.168
  184   1HE2  GLN   4          HE21      GLN   4  11.624   3.532  -3.493
  185   2HE2  GLN   4          HE22      GLN   4  10.813   4.303  -2.194
  186    H    HIS   5           HN       HIS   5  11.149  -0.702   0.969
  187    HA   HIS   5           HA       HIS   5   9.555  -2.708   2.013
  188   1HB   HIS   5           HB2      HIS   5  12.056  -1.782   3.471
  189   2HB   HIS   5           HB1      HIS   5  11.542  -3.428   3.140
  190    HD1  HIS   5           HD1      HIS   5  10.969  -2.860   0.096
  191    HD2  HIS   5           HD2      HIS   5  14.448  -1.954   2.015
  192    HE1  HIS   5           HE1      HIS   5  12.737  -2.718  -1.662
  193    H    LEU   6           HN       LEU   6   7.723  -1.291   2.761
  194    HA   LEU   6           HA       LEU   6   7.809  -0.859   5.742
  195   1HB   LEU   6           HB2      LEU   6   5.969   0.827   5.310
  196   2HB   LEU   6           HB1      LEU   6   7.469   1.210   4.512
  197    HG   LEU   6           HG       LEU   6   6.228  -0.128   2.478
  198   1HD1  LEU   6          HD11      LEU   6   4.040   1.201   4.099
  199   2HD1  LEU   6          HD13      LEU   6   3.866   0.505   2.493
  200   3HD1  LEU   6          HD12      LEU   6   4.214  -0.535   3.862
  201   1HD2  LEU   6          HD22      LEU   6   5.712   2.761   3.325
  202   2HD2  LEU   6          HD21      LEU   6   7.125   2.192   2.442
  203   3HD2  LEU   6          HD23      LEU   6   5.538   2.121   1.699
  204    H    CYS   7           HN       CYS   7   6.382  -2.064   6.981
  205    HA   CYS   7           HA       CYS   7   4.532  -3.901   5.484
  206   1HB   CYS   7           HB2      CYS   7   6.633  -4.754   6.602
  207   2HB   CYS   7           HB1      CYS   7   5.837  -4.504   8.131
  208    HG   CYS   7           HG1      CYS   7   4.454  -6.553   7.755
  209    H    GLY   8           HN       GLY   8   3.043  -5.103   6.801
  210   1HA   GLY   8           HA2      GLY   8   0.684  -4.915   7.281
  211   2HA   GLY   8           HA1      GLY   8   1.453  -4.905   8.849
  212    H    ASP   9           HN       ASP   9   1.470  -3.164  10.023
  213    HA   ASP   9           HA       ASP   9  -0.801  -1.398   9.753
  214   1HB   ASP   9           HB2      ASP   9   1.648  -1.235  11.664
  215   2HB   ASP   9           HB1      ASP   9   0.006  -0.710  12.011
  216    H    HIS  10           HN       HIS  10   2.640  -0.777   9.594
  217    HA   HIS  10           HA       HIS  10   2.503   2.013   8.813
  218   1HB   HIS  10           HB2      HIS  10   4.479   0.663   9.661
  219   2HB   HIS  10           HB1      HIS  10   4.596  -0.083   8.066
  220    HD1  HIS  10           HD1      HIS  10   4.068   3.584   8.731
  221    HD2  HIS  10           HD2      HIS  10   6.946   1.109   7.211
  222    HE1  HIS  10           HE1      HIS  10   5.830   5.033   7.808
  223    H    LEU  11           HN       LEU  11   2.264  -0.922   7.063
  224    HA   LEU  11           HA       LEU  11   2.223   0.163   4.365
  225   1HB   LEU  11           HB2      LEU  11   2.697  -2.243   4.855
  226   2HB   LEU  11           HB1      LEU  11   1.101  -2.452   5.542
  227    HG   LEU  11           HG       LEU  11   0.079  -1.997   3.323
  228   1HD1  LEU  11          HD11      LEU  11   3.013  -1.922   2.422
  229   2HD1  LEU  11          HD13      LEU  11   1.632  -1.902   1.342
  230   3HD1  LEU  11          HD12      LEU  11   1.918  -0.551   2.403
  231   1HD2  LEU  11          HD21      LEU  11   0.722  -4.304   4.045
  232   2HD2  LEU  11          HD23      LEU  11   0.887  -4.122   2.309
  233   3HD2  LEU  11          HD22      LEU  11   2.311  -4.079   3.330
  234    H    VAL  12           HN       VAL  12  -0.528  -0.943   6.423
  235    HA   VAL  12           HA       VAL  12  -2.471   0.259   4.675
  236    HB   VAL  12           HB       VAL  12  -3.340  -1.158   6.539
  237   1HG1  VAL  12          HG11      VAL  12  -2.259   1.065   8.355
  238   2HG1  VAL  12          HG13      VAL  12  -3.175  -0.328   8.884
  239   3HG1  VAL  12          HG12      VAL  12  -1.611  -0.547   8.142
  240   1HG2  VAL  12          HG21      VAL  12  -4.744   0.748   5.642
  241   2HG2  VAL  12          HG23      VAL  12  -5.101   0.446   7.343
  242   3HG2  VAL  12          HG22      VAL  12  -4.104   1.805   6.881
  243    H    GLU  13           HN       GLU  13  -0.660   1.710   7.392
  244    HA   GLU  13           HA       GLU  13  -1.736   4.240   7.550
  245   1HB   GLU  13           HB2      GLU  13   0.281   3.016   8.748
  246   2HB   GLU  13           HB1      GLU  13   1.250   3.644   7.435
  247   1HG   GLU  13           HG2      GLU  13   0.416   5.941   7.989
  248   2HG   GLU  13           HG1      GLU  13  -0.376   5.243   9.396
  249    H    ALA  14           HN       ALA  14   0.702   3.045   5.308
  250    HA   ALA  14           HA       ALA  14   0.799   5.393   3.781
  251   1HB   ALA  14           HB2      ALA  14   2.544   3.447   3.694
  252   2HB   ALA  14           HB1      ALA  14   1.337   2.422   2.955
  253   3HB   ALA  14           HB3      ALA  14   1.991   3.778   2.058
  254    H    LEU  15           HN       LEU  15  -1.014   2.504   3.174
  255    HA   LEU  15           HA       LEU  15  -2.435   3.342   0.892
  256   1HB   LEU  15           HB2      LEU  15  -3.588   1.874   3.339
  257   2HB   LEU  15           HB1      LEU  15  -4.288   1.849   1.761
  258    HG   LEU  15           HG       LEU  15  -1.559   0.713   2.560
  259   1HD1  LEU  15          HD12      LEU  15  -3.551  -0.604   3.324
  260   2HD1  LEU  15          HD11      LEU  15  -4.123  -0.686   1.696
  261   3HD1  LEU  15          HD13      LEU  15  -2.607  -1.419   2.116
  262   1HD2  LEU  15          HD21      LEU  15  -1.507   1.556   0.219
  263   2HD2  LEU  15          HD23      LEU  15  -1.425  -0.177   0.289
  264   3HD2  LEU  15          HD22      LEU  15  -2.901   0.576  -0.177
  265    OH   TYR  16           OH       TYR  16  -9.118   7.238   8.282
  266    H    TYR  16           HN       TYR  16  -3.371   3.896   4.240
  267    HA   TYR  16           HA       TYR  16  -5.552   5.604   4.016
  268   1HB   TYR  16           HB2      TYR  16  -3.966   4.740   6.111
  269   2HB   TYR  16           HB1      TYR  16  -3.483   6.421   6.059
  270    HD1  TYR  16           HD1      TYR  16  -5.747   7.986   5.407
  271    HD2  TYR  16           HD2      TYR  16  -5.662   4.386   7.680
  272    HE1  TYR  16           HE1      TYR  16  -7.852   8.618   6.501
  273    HE2  TYR  16           HE2      TYR  16  -7.785   5.051   8.769
  274    HH   TYR  16           HH       TYR  16  -8.845   7.605   9.136
  275    H    LEU  17           HN       LEU  17  -2.234   6.703   4.076
  276    HA   LEU  17           HA       LEU  17  -2.769   9.479   3.485
  277   1HB   LEU  17           HB2      LEU  17  -0.353   7.646   3.349
  278   2HB   LEU  17           HB1      LEU  17  -0.212   9.209   2.587
  279    HG   LEU  17           HG       LEU  17   0.707   9.183   4.914
  280   1HD1  LEU  17          HD12      LEU  17  -0.202  11.299   3.962
  281   2HD1  LEU  17          HD11      LEU  17  -1.789  10.916   4.598
  282   3HD1  LEU  17          HD13      LEU  17  -0.460  11.222   5.695
  283   1HD2  LEU  17          HD22      LEU  17  -2.188   8.715   5.742
  284   2HD2  LEU  17          HD21      LEU  17  -0.867   7.576   5.926
  285   3HD2  LEU  17          HD23      LEU  17  -0.856   9.067   6.826
  286    H    VAL  18           HN       VAL  18  -2.265   6.773   1.490
  287    HA   VAL  18           HA       VAL  18  -2.270   8.191  -1.102
  288    HB   VAL  18           HB       VAL  18  -2.209   5.294  -0.233
  289   1HG1  VAL  18          HG11      VAL  18  -2.098   6.390  -3.078
  290   2HG1  VAL  18          HG13      VAL  18  -1.675   4.742  -2.647
  291   3HG1  VAL  18          HG12      VAL  18  -3.302   5.330  -2.432
  292   1HG2  VAL  18          HG22      VAL  18  -0.130   7.128  -1.481
  293   2HG2  VAL  18          HG21      VAL  18  -0.163   6.585   0.184
  294   3HG2  VAL  18          HG23      VAL  18   0.127   5.429  -1.106
  295    H    CYS  19           HN       CYS  19  -4.444   5.645  -0.029
  296    HA   CYS  19           HA       CYS  19  -6.293   5.192  -1.672
  297   1HB   CYS  19           HB2      CYS  19  -7.022   6.396   1.022
  298   2HB   CYS  19           HB1      CYS  19  -7.963   5.184   0.158
  299    HG   CYS  19           HG1      CYS  19  -5.687   4.633   2.086
  300    H    GLY  20           HN       GLY  20  -6.184   7.081  -3.235
  301   1HA   GLY  20           HA2      GLY  20  -7.862   9.357  -3.083
  302   2HA   GLY  20           HA1      GLY  20  -7.702   8.421  -4.570
  303    H    GLU  21           HN       GLU  21  -8.728   6.170  -3.480
  304    HA   GLU  21           HA       GLU  21 -11.689   6.437  -3.685
  305   1HB   GLU  21           HB2      GLU  21  -9.868   4.116  -3.712
  306   2HB   GLU  21           HB1      GLU  21 -11.593   4.067  -4.028
  307   1HG   GLU  21           HG2      GLU  21  -9.528   5.567  -5.809
  308   2HG   GLU  21           HG1      GLU  21 -10.288   4.061  -6.262
  309    NH1  ARG  22           NH1      ARG  22 -12.348   6.180   4.793
  310    NH2  ARG  22           NH2      ARG  22 -11.087   6.889   6.420
  311    H    ARG  22           HN       ARG  22 -10.187   6.870  -1.226
  312    HA   ARG  22           HA       ARG  22  -9.963   5.012   0.641
  313   1HB   ARG  22           HB2      ARG  22  -9.532   7.416   0.877
  314   2HB   ARG  22           HB1      ARG  22 -11.214   7.812   0.641
  315   1HG   ARG  22           HG2      ARG  22 -10.275   8.085   3.007
  316   2HG   ARG  22           HG1      ARG  22 -11.757   7.184   2.880
  317   1HD   ARG  22           HD2      ARG  22 -10.154   5.064   2.697
  318   2HD   ARG  22           HD1      ARG  22  -8.853   6.156   2.993
  319    HE   ARG  22           HE       ARG  22  -9.609   5.281   5.300
  320   1HH1  ARG  22          HH12      ARG  22 -12.382   5.721   3.908
  321   2HH1  ARG  22          HH11      ARG  22 -13.174   6.521   5.214
  322   1HH2  ARG  22          HH22      ARG  22 -10.202   6.982   6.869
  323   2HH2  ARG  22          HH21      ARG  22 -11.878   7.279   6.866
  324    H    GLY  23           HN       GLY  23 -11.627   3.456  -0.157
  325   1HA   GLY  23           HA2      GLY  23 -13.655   2.970   2.027
  326   2HA   GLY  23           HA1      GLY  23 -13.920   2.499   0.353
  327    H    PHE  24           HN       PHE  24 -11.312   2.103   2.647
  328    HA   PHE  24           HA       PHE  24  -9.691   0.266   2.673
  329   1HB   PHE  24           HB2      PHE  24 -12.165  -0.211   4.296
  330   2HB   PHE  24           HB1      PHE  24 -10.759  -1.240   4.459
  331    HD1  PHE  24           HD1      PHE  24  -8.443  -0.095   4.943
  332    HD2  PHE  24           HD2      PHE  24 -12.173   1.900   5.334
  333    HE1  PHE  24           HE1      PHE  24  -7.391   1.608   6.331
  334    HE2  PHE  24           HE2      PHE  24 -11.119   3.623   6.737
  335    HZ   PHE  24           HZ       PHE  24  -8.703   3.473   7.235
  336    H    PHE  25           HN       PHE  25  -9.037  -0.898   1.063
  337    HA   PHE  25           HA       PHE  25 -10.569  -3.310   0.197
  338   1HB   PHE  25           HB2      PHE  25  -8.126  -2.164  -1.238
  339   2HB   PHE  25           HB1      PHE  25  -9.430  -3.116  -1.912
  340    HD1  PHE  25           HD1      PHE  25 -11.802  -1.490  -0.882
  341    HD2  PHE  25           HD2      PHE  25  -8.113  -0.308  -2.654
  342    HE1  PHE  25           HE1      PHE  25 -12.855   0.549  -1.725
  343    HE2  PHE  25           HE2      PHE  25  -9.171   1.736  -3.501
  344    HZ   PHE  25           HZ       PHE  25 -11.547   2.171  -3.040
  345    OH   TYR  26           OH       TYR  26  -1.299  -4.408   5.967
  346    H    TYR  26           HN       TYR  26  -7.454  -2.147   1.077
  347    HA   TYR  26           HA       TYR  26  -5.422  -3.626   1.183
  348   1HB   TYR  26           HB2      TYR  26  -5.922  -1.896   2.884
  349   2HB   TYR  26           HB1      TYR  26  -6.862  -3.056   3.796
  350    HD1  TYR  26           HD1      TYR  26  -3.490  -3.343   2.178
  351    HD2  TYR  26           HD2      TYR  26  -5.723  -3.473   5.786
  352    HE1  TYR  26           HE1      TYR  26  -1.453  -3.982   3.451
  353    HE2  TYR  26           HE2      TYR  26  -3.665  -4.106   7.019
  354    HH   TYR  26           HH       TYR  26  -1.116  -3.641   6.527
  355    H    THR  27           HN       THR  27  -6.590  -5.651   0.223
  356    HA   THR  27           HA       THR  27  -6.576  -7.874   2.254
  357    HB   THR  27           HB       THR  27  -8.742  -7.617   1.265
  358    HG1  THR  27           HG1      THR  27  -8.645  -9.675   1.371
  359   1HG2  THR  27          HG21      THR  27  -7.481  -8.289  -1.449
  360   2HG2  THR  27          HG23      THR  27  -9.182  -8.122  -1.072
  361   3HG2  THR  27          HG22      THR  27  -8.133  -6.725  -1.000
  362    HA   PRO  28           HA       PRO  28  -2.355  -9.030   0.534
  363   1HB   PRO  28           HB2      PRO  28  -3.739 -10.738   2.634
  364   2HB   PRO  28           HB1      PRO  28  -2.007 -10.660   2.290
  365   1HG   PRO  28           HG2      PRO  28  -2.939  -9.002   4.169
  366   2HG   PRO  28           HG1      PRO  28  -1.902  -8.280   2.942
  367   1HD   PRO  28           HD1      PRO  28  -4.879  -8.088   3.247
  368   2HD   PRO  28           HD2      PRO  28  -3.764  -6.902   2.543
  369    H    LYS  29           HN       LYS  29  -3.044  -9.299  -1.515
  370    HA   LYS  29           HA       LYS  29  -4.087 -12.046  -2.249
  371   1HB   LYS  29           HB2      LYS  29  -5.251  -9.521  -2.888
  372   2HB   LYS  29           HB1      LYS  29  -4.282  -9.858  -4.267
  373   1HG   LYS  29           HG2      LYS  29  -5.936 -11.092  -5.091
  374   2HG   LYS  29           HG1      LYS  29  -5.471 -12.345  -3.983
  375   1HD   LYS  29           HD2      LYS  29  -7.486 -10.127  -3.276
  376   2HD   LYS  29           HD1      LYS  29  -7.977 -11.635  -3.988
  377   1HE   LYS  29           HE2      LYS  29  -8.400 -11.716  -1.603
  378   2HE   LYS  29           HE1      LYS  29  -7.114 -12.855  -1.983
  379   1HZ   LYS  29           HZ1      LYS  29  -5.897 -10.368  -1.501
  380   2HZ   LYS  29           HZ3      LYS  29  -6.989 -10.513  -0.308
  381   3HZ   LYS  29           HZ2      LYS  29  -5.797 -11.699  -0.502
  382    H    THR  30           HN       THR  30  -1.724 -12.248  -1.791
  383    HA   THR  30           HA       THR  30  -0.087 -13.560  -3.302
  384    HB   THR  30           HB       THR  30   0.133 -10.780  -4.635
  385    HG1  THR  30           HG1      THR  30  -1.225 -12.018  -5.708
  386   1HG2  THR  30          HG21      THR  30   1.680 -13.368  -5.177
  387   2HG2  THR  30          HG23      THR  30   1.870 -11.831  -5.991
  388   3HG2  THR  30          HG22      THR  30   2.443 -12.013  -4.345
   
  Start of MODEL           8
 Raw file had  388 H/Q atoms
  Start of MODEL    8
    1    H    GLY   1           HN       GLY   1  -3.009  -5.352   4.135
    2   1HA   GLY   1           HA2      GLY   1  -4.331  -5.077   2.018
    3   2HA   GLY   1           HA1      GLY   1  -3.541  -3.565   2.421
    4    H    ILE   2           HN       ILE   2  -1.101  -4.033   1.790
    5    HA   ILE   2           HA       ILE   2  -0.923  -4.602  -1.197
    6    HB   ILE   2           HB       ILE   2   0.852  -2.436  -0.124
    7   1HG1  ILE   2          HG12      ILE   2  -1.280  -0.858  -0.563
    8   2HG1  ILE   2          HG11      ILE   2  -2.134  -2.315  -0.143
    9   1HG2  ILE   2          HG21      ILE   2  -1.133  -2.651  -2.456
   10   2HG2  ILE   2          HG23      ILE   2   0.097  -1.422  -2.282
   11   3HG2  ILE   2          HG22      ILE   2   0.563  -3.075  -2.555
   12   1HD1  ILE   2           HD2      ILE   2  -0.918  -2.358   2.106
   13   2HD1  ILE   2           HD1      ILE   2  -0.162  -0.853   1.646
   14   3HD1  ILE   2           HD3      ILE   2  -1.901  -0.968   1.820
   15    H    VAL   3           HN       VAL   3  -0.067  -5.596   1.632
   16    HA   VAL   3           HA       VAL   3   2.270  -6.177   2.363
   17    HB   VAL   3           HB       VAL   3   1.766  -8.768   2.233
   18   1HG1  VAL   3          HG12      VAL   3   0.472  -7.369   3.894
   19   2HG1  VAL   3          HG11      VAL   3  -0.755  -7.070   2.679
   20   3HG1  VAL   3          HG13      VAL   3  -0.479  -8.692   3.254
   21   1HG2  VAL   3          HG21      VAL   3   0.781  -8.706  -0.206
   22   2HG2  VAL   3          HG23      VAL   3  -0.259  -9.463   0.973
   23   3HG2  VAL   3          HG22      VAL   3  -0.545  -7.812   0.472
   24    H    GLU   4           HN       GLU   4   2.445  -8.758   0.257
   25    HA   GLU   4           HA       GLU   4   5.066  -8.663  -0.438
   26   1HB   GLU   4           HB2      GLU   4   3.234 -10.350  -1.086
   27   2HB   GLU   4           HB1      GLU   4   2.781  -9.280  -2.399
   28   1HG   GLU   4           HG2      GLU   4   5.502 -10.643  -2.084
   29   2HG   GLU   4           HG1      GLU   4   4.276 -11.029  -3.269
   30    H    GLN   5           HN       GLN   5   2.733  -7.288  -2.656
   31    HA   GLN   5           HA       GLN   5   4.359  -5.718  -4.279
   32   1HB   GLN   5           HB2      GLN   5   1.877  -4.248  -3.273
   33   2HB   GLN   5           HB1      GLN   5   2.230  -4.624  -4.941
   34   1HG   GLN   5           HG2      GLN   5   1.325  -6.985  -4.526
   35   2HG   GLN   5           HG1      GLN   5   1.004  -6.531  -2.863
   36   1HE2  GLN   5          HE21      GLN   5  -1.443  -4.198  -4.842
   37   2HE2  GLN   5          HE22      GLN   5   0.210  -3.817  -4.674
   38    H    CYS   6           HN       CYS   6   3.199  -4.343  -1.185
   39    HA   CYS   6           HA       CYS   6   5.177  -2.121  -1.868
   40   1HB   CYS   6           HB2      CYS   6   2.871  -2.306  -0.047
   41   2HB   CYS   6           HB1      CYS   6   3.930  -0.901  -0.117
   42    HG   CYS   6           HG1      CYS   6   3.033  -0.277  -2.344
   43    H    CYS   7           HN       CYS   7   5.194  -4.768   0.074
   44    HA   CYS   7           HA       CYS   7   7.194  -3.592   1.975
   45   1HB   CYS   7           HB2      CYS   7   5.116  -4.552   2.831
   46   2HB   CYS   7           HB1      CYS   7   5.378  -6.035   1.973
   47    HG   CYS   7           HG1      CYS   7   7.011  -6.813   3.747
   48    H    THR   8           HN       THR   8   6.473  -6.055  -0.281
   49    HA   THR   8           HA       THR   8   9.317  -6.939  -0.597
   50    HB   THR   8           HB       THR   8   6.791  -8.438  -1.425
   51    HG1  THR   8           HG1      THR   8   8.095  -9.546   0.514
   52   1HG2  THR   8          HG21      THR   8   9.667  -9.305  -0.879
   53   2HG2  THR   8          HG23      THR   8   8.322 -10.321  -1.434
   54   3HG2  THR   8          HG22      THR   8   8.989  -9.104  -2.499
   55    H    SER   9           HN       SER   9   6.665  -7.122  -3.096
   56    HA   SER   9           HA       SER   9   8.683  -6.283  -5.128
   57   1HB   SER   9           HB2      SER   9   7.159  -8.171  -5.637
   58   2HB   SER   9           HB1      SER   9   5.791  -7.047  -5.586
   59    HG   SER   9           HG1      SER   9   6.700  -5.853  -7.200
   60    H    ILE  10           HN       ILE  10   8.303  -4.516  -3.633
   61    HA   ILE  10           HA       ILE  10   7.204  -2.307  -3.112
   62    HB   ILE  10           HB       ILE  10   9.589  -2.205  -5.025
   63   1HG1  ILE  10          HG12      ILE  10   9.334  -2.257  -1.948
   64   2HG1  ILE  10          HG11      ILE  10   9.907  -3.570  -2.928
   65   1HG2  ILE  10          HG22      ILE  10   8.451   0.068  -4.742
   66   2HG2  ILE  10          HG21      ILE  10   8.588  -0.107  -3.003
   67   3HG2  ILE  10          HG23      ILE  10  10.020   0.051  -4.006
   68   1HD1  ILE  10           HD1      ILE  10  11.355  -0.899  -2.815
   69   2HD1  ILE  10           HD3      ILE  10  11.774  -2.299  -1.901
   70   3HD1  ILE  10           HD2      ILE  10  11.874  -2.329  -3.654
   71    H    CYS  11           HN       CYS  11   5.462  -1.672  -3.640
   72    HA   CYS  11           HA       CYS  11   4.694  -0.738  -6.299
   73   1HB   CYS  11           HB2      CYS  11   2.836  -1.958  -5.868
   74   2HB   CYS  11           HB1      CYS  11   3.527  -2.394  -4.343
   75    HG   CYS  11           HG1      CYS  11   1.363  -0.234  -4.619
   76    H    SER  12           HN       SER  12   4.778   1.137  -6.594
   77    HA   SER  12           HA       SER  12   5.264   3.490  -5.107
   78   1HB   SER  12           HB2      SER  12   5.406   3.722  -7.501
   79   2HB   SER  12           HB1      SER  12   3.747   3.171  -7.712
   80    HG   SER  12           HG1      SER  12   4.678   5.693  -6.955
   81    H    LEU  13           HN       LEU  13   4.085   5.385  -4.506
   82    HA   LEU  13           HA       LEU  13   1.922   4.795  -2.706
   83   1HB   LEU  13           HB2      LEU  13   1.696   7.124  -2.351
   84   2HB   LEU  13           HB1      LEU  13   3.339   7.028  -2.911
   85    HG   LEU  13           HG       LEU  13   2.272   8.952  -3.856
   86   1HD1  LEU  13          HD12      LEU  13   3.865   7.887  -5.355
   87   2HD1  LEU  13          HD11      LEU  13   2.617   6.903  -6.063
   88   3HD1  LEU  13          HD13      LEU  13   2.569   8.626  -6.274
   89   1HD2  LEU  13          HD21      LEU  13  -0.047   8.444  -3.718
   90   2HD2  LEU  13          HD23      LEU  13   0.369   9.001  -5.322
   91   3HD2  LEU  13          HD22      LEU  13   0.024   7.335  -5.048
   92    OH   TYR  14           OH       TYR  14   1.388   1.834 -11.733
   93    H    TYR  14           HN       TYR  14   1.857   5.423  -6.069
   94    HA   TYR  14           HA       TYR  14  -1.061   5.731  -6.002
   95   1HB   TYR  14           HB2      TYR  14  -0.911   6.260  -8.266
   96   2HB   TYR  14           HB1      TYR  14   0.774   6.528  -7.866
   97    HD1  TYR  14           HD1      TYR  14  -1.594   3.937  -9.068
   98    HD2  TYR  14           HD2      TYR  14   2.416   5.318  -9.013
   99    HE1  TYR  14           HE1      TYR  14  -0.978   2.220 -10.730
  100    HE2  TYR  14           HE2      TYR  14   3.027   3.591 -10.695
  101    HH   TYR  14           HH       TYR  14   0.760   1.936 -12.453
  102    H    GLN  15           HN       GLN  15   1.351   3.189  -6.426
  103    HA   GLN  15           HA       GLN  15  -0.631   1.205  -7.247
  104   1HB   GLN  15           HB2      GLN  15   2.209   0.977  -6.080
  105   2HB   GLN  15           HB1      GLN  15   1.370  -0.397  -6.793
  106   1HG   GLN  15           HG2      GLN  15   1.089   0.888  -8.956
  107   2HG   GLN  15           HG1      GLN  15   1.925   2.254  -8.269
  108   1HE2  GLN  15          HE21      GLN  15   4.142   0.128 -10.408
  109   2HE2  GLN  15          HE22      GLN  15   2.584   0.777 -10.696
  110    H    LEU  16           HN       LEU  16   0.658   2.265  -4.355
  111    HA   LEU  16           HA       LEU  16  -0.485   0.533  -2.481
  112   1HB   LEU  16           HB2      LEU  16   0.121   3.556  -2.349
  113   2HB   LEU  16           HB1      LEU  16  -0.983   3.012  -1.162
  114    HG   LEU  16           HG       LEU  16   1.249   3.132  -0.261
  115   1HD1  LEU  16          HD12      LEU  16  -0.198   1.254   0.551
  116   2HD1  LEU  16          HD11      LEU  16   0.489   0.211  -0.684
  117   3HD1  LEU  16          HD13      LEU  16   1.502   0.837   0.585
  118   1HD2  LEU  16          HD22      LEU  16   1.942   1.200  -2.459
  119   2HD2  LEU  16          HD21      LEU  16   2.519   2.826  -2.313
  120   3HD2  LEU  16          HD23      LEU  16   3.027   1.624  -1.150
  121    H    GLU  17           HN       GLU  17  -1.643   3.383  -3.994
  122    HA   GLU  17           HA       GLU  17  -4.295   3.115  -3.021
  123   1HB   GLU  17           HB2      GLU  17  -3.188   5.084  -4.433
  124   2HB   GLU  17           HB1      GLU  17  -3.954   4.262  -5.785
  125   1HG   GLU  17           HG2      GLU  17  -5.975   3.888  -4.103
  126   2HG   GLU  17           HG1      GLU  17  -5.196   5.138  -3.182
  127    H    ASN  18           HN       ASN  18  -3.060   2.014  -6.116
  128    HA   ASN  18           HA       ASN  18  -5.292   0.955  -7.356
  129   1HB   ASN  18           HB2      ASN  18  -2.800   0.804  -8.112
  130   2HB   ASN  18           HB1      ASN  18  -2.568  -0.510  -6.985
  131   1HD2  ASN  18          HD21      ASN  18  -5.073  -2.061  -9.540
  132   2HD2  ASN  18          HD22      ASN  18  -5.625  -1.135  -8.221
  133    OH   TYR  19           OH       TYR  19  -5.608  -2.175   2.422
  134    H    TYR  19           HN       TYR  19  -3.974  -0.180  -4.434
  135    HA   TYR  19           HA       TYR  19  -6.052  -2.343  -4.285
  136   1HB   TYR  19           HB2      TYR  19  -4.171  -3.535  -3.357
  137   2HB   TYR  19           HB1      TYR  19  -3.237  -2.054  -3.180
  138    HD1  TYR  19           HD1      TYR  19  -3.477  -0.675  -1.242
  139    HD2  TYR  19           HD2      TYR  19  -5.703  -4.240  -1.592
  140    HE1  TYR  19           HE1      TYR  19  -4.080  -0.478   1.062
  141    HE2  TYR  19           HE2      TYR  19  -6.322  -4.055   0.761
  142    HH   TYR  19           HH       TYR  19  -6.024  -1.316   2.556
  143    H    CYS  20           HN       CYS  20  -4.762   0.416  -2.470
  144    HA   CYS  20           HA       CYS  20  -6.562   0.661  -0.266
  145   1HB   CYS  20           HB2      CYS  20  -4.324   1.680  -0.712
  146   2HB   CYS  20           HB1      CYS  20  -5.251   3.006  -1.368
  147    HG   CYS  20           HG1      CYS  20  -5.264   2.074   1.518
  148    H    ASN  21           HN       ASN  21  -6.626   2.305  -3.094
  149    HA   ASN  21           HA       ASN  21  -8.295   4.237  -3.543
  150   1HB   ASN  21           HB2      ASN  21  -8.933   3.379  -5.752
  151   2HB   ASN  21           HB1      ASN  21  -7.286   2.994  -5.392
  152   1HD2  ASN  21          HD21      ASN  21  -9.056  -0.419  -4.787
  153   2HD2  ASN  21          HD22      ASN  21  -9.087   0.799  -3.587
  154    H    PHE   1           HN       PHE   1   8.283  11.532   0.697
  155    HA   PHE   1           HA       PHE   1   6.830   9.348   0.411
  156   1HB   PHE   1           HB2      PHE   1   8.315  10.610  -1.948
  157   2HB   PHE   1           HB1      PHE   1   6.824   9.703  -2.094
  158    HD1  PHE   1           HD1      PHE   1   4.862  10.574  -0.464
  159    HD2  PHE   1           HD2      PHE   1   8.154  12.919  -1.776
  160    HE1  PHE   1           HE1      PHE   1   3.588  12.624   0.006
  161    HE2  PHE   1           HE2      PHE   1   6.883  14.968  -1.309
  162    HZ   PHE   1           HZ       PHE   1   4.600  14.822  -0.418
  163    H    VAL   2           HN       VAL   2   9.010   8.185   1.512
  164    HA   VAL   2           HA       VAL   2  10.754   6.669   0.021
  165    HB   VAL   2           HB       VAL   2  10.768   5.093   1.892
  166   1HG1  VAL   2          HG12      VAL   2  12.147   7.178   1.957
  167   2HG1  VAL   2          HG11      VAL   2  10.798   8.083   2.615
  168   3HG1  VAL   2          HG13      VAL   2  11.560   6.827   3.568
  169   1HG2  VAL   2          HG21      VAL   2   8.375   5.224   2.630
  170   2HG2  VAL   2          HG23      VAL   2   9.418   5.687   3.948
  171   3HG2  VAL   2          HG22      VAL   2   8.566   6.916   3.044
  172    H    ASN   3           HN       ASN   3   9.374   6.082  -1.818
  173    HA   ASN   3           HA       ASN   3   7.588   3.737  -1.659
  174   1HB   ASN   3           HB2      ASN   3   8.800   5.247  -4.040
  175   2HB   ASN   3           HB1      ASN   3   7.751   3.867  -4.254
  176   1HD2  ASN   3          HD21      ASN   3   5.799   6.879  -2.458
  177   2HD2  ASN   3          HD22      ASN   3   7.249   6.337  -1.738
  178    H    GLN   4           HN       GLN   4   9.321   2.627  -0.439
  179    HA   GLN   4           HA       GLN   4  10.803   0.769  -2.221
  180   1HB   GLN   4           HB2      GLN   4  12.671   0.808  -0.417
  181   2HB   GLN   4           HB1      GLN   4  12.459   2.274  -1.340
  182   1HG   GLN   4           HG2      GLN   4  12.703   2.755   1.154
  183   2HG   GLN   4           HG1      GLN   4  11.151   3.320   0.562
  184   1HE2  GLN   4          HE21      GLN   4   9.398   1.017   2.499
  185   2HE2  GLN   4          HE22      GLN   4   9.300   2.302   1.376
  186    H    HIS   5           HN       HIS   5  11.597  -0.456   0.678
  187    HA   HIS   5           HA       HIS   5   9.453  -2.481   0.673
  188   1HB   HIS   5           HB2      HIS   5  12.135  -2.272   2.136
  189   2HB   HIS   5           HB1      HIS   5  11.043  -3.632   2.317
  190    HD1  HIS   5           HD1      HIS   5  10.378  -4.620  -0.082
  191    HD2  HIS   5           HD2      HIS   5  13.980  -2.773   0.125
  192    HE1  HIS   5           HE1      HIS   5  11.693  -5.426  -2.071
  193    H    LEU   6           HN       LEU   6   7.732  -1.125   1.580
  194    HA   LEU   6           HA       LEU   6   8.048  -0.567   4.521
  195   1HB   LEU   6           HB2      LEU   6   6.029   0.932   4.241
  196   2HB   LEU   6           HB1      LEU   6   7.412   1.464   3.339
  197    HG   LEU   6           HG       LEU   6   5.294  -0.226   1.940
  198   1HD1  LEU   6          HD12      LEU   6   4.200   1.752   3.158
  199   2HD1  LEU   6          HD11      LEU   6   5.336   2.818   2.384
  200   3HD1  LEU   6          HD13      LEU   6   4.160   1.942   1.414
  201   1HD2  LEU   6          HD21      LEU   6   7.473   0.448   0.801
  202   2HD2  LEU   6          HD23      LEU   6   6.077   1.150   0.032
  203   3HD2  LEU   6          HD22      LEU   6   7.081   2.126   1.094
  204    H    CYS   7           HN       CYS   7   7.026  -1.734   5.949
  205    HA   CYS   7           HA       CYS   7   4.847  -3.602   5.064
  206   1HB   CYS   7           HB2      CYS   7   7.327  -4.179   6.089
  207   2HB   CYS   7           HB1      CYS   7   6.358  -4.268   7.532
  208    HG   CYS   7           HG1      CYS   7   5.291  -6.376   6.680
  209    H    GLY   8           HN       GLY   8   3.768  -4.544   7.159
  210   1HA   GLY   8           HA2      GLY   8   1.649  -3.991   8.222
  211   2HA   GLY   8           HA1      GLY   8   2.885  -3.702   9.433
  212    H    ASP   9           HN       ASP   9   3.057  -1.971  10.266
  213    HA   ASP   9           HA       ASP   9   0.987  -0.004  10.259
  214   1HB   ASP   9           HB2      ASP   9   2.814   1.139  11.847
  215   2HB   ASP   9           HB1      ASP   9   2.348  -0.493  12.299
  216    H    HIS  10           HN       HIS  10   4.292   0.397   9.301
  217    HA   HIS  10           HA       HIS  10   4.098   2.996   8.087
  218   1HB   HIS  10           HB2      HIS  10   6.137   1.807   8.741
  219   2HB   HIS  10           HB1      HIS  10   5.886   0.626   7.458
  220    HD1  HIS  10           HD1      HIS  10   5.576   4.346   7.014
  221    HD2  HIS  10           HD2      HIS  10   8.061   1.313   5.861
  222    HE1  HIS  10           HE1      HIS  10   7.137   5.300   5.357
  223    H    LEU  11           HN       LEU  11   3.232  -0.078   6.923
  224    HA   LEU  11           HA       LEU  11   2.798   0.720   4.139
  225   1HB   LEU  11           HB2      LEU  11   3.408  -1.605   4.767
  226   2HB   LEU  11           HB1      LEU  11   1.933  -1.779   5.704
  227    HG   LEU  11           HG       LEU  11   0.594  -1.505   3.625
  228   1HD1  LEU  11          HD11      LEU  11   3.365  -1.406   2.302
  229   2HD1  LEU  11          HD13      LEU  11   1.837  -1.437   1.447
  230   3HD1  LEU  11          HD12      LEU  11   2.272  -0.044   2.387
  231   1HD2  LEU  11          HD21      LEU  11   1.438  -3.778   4.271
  232   2HD2  LEU  11          HD23      LEU  11   1.346  -3.605   2.522
  233   3HD2  LEU  11          HD22      LEU  11   2.897  -3.482   3.331
  234    H    VAL  12           HN       VAL  12   0.591  -0.017   6.883
  235    HA   VAL  12           HA       VAL  12  -1.757   0.761   5.455
  236    HB   VAL  12           HB       VAL  12  -2.150  -0.255   7.652
  237   1HG1  VAL  12          HG11      VAL  12  -0.747   2.191   8.833
  238   2HG1  VAL  12          HG13      VAL  12  -1.530   0.917   9.739
  239   3HG1  VAL  12          HG12      VAL  12  -0.152   0.544   8.734
  240   1HG2  VAL  12          HG21      VAL  12  -3.785   1.488   6.834
  241   2HG2  VAL  12          HG23      VAL  12  -3.709   1.474   8.596
  242   3HG2  VAL  12          HG22      VAL  12  -2.896   2.729   7.691
  243    H    GLU  13           HN       GLU  13   0.455   2.670   7.457
  244    HA   GLU  13           HA       GLU  13  -0.560   5.197   7.449
  245   1HB   GLU  13           HB2      GLU  13   1.498   4.326   8.552
  246   2HB   GLU  13           HB1      GLU  13   2.252   4.100   6.995
  247   1HG   GLU  13           HG2      GLU  13   2.164   6.495   6.558
  248   2HG   GLU  13           HG1      GLU  13   1.385   6.748   8.127
  249    H    ALA  14           HN       ALA  14   1.278   3.640   4.939
  250    HA   ALA  14           HA       ALA  14   0.944   5.790   3.093
  251   1HB   ALA  14           HB2      ALA  14   2.982   4.253   3.176
  252   2HB   ALA  14           HB1      ALA  14   1.964   2.881   2.809
  253   3HB   ALA  14           HB3      ALA  14   2.265   4.093   1.574
  254    H    LEU  15           HN       LEU  15  -0.522   2.609   3.109
  255    HA   LEU  15           HA       LEU  15  -2.009   3.049   0.687
  256   1HB   LEU  15           HB2      LEU  15  -3.306   1.200   1.301
  257   2HB   LEU  15           HB1      LEU  15  -1.736   0.920   2.028
  258    HG   LEU  15           HG       LEU  15  -2.772   1.881   4.182
  259   1HD1  LEU  15          HD12      LEU  15  -4.957   2.608   3.315
  260   2HD1  LEU  15          HD11      LEU  15  -5.320   0.942   2.895
  261   3HD1  LEU  15          HD13      LEU  15  -5.061   1.404   4.557
  262   1HD2  LEU  15          HD21      LEU  15  -2.137  -0.546   3.872
  263   2HD2  LEU  15          HD23      LEU  15  -3.602  -0.408   4.816
  264   3HD2  LEU  15          HD22      LEU  15  -3.695  -0.855   3.134
  265    OH   TYR  16           OH       TYR  16  -9.597   6.911   6.957
  266    H    TYR  16           HN       TYR  16  -2.780   3.907   4.039
  267    HA   TYR  16           HA       TYR  16  -5.336   5.091   3.420
  268   1HB   TYR  16           HB2      TYR  16  -4.074   4.526   5.786
  269   2HB   TYR  16           HB1      TYR  16  -3.628   6.221   5.677
  270    HD1  TYR  16           HD1      TYR  16  -5.819   7.666   4.612
  271    HD2  TYR  16           HD2      TYR  16  -5.981   4.195   7.061
  272    HE1  TYR  16           HE1      TYR  16  -8.098   8.265   5.315
  273    HE2  TYR  16           HE2      TYR  16  -8.273   4.817   7.760
  274    HH   TYR  16           HH       TYR  16  -9.487   7.724   7.471
  275    H    LEU  17           HN       LEU  17  -2.109   6.544   3.834
  276    HA   LEU  17           HA       LEU  17  -2.530   9.194   3.254
  277   1HB   LEU  17           HB2      LEU  17  -0.302   8.146   3.708
  278   2HB   LEU  17           HB1      LEU  17  -0.338   7.366   2.146
  279    HG   LEU  17           HG       LEU  17  -0.284   9.586   1.006
  280   1HD1  LEU  17          HD11      LEU  17   0.049  10.639   3.856
  281   2HD1  LEU  17          HD13      LEU  17   0.202  11.591   2.390
  282   3HD1  LEU  17          HD12      LEU  17  -1.350  10.923   2.833
  283   1HD2  LEU  17          HD22      LEU  17   1.864   9.160   3.142
  284   2HD2  LEU  17          HD21      LEU  17   1.825   8.363   1.577
  285   3HD2  LEU  17          HD23      LEU  17   2.065  10.102   1.672
  286    H    VAL  18           HN       VAL  18  -2.293   6.684   0.813
  287    HA   VAL  18           HA       VAL  18  -3.153   8.599  -1.301
  288    HB   VAL  18           HB       VAL  18  -1.289   7.023  -1.632
  289   1HG1  VAL  18          HG12      VAL  18  -2.402   4.991  -0.648
  290   2HG1  VAL  18          HG11      VAL  18  -3.566   5.023  -1.964
  291   3HG1  VAL  18          HG13      VAL  18  -1.891   4.733  -2.315
  292   1HG2  VAL  18          HG21      VAL  18  -2.543   8.256  -3.450
  293   2HG2  VAL  18          HG23      VAL  18  -2.033   6.685  -4.025
  294   3HG2  VAL  18          HG22      VAL  18  -3.688   6.960  -3.538
  295    H    CYS  19           HN       CYS  19  -4.644   5.494  -0.048
  296    HA   CYS  19           HA       CYS  19  -6.428   4.649  -1.414
  297   1HB   CYS  19           HB2      CYS  19  -6.054   5.310   1.330
  298   2HB   CYS  19           HB1      CYS  19  -7.645   5.869   1.070
  299    HG   CYS  19           HG1      CYS  19  -8.394   3.378   0.697
  300    H    GLY  20           HN       GLY  20  -6.658   6.495  -3.094
  301   1HA   GLY  20           HA2      GLY  20  -8.748   8.254  -3.306
  302   2HA   GLY  20           HA1      GLY  20  -8.333   7.158  -4.617
  303    H    GLU  21           HN       GLU  21 -10.334   7.732  -1.980
  304    HA   GLU  21           HA       GLU  21 -12.449   7.011  -1.282
  305   1HB   GLU  21           HB2      GLU  21 -12.767   6.073  -4.099
  306   2HB   GLU  21           HB1      GLU  21 -13.957   6.773  -2.978
  307   1HG   GLU  21           HG2      GLU  21 -11.524   8.354  -4.120
  308   2HG   GLU  21           HG1      GLU  21 -13.178   8.690  -4.522
  309    NH1  ARG  22           NH1      ARG  22 -11.646   3.406   4.366
  310    NH2  ARG  22           NH2      ARG  22 -11.080   4.764   6.007
  311    H    ARG  22           HN       ARG  22 -10.825   5.725  -0.566
  312    HA   ARG  22           HA       ARG  22  -9.901   3.388  -0.507
  313   1HB   ARG  22           HB2      ARG  22  -9.747   3.935   2.010
  314   2HB   ARG  22           HB1      ARG  22  -9.494   5.322   0.965
  315   1HG   ARG  22           HG2      ARG  22 -11.910   5.968   1.090
  316   2HG   ARG  22           HG1      ARG  22 -12.285   4.586   2.068
  317   1HD   ARG  22           HD2      ARG  22 -10.578   6.947   2.672
  318   2HD   ARG  22           HD1      ARG  22 -12.136   6.523   3.407
  319    HE   ARG  22           HE       ARG  22  -9.499   5.147   3.995
  320   1HH1  ARG  22          HH12      ARG  22 -11.608   3.208   3.384
  321   2HH1  ARG  22          HH11      ARG  22 -12.123   2.780   4.963
  322   1HH2  ARG  22          HH22      ARG  22 -10.593   5.598   6.262
  323   2HH2  ARG  22          HH21      ARG  22 -11.542   4.219   6.688
  324    H    GLY  23           HN       GLY  23 -11.077   1.714  -1.183
  325   1HA   GLY  23           HA2      GLY  23 -12.836   0.298   0.793
  326   2HA   GLY  23           HA1      GLY  23 -12.547  -0.229  -0.856
  327    H    PHE  24           HN       PHE  24  -9.592   0.309   0.006
  328    HA   PHE  24           HA       PHE  24  -7.754  -1.082   0.497
  329   1HB   PHE  24           HB2      PHE  24  -9.684  -1.829   2.778
  330   2HB   PHE  24           HB1      PHE  24  -8.047  -2.390   2.761
  331    HD1  PHE  24           HD1      PHE  24  -9.008   1.138   1.953
  332    HD2  PHE  24           HD2      PHE  24  -7.383  -1.527   4.848
  333    HE1  PHE  24           HE1      PHE  24  -8.354   3.042   3.357
  334    HE2  PHE  24           HE2      PHE  24  -6.745   0.370   6.236
  335    HZ   PHE  24           HZ       PHE  24  -7.226   2.667   5.497
  336    H    PHE  25           HN       PHE  25  -8.505  -2.314  -1.505
  337    HA   PHE  25           HA       PHE  25  -9.840  -4.768  -1.567
  338   1HB   PHE  25           HB2      PHE  25  -7.670  -3.510  -3.249
  339   2HB   PHE  25           HB1      PHE  25  -8.275  -5.095  -3.683
  340    HD1  PHE  25           HD1      PHE  25  -9.564  -1.644  -2.793
  341    HD2  PHE  25           HD2      PHE  25 -10.171  -5.223  -5.013
  342    HE1  PHE  25           HE1      PHE  25 -11.492  -0.631  -3.876
  343    HE2  PHE  25           HE2      PHE  25 -12.117  -4.202  -6.103
  344    HZ   PHE  25           HZ       PHE  25 -12.781  -1.902  -5.534
  345    OH   TYR  26           OH       TYR  26  -4.050  -5.423   5.720
  346    H    TYR  26           HN       TYR  26  -9.071  -5.696   0.497
  347    HA   TYR  26           HA       TYR  26  -6.552  -7.092   0.742
  348   1HB   TYR  26           HB2      TYR  26  -8.989  -6.592   2.309
  349   2HB   TYR  26           HB1      TYR  26  -8.440  -8.229   2.551
  350    HD1  TYR  26           HD1      TYR  26  -6.184  -8.670   3.430
  351    HD2  TYR  26           HD2      TYR  26  -7.661  -4.700   3.087
  352    HE1  TYR  26           HE1      TYR  26  -4.409  -7.873   4.940
  353    HE2  TYR  26           HE2      TYR  26  -5.868  -3.922   4.611
  354    HH   TYR  26           HH       TYR  26  -4.236  -5.854   6.561
  355    H    THR  27           HN       THR  27  -7.016  -7.978  -1.561
  356    HA   THR  27           HA       THR  27  -7.836 -10.884  -1.376
  357    HB   THR  27           HB       THR  27  -9.467  -9.518  -2.740
  358    HG1  THR  27           HG1      THR  27  -9.458 -11.221  -4.008
  359   1HG2  THR  27          HG22      THR  27  -7.727  -7.872  -3.714
  360   2HG2  THR  27          HG21      THR  27  -7.081  -9.225  -4.635
  361   3HG2  THR  27          HG23      THR  27  -8.719  -8.682  -4.922
  362    HA   PRO  28           HA       PRO  28  -4.334 -13.041  -1.772
  363   1HB   PRO  28           HB2      PRO  28  -3.521 -11.515  -4.290
  364   2HB   PRO  28           HB1      PRO  28  -2.908 -13.077  -3.731
  365   1HG   PRO  28           HG2      PRO  28  -4.889 -13.161  -5.483
  366   2HG   PRO  28           HG1      PRO  28  -5.108 -14.135  -4.030
  367   1HD   PRO  28           HD1      PRO  28  -6.328 -11.440  -4.706
  368   2HD   PRO  28           HD2      PRO  28  -7.075 -12.816  -3.882
  369    H    LYS  29           HN       LYS  29  -4.686 -11.587  -0.039
  370    HA   LYS  29           HA       LYS  29  -2.291  -9.857   0.319
  371   1HB   LYS  29           HB2      LYS  29  -4.966  -8.986   0.004
  372   2HB   LYS  29           HB1      LYS  29  -4.727  -8.933   1.732
  373   1HG   LYS  29           HG2      LYS  29  -4.096  -6.812   0.741
  374   2HG   LYS  29           HG1      LYS  29  -2.698  -7.556   1.468
  375   1HD   LYS  29           HD2      LYS  29  -1.937  -6.778  -0.705
  376   2HD   LYS  29           HD1      LYS  29  -2.112  -8.470  -0.959
  377   1HE   LYS  29           HE2      LYS  29  -4.620  -7.474  -1.658
  378   2HE   LYS  29           HE1      LYS  29  -3.532  -6.183  -2.148
  379   1HZ   LYS  29           HZ1      LYS  29  -2.431  -8.786  -2.727
  380   2HZ   LYS  29           HZ3      LYS  29  -3.919  -8.615  -3.418
  381   3HZ   LYS  29           HZ2      LYS  29  -2.660  -7.481  -3.781
  382    H    THR  30           HN       THR  30  -1.504 -11.811   1.205
  383    HA   THR  30           HA       THR  30  -1.968 -11.964   4.180
  384    HB   THR  30           HB       THR  30  -2.794 -14.083   3.198
  385    HG1  THR  30           HG1      THR  30  -0.653 -15.226   4.079
  386   1HG2  THR  30          HG21      THR  30   0.112 -14.419   2.217
  387   2HG2  THR  30          HG23      THR  30  -1.196 -15.579   2.034
  388   3HG2  THR  30          HG22      THR  30  -1.213 -14.085   1.118
   
  Start of MODEL           9
 Raw file had  388 H/Q atoms
  Start of MODEL    9
    1    H    GLY   1           HN       GLY   1  -3.291  -8.021  -0.335
    2   1HA   GLY   1           HA2      GLY   1  -3.511  -6.812  -2.417
    3   2HA   GLY   1           HA1      GLY   1  -3.959  -5.369  -1.519
    4    H    ILE   2           HN       ILE   2  -2.191  -4.649  -0.064
    5    HA   ILE   2           HA       ILE   2   0.265  -4.180  -1.691
    6    HB   ILE   2           HB       ILE   2   0.702  -2.464   0.278
    7   1HG1  ILE   2          HG12      ILE   2  -2.311  -2.616   0.506
    8   2HG1  ILE   2          HG11      ILE   2  -1.301  -3.497   1.631
    9   1HG2  ILE   2          HG21      ILE   2  -1.468  -2.086  -1.768
   10   2HG2  ILE   2          HG23      ILE   2  -0.640  -0.800  -0.901
   11   3HG2  ILE   2          HG22      ILE   2   0.240  -1.815  -2.022
   12   1HD1  ILE   2           HD1      ILE   2  -1.101  -0.494   1.207
   13   2HD1  ILE   2           HD3      ILE   2  -1.887  -1.289   2.551
   14   3HD1  ILE   2           HD2      ILE   2  -0.184  -1.480   2.318
   15    H    VAL   3           HN       VAL   3  -0.610  -5.236   1.487
   16    HA   VAL   3           HA       VAL   3   1.567  -5.368   2.960
   17    HB   VAL   3           HB       VAL   3   0.774  -7.850   3.591
   18   1HG1  VAL   3          HG12      VAL   3  -0.145  -5.743   4.653
   19   2HG1  VAL   3          HG11      VAL   3  -1.291  -5.605   3.334
   20   3HG1  VAL   3          HG13      VAL   3  -1.394  -6.957   4.445
   21   1HG2  VAL   3          HG22      VAL   3  -1.362  -7.132   1.478
   22   2HG2  VAL   3          HG21      VAL   3  -0.210  -8.426   1.295
   23   3HG2  VAL   3          HG23      VAL   3  -1.407  -8.507   2.551
   24    H    GLU   4           HN       GLU   4   1.506  -8.392   1.027
   25    HA   GLU   4           HA       GLU   4   4.344  -8.623   1.524
   26   1HB   GLU   4           HB2      GLU   4   4.108 -10.761   0.435
   27   2HB   GLU   4           HB1      GLU   4   2.609 -10.507   1.290
   28   1HG   GLU   4           HG2      GLU   4   2.920  -9.937  -1.715
   29   2HG   GLU   4           HG1      GLU   4   2.322 -11.428  -1.065
   30    H    GLN   5           HN       GLN   5   3.316  -6.381  -0.113
   31    HA   GLN   5           HA       GLN   5   5.233  -6.485  -2.440
   32   1HB   GLN   5           HB2      GLN   5   2.732  -4.649  -2.276
   33   2HB   GLN   5           HB1      GLN   5   3.559  -5.164  -3.715
   34   1HG   GLN   5           HG2      GLN   5   1.966  -7.075  -1.985
   35   2HG   GLN   5           HG1      GLN   5   1.242  -6.185  -3.288
   36   1HE2  GLN   5          HE21      GLN   5   3.653  -9.239  -4.330
   37   2HE2  GLN   5          HE22      GLN   5   3.972  -8.514  -2.821
   38    H    CYS   6           HN       CYS   6   3.538  -4.222  -0.422
   39    HA   CYS   6           HA       CYS   6   5.648  -2.195  -0.626
   40   1HB   CYS   6           HB2      CYS   6   3.219  -2.418   1.171
   41   2HB   CYS   6           HB1      CYS   6   4.118  -0.961   0.801
   42    HG   CYS   6           HG1      CYS   6   3.065  -0.780  -1.393
   43    H    CYS   7           HN       CYS   7   4.716  -4.615   1.698
   44    HA   CYS   7           HA       CYS   7   6.979  -3.760   3.452
   45   1HB   CYS   7           HB2      CYS   7   4.688  -3.653   4.197
   46   2HB   CYS   7           HB1      CYS   7   4.388  -5.295   3.821
   47    HG   CYS   7           HG1      CYS   7   5.674  -6.059   5.914
   48    H    THR   8           HN       THR   8   6.627  -5.650   0.955
   49    HA   THR   8           HA       THR   8   8.820  -7.506   1.709
   50    HB   THR   8           HB       THR   8   6.335  -8.936   0.569
   51    HG1  THR   8           HG1      THR   8   7.085  -8.139   3.184
   52   1HG2  THR   8          HG21      THR   8   8.628  -9.767   2.382
   53   2HG2  THR   8          HG23      THR   8   7.414 -10.801   1.662
   54   3HG2  THR   8          HG22      THR   8   8.641 -10.057   0.648
   55    H    SER   9           HN       SER   9   6.500  -7.284  -1.013
   56    HA   SER   9           HA       SER   9   8.837  -7.524  -2.916
   57   1HB   SER   9           HB2      SER   9   5.924  -8.040  -3.655
   58   2HB   SER   9           HB1      SER   9   7.383  -8.465  -4.551
   59    HG   SER   9           HG1      SER   9   6.381  -9.478  -2.165
   60    H    ILE  10           HN       ILE  10   9.211  -5.426  -2.665
   61    HA   ILE  10           HA       ILE  10   8.669  -3.033  -2.733
   62    HB   ILE  10           HB       ILE  10   9.771  -4.243  -5.348
   63   1HG1  ILE  10          HG12      ILE  10  11.170  -2.861  -2.991
   64   2HG1  ILE  10          HG11      ILE  10  11.020  -4.589  -3.150
   65   1HG2  ILE  10          HG21      ILE  10   9.890  -1.329  -4.417
   66   2HG2  ILE  10          HG23      ILE  10  10.736  -1.942  -5.831
   67   3HG2  ILE  10          HG22      ILE  10   8.995  -1.867  -5.814
   68   1HD1  ILE  10           HD2      ILE  10  12.319  -4.553  -5.280
   69   2HD1  ILE  10           HD1      ILE  10  12.521  -2.816  -5.143
   70   3HD1  ILE  10           HD3      ILE  10  13.239  -3.878  -3.948
   71    H    CYS  11           HN       CYS  11   6.909  -2.227  -2.545
   72    HA   CYS  11           HA       CYS  11   5.320  -1.486  -4.919
   73   1HB   CYS  11           HB2      CYS  11   4.136  -3.271  -4.117
   74   2HB   CYS  11           HB1      CYS  11   4.510  -2.867  -2.471
   75    HG   CYS  11           HG1      CYS  11   1.996  -1.996  -3.914
   76    H    SER  12           HN       SER  12   5.480   0.588  -5.068
   77    HA   SER  12           HA       SER  12   5.323   2.302  -2.638
   78   1HB   SER  12           HB2      SER  12   5.905   3.149  -5.442
   79   2HB   SER  12           HB1      SER  12   6.286   4.178  -4.097
   80    HG   SER  12           HG1      SER  12   7.937   2.727  -5.218
   81    H    LEU  13           HN       LEU  13   4.695   4.723  -3.510
   82    HA   LEU  13           HA       LEU  13   2.079   5.132  -2.951
   83   1HB   LEU  13           HB2      LEU  13   3.886   6.810  -3.280
   84   2HB   LEU  13           HB1      LEU  13   4.025   6.430  -4.971
   85    HG   LEU  13           HG       LEU  13   2.937   8.533  -4.798
   86   1HD1  LEU  13          HD12      LEU  13   1.951   7.129  -6.551
   87   2HD1  LEU  13          HD11      LEU  13   0.742   6.570  -5.403
   88   3HD1  LEU  13          HD13      LEU  13   0.800   8.227  -5.824
   89   1HD2  LEU  13          HD21      LEU  13   2.179   8.288  -2.421
   90   2HD2  LEU  13          HD23      LEU  13   0.866   8.794  -3.476
   91   3HD2  LEU  13          HD22      LEU  13   0.959   7.138  -2.963
   92    OH   TYR  14           OH       TYR  14   8.242   3.441  -6.998
   93    H    TYR  14           HN       TYR  14   3.346   4.963  -6.019
   94    HA   TYR  14           HA       TYR  14   0.965   4.747  -7.520
   95   1HB   TYR  14           HB2      TYR  14   2.500   3.170  -9.133
   96   2HB   TYR  14           HB1      TYR  14   2.645   4.901  -9.106
   97    HD1  TYR  14           HD2      TYR  14   4.542   5.946  -7.846
   98    HD2  TYR  14           HD1      TYR  14   4.279   1.736  -8.303
   99    HE1  TYR  14           HE2      TYR  14   6.901   5.726  -7.200
  100    HE2  TYR  14           HE1      TYR  14   6.641   1.522  -7.658
  101    HH   TYR  14           HH       TYR  14   8.596   4.342  -6.938
  102    H    GLN  15           HN       GLN  15   2.593   2.022  -5.849
  103    HA   GLN  15           HA       GLN  15   0.568   0.242  -7.095
  104   1HB   GLN  15           HB2      GLN  15   2.918  -0.129  -5.171
  105   2HB   GLN  15           HB1      GLN  15   1.851  -1.470  -5.595
  106   1HG   GLN  15           HG2      GLN  15   2.556  -1.558  -7.869
  107   2HG   GLN  15           HG1      GLN  15   2.984   0.135  -7.922
  108   1HE2  GLN  15          HE21      GLN  15   5.794  -2.508  -6.944
  109   2HE2  GLN  15          HE22      GLN  15   4.264  -3.025  -7.471
  110    H    LEU  16           HN       LEU  16   1.116   1.777  -4.194
  111    HA   LEU  16           HA       LEU  16  -0.833   0.519  -2.620
  112   1HB   LEU  16           HB2      LEU  16   0.650   3.115  -2.499
  113   2HB   LEU  16           HB1      LEU  16  -0.931   3.268  -1.787
  114    HG   LEU  16           HG       LEU  16  -0.427   1.223  -0.345
  115   1HD1  LEU  16          HD11      LEU  16   2.405   1.595  -1.441
  116   2HD1  LEU  16          HD13      LEU  16   1.930   0.520  -0.156
  117   3HD1  LEU  16          HD12      LEU  16   1.352   0.242  -1.784
  118   1HD2  LEU  16          HD22      LEU  16   1.584   3.478  -0.074
  119   2HD2  LEU  16          HD21      LEU  16  -0.048   3.478   0.591
  120   3HD2  LEU  16          HD23      LEU  16   1.142   2.336   1.169
  121    H    GLU  17           HN       GLU  17  -0.937   3.216  -4.811
  122    HA   GLU  17           HA       GLU  17  -3.790   3.731  -4.861
  123   1HB   GLU  17           HB2      GLU  17  -1.422   4.522  -6.532
  124   2HB   GLU  17           HB1      GLU  17  -3.047   5.150  -6.811
  125   1HG   GLU  17           HG2      GLU  17  -3.231   5.725  -4.330
  126   2HG   GLU  17           HG1      GLU  17  -1.621   5.129  -4.084
  127    H    ASN  18           HN       ASN  18  -2.445   1.082  -5.758
  128    HA   ASN  18           HA       ASN  18  -4.348   0.461  -7.999
  129   1HB   ASN  18           HB2      ASN  18  -1.527  -0.507  -7.325
  130   2HB   ASN  18           HB1      ASN  18  -2.503  -1.297  -8.540
  131   1HD2  ASN  18          HD21      ASN  18  -1.974   2.356  -9.863
  132   2HD2  ASN  18          HD22      ASN  18  -3.155   2.065  -8.670
  133    OH   TYR  19           OH       TYR  19  -4.163  -0.445   2.259
  134    H    TYR  19           HN       TYR  19  -4.030   0.286  -4.843
  135    HA   TYR  19           HA       TYR  19  -5.515  -2.271  -4.385
  136   1HB   TYR  19           HB2      TYR  19  -3.658  -2.962  -3.126
  137   2HB   TYR  19           HB1      TYR  19  -2.846  -1.449  -3.467
  138    HD1  TYR  19           HD1      TYR  19  -5.167  -3.134  -1.177
  139    HD2  TYR  19           HD2      TYR  19  -2.654   0.190  -1.898
  140    HE1  TYR  19           HE1      TYR  19  -5.294  -2.455   1.169
  141    HE2  TYR  19           HE2      TYR  19  -2.783   0.872   0.410
  142    HH   TYR  19           HH       TYR  19  -4.888   0.196   2.183
  143    H    CYS  20           HN       CYS  20  -4.841   0.856  -3.051
  144    HA   CYS  20           HA       CYS  20  -6.882   1.227  -1.026
  145   1HB   CYS  20           HB2      CYS  20  -5.993   3.291  -0.863
  146   2HB   CYS  20           HB1      CYS  20  -4.716   2.196  -1.201
  147    HG   CYS  20           HG1      CYS  20  -4.093   3.395  -3.200
  148    H    ASN  21           HN       ASN  21  -8.784   0.460  -2.154
  149    HA   ASN  21           HA       ASN  21 -10.253   0.607  -4.232
  150   1HB   ASN  21           HB2      ASN  21 -12.201   1.797  -2.873
  151   2HB   ASN  21           HB1      ASN  21 -11.445   0.374  -2.184
  152   1HD2  ASN  21          HD21      ASN  21 -10.311   2.006   0.561
  153   2HD2  ASN  21          HD22      ASN  21 -10.795   0.574  -0.186
  154    H    PHE   1           HN       PHE   1   8.835   7.489  -8.546
  155    HA   PHE   1           HA       PHE   1   9.638   9.200  -6.393
  156   1HB   PHE   1           HB2      PHE   1   7.247   9.848  -6.593
  157   2HB   PHE   1           HB1      PHE   1   6.756   8.186  -6.435
  158    HD1  PHE   1           HD1      PHE   1   9.277  10.014  -4.317
  159    HD2  PHE   1           HD2      PHE   1   5.410   8.260  -4.548
  160    HE1  PHE   1           HE1      PHE   1   8.985  10.333  -1.903
  161    HE2  PHE   1           HE2      PHE   1   5.113   8.585  -2.137
  162    HZ   PHE   1           HZ       PHE   1   6.902   9.625  -0.806
  163    H    VAL   2           HN       VAL   2  10.423   7.928  -4.570
  164    HA   VAL   2           HA       VAL   2  10.387   5.089  -4.957
  165    HB   VAL   2           HB       VAL   2  12.446   5.791  -5.574
  166   1HG1  VAL   2          HG11      VAL   2  12.610   7.400  -2.945
  167   2HG1  VAL   2          HG13      VAL   2  13.914   7.275  -4.110
  168   3HG1  VAL   2          HG12      VAL   2  12.446   8.121  -4.540
  169   1HG2  VAL   2          HG21      VAL   2  12.601   3.858  -4.059
  170   2HG2  VAL   2          HG23      VAL   2  14.015   4.873  -3.875
  171   3HG2  VAL   2          HG22      VAL   2  12.749   4.917  -2.668
  172    H    ASN   3           HN       ASN   3   9.389   4.100  -3.585
  173    HA   ASN   3           HA       ASN   3   9.556   4.576  -0.638
  174   1HB   ASN   3           HB2      ASN   3   7.117   3.390  -2.048
  175   2HB   ASN   3           HB1      ASN   3   7.166   4.056  -0.434
  176   1HD2  ASN   3          HD21      ASN   3   7.468   7.387  -2.224
  177   2HD2  ASN   3          HD22      ASN   3   8.708   6.508  -1.469
  178    H    GLN   4           HN       GLN   4   8.771   2.285  -2.923
  179    HA   GLN   4           HA       GLN   4   9.019  -0.031  -3.106
  180   1HB   GLN   4           HB2      GLN   4  11.629   1.027  -1.957
  181   2HB   GLN   4           HB1      GLN   4  11.496  -0.661  -2.372
  182   1HG   GLN   4           HG2      GLN   4  12.485   1.111  -4.117
  183   2HG   GLN   4           HG1      GLN   4  11.549  -0.202  -4.735
  184   1HE2  GLN   4          HE21      GLN   4   9.454   2.110  -6.320
  185   2HE2  GLN   4          HE22      GLN   4  10.063   0.520  -6.304
  186    H    HIS   5           HN       HIS   5  10.524   0.437   0.047
  187    HA   HIS   5           HA       HIS   5   8.975  -1.886   1.089
  188   1HB   HIS   5           HB2      HIS   5  11.811  -1.030   1.608
  189   2HB   HIS   5           HB1      HIS   5  10.996  -2.204   2.621
  190    HD1  HIS   5           HD1      HIS   5   9.557  -3.810   0.628
  191    HD2  HIS   5           HD2      HIS   5  13.366  -2.581  -0.056
  192    HE1  HIS   5           HE1      HIS   5  10.541  -5.417  -1.034
  193    H    LEU   6           HN       LEU   6   7.272  -0.548   1.895
  194    HA   LEU   6           HA       LEU   6   7.866   0.794   4.522
  195   1HB   LEU   6           HB2      LEU   6   5.734   2.064   4.115
  196   2HB   LEU   6           HB1      LEU   6   6.962   2.389   2.920
  197    HG   LEU   6           HG       LEU   6   4.814   0.323   2.349
  198   1HD1  LEU   6          HD12      LEU   6   3.745   2.539   3.020
  199   2HD1  LEU   6          HD11      LEU   6   4.751   3.359   1.852
  200   3HD1  LEU   6          HD13      LEU   6   3.531   2.220   1.311
  201   1HD2  LEU   6          HD22      LEU   6   6.375   2.293   0.604
  202   2HD2  LEU   6          HD21      LEU   6   6.775   0.601   0.706
  203   3HD2  LEU   6          HD23      LEU   6   5.250   1.083   0.023
  204    H    CYS   7           HN       CYS   7   6.940  -0.219   6.307
  205    HA   CYS   7           HA       CYS   7   5.101  -2.529   5.750
  206   1HB   CYS   7           HB2      CYS   7   7.427  -2.941   6.574
  207   2HB   CYS   7           HB1      CYS   7   6.969  -2.208   8.093
  208    HG   CYS   7           HG1      CYS   7   5.752  -4.279   8.748
  209    H    GLY   8           HN       GLY   8   4.081  -3.411   7.711
  210   1HA   GLY   8           HA2      GLY   8   1.767  -3.077   8.545
  211   2HA   GLY   8           HA1      GLY   8   2.869  -2.731   9.873
  212    H    ASP   9           HN       ASP   9   3.010  -0.869  10.666
  213    HA   ASP   9           HA       ASP   9   0.784   0.918  10.562
  214   1HB   ASP   9           HB2      ASP   9   2.307   2.154  12.233
  215   2HB   ASP   9           HB1      ASP   9   2.223   0.441  12.599
  216    H    HIS  10           HN       HIS  10   4.088   1.431   9.733
  217    HA   HIS  10           HA       HIS  10   4.003   3.918   8.452
  218   1HB   HIS  10           HB2      HIS  10   5.950   2.393   9.075
  219   2HB   HIS  10           HB1      HIS  10   5.630   1.489   7.603
  220    HD1  HIS  10           HD1      HIS  10   5.242   4.036   5.804
  221    HD2  HIS  10           HD2      HIS  10   8.389   3.443   8.314
  222    HE1  HIS  10           HE1      HIS  10   7.123   5.446   4.938
  223    H    LEU  11           HN       LEU  11   2.908   1.034   7.254
  224    HA   LEU  11           HA       LEU  11   2.457   1.947   4.455
  225   1HB   LEU  11           HB2      LEU  11   3.334  -0.317   4.936
  226   2HB   LEU  11           HB1      LEU  11   1.972  -0.655   5.979
  227    HG   LEU  11           HG       LEU  11   0.432  -0.695   4.146
  228   1HD1  LEU  11          HD11      LEU  11   2.796   0.242   2.438
  229   2HD1  LEU  11          HD13      LEU  11   1.228  -0.164   1.793
  230   3HD1  LEU  11          HD12      LEU  11   1.396   1.214   2.843
  231   1HD2  LEU  11          HD22      LEU  11   3.095  -1.986   3.374
  232   2HD2  LEU  11          HD21      LEU  11   1.894  -2.690   4.450
  233   3HD2  LEU  11          HD23      LEU  11   1.532  -2.483   2.745
  234    H    VAL  12           HN       VAL  12   0.335   0.614   7.034
  235    HA   VAL  12           HA       VAL  12  -2.072   1.391   5.815
  236    HB   VAL  12           HB       VAL  12  -2.129   0.060   7.875
  237   1HG1  VAL  12          HG12      VAL  12  -0.217   1.176   8.921
  238   2HG1  VAL  12          HG11      VAL  12  -1.153   2.614   9.252
  239   3HG1  VAL  12          HG13      VAL  12  -1.551   1.121  10.053
  240   1HG2  VAL  12          HG21      VAL  12  -4.106   1.598   7.378
  241   2HG2  VAL  12          HG23      VAL  12  -3.878   1.403   9.111
  242   3HG2  VAL  12          HG22      VAL  12  -3.324   2.847   8.316
  243    H    GLU  13           HN       GLU  13   0.012   3.403   7.890
  244    HA   GLU  13           HA       GLU  13  -1.645   5.684   8.032
  245   1HB   GLU  13           HB2      GLU  13   1.396   5.433   8.065
  246   2HB   GLU  13           HB1      GLU  13   0.497   6.853   8.587
  247   1HG   GLU  13           HG2      GLU  13   0.282   4.066   9.898
  248   2HG   GLU  13           HG1      GLU  13   1.003   5.484  10.598
  249    H    ALA  14           HN       ALA  14  -0.658   4.398   5.156
  250    HA   ALA  14           HA       ALA  14  -0.240   7.037   3.960
  251   1HB   ALA  14           HB2      ALA  14   1.363   5.091   3.439
  252   2HB   ALA  14           HB1      ALA  14   0.021   4.136   2.877
  253   3HB   ALA  14           HB3      ALA  14   0.543   5.537   1.953
  254    H    LEU  15           HN       LEU  15  -2.046   4.229   3.603
  255    HA   LEU  15           HA       LEU  15  -3.996   4.407   1.783
  256   1HB   LEU  15           HB2      LEU  15  -4.280   3.786   4.699
  257   2HB   LEU  15           HB1      LEU  15  -5.543   3.424   3.589
  258    HG   LEU  15           HG       LEU  15  -4.166   1.955   2.334
  259   1HD1  LEU  15          HD11      LEU  15  -1.850   2.497   4.062
  260   2HD1  LEU  15          HD13      LEU  15  -1.991   1.177   2.923
  261   3HD1  LEU  15          HD12      LEU  15  -1.968   2.816   2.330
  262   1HD2  LEU  15          HD22      LEU  15  -3.981   1.656   5.351
  263   2HD2  LEU  15          HD21      LEU  15  -5.243   1.022   4.328
  264   3HD2  LEU  15          HD23      LEU  15  -3.650   0.323   4.283
  265    OH   TYR  16           OH       TYR  16  -4.657   3.933   9.931
  266    H    TYR  16           HN       TYR  16  -4.706   5.761   4.858
  267    HA   TYR  16           HA       TYR  16  -7.083   7.120   4.550
  268   1HB   TYR  16           HB2      TYR  16  -4.800   8.520   5.968
  269   2HB   TYR  16           HB1      TYR  16  -6.502   8.509   6.378
  270    HD1  TYR  16           HD1      TYR  16  -7.022   5.485   6.390
  271    HD2  TYR  16           HD2      TYR  16  -3.813   7.852   7.903
  272    HE1  TYR  16           HE1      TYR  16  -6.522   3.782   8.143
  273    HE2  TYR  16           HE2      TYR  16  -3.373   6.174   9.598
  274    HH   TYR  16           HH       TYR  16  -3.738   4.128  10.202
  275    H    LEU  17           HN       LEU  17  -4.016   8.333   3.464
  276    HA   LEU  17           HA       LEU  17  -5.303  10.788   2.333
  277   1HB   LEU  17           HB2      LEU  17  -2.368   9.936   2.709
  278   2HB   LEU  17           HB1      LEU  17  -2.853  11.459   1.989
  279    HG   LEU  17           HG       LEU  17  -3.621  10.604   4.831
  280   1HD1  LEU  17          HD11      LEU  17  -1.464  12.524   3.819
  281   2HD1  LEU  17          HD13      LEU  17  -1.869  12.247   5.503
  282   3HD1  LEU  17          HD12      LEU  17  -1.156  10.958   4.552
  283   1HD2  LEU  17          HD22      LEU  17  -3.722  13.297   3.370
  284   2HD2  LEU  17          HD21      LEU  17  -5.124  12.314   3.750
  285   3HD2  LEU  17          HD23      LEU  17  -4.182  13.026   5.040
  286    H    VAL  18           HN       VAL  18  -3.134   8.180   1.412
  287    HA   VAL  18           HA       VAL  18  -2.840   8.369  -1.332
  288    HB   VAL  18           HB       VAL  18  -3.529   5.949   0.416
  289   1HG1  VAL  18          HG12      VAL  18  -3.926   5.532  -2.055
  290   2HG1  VAL  18          HG11      VAL  18  -2.297   6.061  -2.350
  291   3HG1  VAL  18          HG13      VAL  18  -2.581   4.584  -1.443
  292   1HG2  VAL  18          HG21      VAL  18  -1.350   7.223   0.857
  293   2HG2  VAL  18          HG23      VAL  18  -1.052   5.600   0.246
  294   3HG2  VAL  18          HG22      VAL  18  -0.929   6.982  -0.826
  295    H    CYS  19           HN       CYS  19  -5.584   6.216  -0.359
  296    HA   CYS  19           HA       CYS  19  -7.167   7.592  -2.521
  297   1HB   CYS  19           HB2      CYS  19  -6.963   4.824  -1.481
  298   2HB   CYS  19           HB1      CYS  19  -8.255   5.235  -2.534
  299    HG   CYS  19           HG1      CYS  19  -6.606   5.391  -4.504
  300    H    GLY  20           HN       GLY  20  -7.010   7.704   0.673
  301   1HA   GLY  20           HA2      GLY  20  -8.749   8.707   2.118
  302   2HA   GLY  20           HA1      GLY  20  -9.993   8.111   0.992
  303    H    GLU  21           HN       GLU  21  -9.216   5.860   0.521
  304    HA   GLU  21           HA       GLU  21  -9.248   3.672   0.830
  305   1HB   GLU  21           HB2      GLU  21  -7.810   4.730   3.201
  306   2HB   GLU  21           HB1      GLU  21  -8.402   3.078   3.304
  307   1HG   GLU  21           HG2      GLU  21  -7.221   3.920   0.634
  308   2HG   GLU  21           HG1      GLU  21  -6.041   3.579   1.813
  309    NH1  ARG  22           NH1      ARG  22 -13.129   4.853  -3.217
  310    NH2  ARG  22           NH2      ARG  22 -11.140   5.629  -2.774
  311    H    ARG  22           HN       ARG  22 -11.130   4.005   0.545
  312    HA   ARG  22           HA       ARG  22 -13.302   3.560   2.294
  313   1HB   ARG  22           HB2      ARG  22 -12.888   3.616  -0.675
  314   2HB   ARG  22           HB1      ARG  22 -14.466   3.298  -0.048
  315   1HG   ARG  22           HG2      ARG  22 -14.640   5.713  -0.083
  316   2HG   ARG  22           HG1      ARG  22 -13.790   5.603   1.433
  317   1HD   ARG  22           HD2      ARG  22 -12.382   7.099   0.269
  318   2HD   ARG  22           HD1      ARG  22 -11.592   5.588  -0.122
  319    HE   ARG  22           HE       ARG  22 -13.487   7.029  -1.979
  320   1HH1  ARG  22          HH12      ARG  22 -14.098   4.857  -3.020
  321   2HH1  ARG  22          HH11      ARG  22 -12.707   4.280  -3.908
  322   1HH2  ARG  22          HH22      ARG  22 -10.597   6.243  -2.213
  323   2HH2  ARG  22          HH21      ARG  22 -10.733   5.050  -3.468
  324    H    GLY  23           HN       GLY  23 -11.825   1.557   2.945
  325   1HA   GLY  23           HA2      GLY  23 -12.555  -0.793   3.423
  326   2HA   GLY  23           HA1      GLY  23 -13.161  -0.899   1.789
  327    H    PHE  24           HN       PHE  24  -9.979   0.205   2.728
  328    HA   PHE  24           HA       PHE  24  -8.119  -0.595   1.205
  329   1HB   PHE  24           HB2      PHE  24  -7.612  -2.148   3.668
  330   2HB   PHE  24           HB1      PHE  24  -6.782  -0.768   2.972
  331    HD1  PHE  24           HD1      PHE  24  -9.637  -1.720   5.119
  332    HD2  PHE  24           HD2      PHE  24  -7.095   1.400   3.810
  333    HE1  PHE  24           HE1      PHE  24 -10.475  -0.263   6.932
  334    HE2  PHE  24           HE2      PHE  24  -7.905   2.852   5.598
  335    HZ   PHE  24           HZ       PHE  24  -9.619   2.027   7.167
  336    H    PHE  25           HN       PHE  25  -8.134  -1.967  -0.500
  337    HA   PHE  25           HA       PHE  25  -9.154  -4.660  -0.357
  338   1HB   PHE  25           HB2      PHE  25  -7.354  -3.293  -2.396
  339   2HB   PHE  25           HB1      PHE  25  -8.133  -4.830  -2.660
  340    HD1  PHE  25           HD2      PHE  25 -10.602  -3.141  -0.845
  341    HD2  PHE  25           HD1      PHE  25  -8.652  -3.037  -4.630
  342    HE1  PHE  25           HE2      PHE  25 -12.539  -2.034  -1.806
  343    HE2  PHE  25           HE1      PHE  25 -10.607  -1.923  -5.602
  344    HZ   PHE  25           HZ       PHE  25 -12.565  -1.415  -4.190
  345    OH   TYR  26           OH       TYR  26  -3.034  -1.918   4.515
  346    H    TYR  26           HN       TYR  26  -7.832  -5.316   1.621
  347    HA   TYR  26           HA       TYR  26  -5.045  -6.132   1.171
  348   1HB   TYR  26           HB2      TYR  26  -7.025  -6.410   3.453
  349   2HB   TYR  26           HB1      TYR  26  -5.578  -7.406   3.482
  350    HD1  TYR  26           HD1      TYR  26  -6.632  -3.913   2.798
  351    HD2  TYR  26           HD2      TYR  26  -3.594  -6.424   4.336
  352    HE1  TYR  26           HE1      TYR  26  -5.301  -1.943   3.443
  353    HE2  TYR  26           HE2      TYR  26  -2.279  -4.391   4.971
  354    HH   TYR  26           HH       TYR  26  -3.356  -1.333   3.812
  355    H    THR  27           HN       THR  27  -5.627  -7.264  -0.822
  356    HA   THR  27           HA       THR  27  -6.482 -10.106  -0.429
  357    HB   THR  27           HB       THR  27  -7.779  -9.148  -2.172
  358    HG1  THR  27           HG1      THR  27  -7.198 -10.694  -3.501
  359   1HG2  THR  27          HG21      THR  27  -5.165  -8.253  -3.465
  360   2HG2  THR  27          HG23      THR  27  -6.772  -8.031  -4.120
  361   3HG2  THR  27          HG22      THR  27  -6.279  -7.138  -2.697
  362    HA   PRO  28           HA       PRO  28  -2.324 -11.442  -1.377
  363   1HB   PRO  28           HB2      PRO  28  -3.829 -14.060  -1.082
  364   2HB   PRO  28           HB1      PRO  28  -2.154 -13.676  -0.654
  365   1HG   PRO  28           HG2      PRO  28  -3.907 -13.510   1.330
  366   2HG   PRO  28           HG1      PRO  28  -2.858 -12.108   1.085
  367   1HD   PRO  28           HD1      PRO  28  -5.737 -12.475   0.134
  368   2HD   PRO  28           HD2      PRO  28  -5.017 -11.080   0.961
  369    H    LYS  29           HN       LYS  29  -4.480 -10.860  -3.330
  370    HA   LYS  29           HA       LYS  29  -5.147 -11.930  -5.502
  371   1HB   LYS  29           HB2      LYS  29  -4.088  -9.913  -6.782
  372   2HB   LYS  29           HB1      LYS  29  -5.118  -9.617  -5.401
  373   1HG   LYS  29           HG2      LYS  29  -2.944  -8.238  -5.524
  374   2HG   LYS  29           HG1      LYS  29  -3.341  -8.979  -3.998
  375   1HD   LYS  29           HD2      LYS  29  -1.724 -10.891  -4.557
  376   2HD   LYS  29           HD1      LYS  29  -1.352 -10.079  -6.051
  377   1HE   LYS  29           HE2      LYS  29   0.346  -9.732  -4.246
  378   2HE   LYS  29           HE1      LYS  29  -0.342  -8.231  -4.847
  379   1HZ   LYS  29           HZ1      LYS  29  -1.997  -9.116  -2.688
  380   2HZ   LYS  29           HZ3      LYS  29  -0.433  -9.282  -2.218
  381   3HZ   LYS  29           HZ2      LYS  29  -0.921  -7.805  -2.719
  382    H    THR  30           HN       THR  30  -3.555 -14.023  -5.237
  383    HA   THR  30           HA       THR  30  -1.863 -14.038  -7.745
  384    HB   THR  30           HB       THR  30  -0.427 -15.833  -6.584
  385    HG1  THR  30           HG1      THR  30  -1.805 -14.767  -4.361
  386   1HG2  THR  30          HG21      THR  30  -0.700 -13.260  -4.923
  387   2HG2  THR  30          HG23      THR  30   0.684 -14.329  -5.007
  388   3HG2  THR  30          HG22      THR  30   0.242 -13.345  -6.397
   
  Start of MODEL          10
 Raw file had  388 H/Q atoms
  Start of MODEL   10
    1    H    GLY   1           HN       GLY   1  -1.144  -6.902  -5.363
    2   1HA   GLY   1           HA2      GLY   1  -2.172  -8.560  -3.169
    3   2HA   GLY   1           HA1      GLY   1  -0.423  -8.637  -3.211
    4    H    ILE   2           HN       ILE   2   0.616  -6.642  -3.154
    5    HA   ILE   2           HA       ILE   2   0.654  -4.177  -2.571
    6    HB   ILE   2           HB       ILE   2  -1.633  -4.287  -1.329
    7   1HG1  ILE   2          HG12      ILE   2   0.820  -3.048   0.006
    8   2HG1  ILE   2          HG11      ILE   2  -0.305  -2.284  -1.067
    9   1HG2  ILE   2          HG22      ILE   2  -1.078  -6.349   0.132
   10   2HG2  ILE   2          HG21      ILE   2  -0.028  -5.280   1.070
   11   3HG2  ILE   2          HG23      ILE   2  -1.744  -4.981   0.977
   12   1HD1  ILE   2           HD2      ILE   2  -2.128  -2.423   0.704
   13   2HD1  ILE   2           HD1      ILE   2  -1.003  -3.182   1.810
   14   3HD1  ILE   2           HD3      ILE   2  -0.721  -1.563   1.287
   15    H    VAL   3           HN       VAL   3   0.837  -6.626  -0.021
   16    HA   VAL   3           HA       VAL   3   3.184  -5.651   1.239
   17    HB   VAL   3           HB       VAL   3   3.375  -8.062   2.161
   18   1HG1  VAL   3          HG12      VAL   3   2.027  -6.285   3.297
   19   2HG1  VAL   3          HG11      VAL   3   0.628  -6.727   2.337
   20   3HG1  VAL   3          HG13      VAL   3   1.289  -7.864   3.485
   21   1HG2  VAL   3          HG22      VAL   3   0.814  -8.487   0.519
   22   2HG2  VAL   3          HG21      VAL   3   2.317  -9.338   0.288
   23   3HG2  VAL   3          HG23      VAL   3   1.421  -9.558   1.760
   24    H    GLU   4           HN       GLU   4   3.280  -8.530  -0.931
   25    HA   GLU   4           HA       GLU   4   6.105  -8.582  -0.977
   26   1HB   GLU   4           HB2      GLU   4   5.743 -10.149  -2.899
   27   2HB   GLU   4           HB1      GLU   4   4.525 -10.419  -1.673
   28   1HG   GLU   4           HG2      GLU   4   4.113  -8.778  -4.221
   29   2HG   GLU   4           HG1      GLU   4   3.475 -10.373  -3.918
   30    H    GLN   5           HN       GLN   5   4.543  -6.065  -2.088
   31    HA   GLN   5           HA       GLN   5   6.657  -5.343  -4.124
   32   1HB   GLN   5           HB2      GLN   5   3.817  -4.215  -3.890
   33   2HB   GLN   5           HB1      GLN   5   4.986  -3.983  -5.196
   34   1HG   GLN   5           HG2      GLN   5   4.705  -6.180  -6.055
   35   2HG   GLN   5           HG1      GLN   5   3.850  -6.729  -4.622
   36   1HE2  GLN   5          HE21      GLN   5   0.795  -5.718  -5.850
   37   2HE2  GLN   5          HE22      GLN   5   1.716  -6.642  -4.743
   38    H    CYS   6           HN       CYS   6   4.432  -3.895  -1.767
   39    HA   CYS   6           HA       CYS   6   6.052  -1.524  -1.372
   40   1HB   CYS   6           HB2      CYS   6   3.827  -2.750   0.270
   41   2HB   CYS   6           HB1      CYS   6   4.347  -1.082   0.322
   42    HG   CYS   6           HG1      CYS   6   3.286  -0.622  -1.847
   43    H    CYS   7           HN       CYS   7   6.086  -4.643   0.007
   44    HA   CYS   7           HA       CYS   7   8.072  -3.783   2.062
   45   1HB   CYS   7           HB2      CYS   7   6.016  -4.335   2.921
   46   2HB   CYS   7           HB1      CYS   7   5.743  -5.704   1.953
   47    HG   CYS   7           HG1      CYS   7   7.244  -7.135   3.497
   48    H    THR   8           HN       THR   8   8.005  -5.049  -0.829
   49    HA   THR   8           HA       THR   8  10.567  -6.530  -0.524
   50    HB   THR   8           HB       THR   8   8.187  -8.001  -1.836
   51    HG1  THR   8           HG1      THR   8   9.197  -7.809   0.713
   52   1HG2  THR   8          HG22      THR   8  10.526  -8.651  -2.630
   53   2HG2  THR   8          HG21      THR   8  10.899  -8.988  -0.939
   54   3HG2  THR   8          HG23      THR   8   9.639  -9.890  -1.758
   55    H    SER   9           HN       SER   9   8.132  -6.125  -3.062
   56    HA   SER   9           HA       SER   9  10.320  -5.301  -4.967
   57   1HB   SER   9           HB2      SER   9   7.502  -6.091  -5.837
   58   2HB   SER   9           HB1      SER   9   9.012  -6.097  -6.759
   59    HG   SER   9           HG1      SER   9   8.181  -7.776  -4.664
   60    H    ILE  10           HN       ILE  10  10.211  -3.394  -3.905
   61    HA   ILE  10           HA       ILE  10   9.087  -1.311  -3.252
   62    HB   ILE  10           HB       ILE  10  10.232   0.262  -4.866
   63   1HG1  ILE  10          HG12      ILE  10   9.823  -1.043  -6.940
   64   2HG1  ILE  10          HG11      ILE  10  11.399  -0.344  -6.754
   65   1HG2  ILE  10          HG22      ILE  10  11.459  -0.744  -2.978
   66   2HG2  ILE  10          HG21      ILE  10  11.864  -2.128  -3.956
   67   3HG2  ILE  10          HG23      ILE  10  12.509  -0.544  -4.365
   68   1HD1  ILE  10           HD2      ILE  10  12.304  -2.628  -6.083
   69   2HD1  ILE  10           HD1      ILE  10  10.705  -3.311  -6.316
   70   3HD1  ILE  10           HD3      ILE  10  11.572  -2.654  -7.675
   71    H    CYS  11           HN       CYS  11   6.944  -1.498  -3.372
   72    HA   CYS  11           HA       CYS  11   5.526  -0.227  -5.696
   73   1HB   CYS  11           HB2      CYS  11   4.300  -2.116  -5.388
   74   2HB   CYS  11           HB1      CYS  11   5.015  -2.331  -3.816
   75    HG   CYS  11           HG1      CYS  11   2.289  -1.032  -4.164
   76    H    SER  12           HN       SER  12   6.138   2.104  -4.935
   77    HA   SER  12           HA       SER  12   4.385   2.774  -2.586
   78   1HB   SER  12           HB2      SER  12   5.858   4.622  -2.105
   79   2HB   SER  12           HB1      SER  12   6.676   3.029  -2.186
   80    HG   SER  12           HG1      SER  12   7.280   5.163  -3.684
   81    H    LEU  13           HN       LEU  13   2.649   3.099  -3.591
   82    HA   LEU  13           HA       LEU  13   0.991   4.924  -3.264
   83   1HB   LEU  13           HB2      LEU  13   2.570   6.763  -3.908
   84   2HB   LEU  13           HB1      LEU  13   2.705   6.142  -5.528
   85    HG   LEU  13           HG       LEU  13   0.252   6.569  -5.883
   86   1HD1  LEU  13          HD11      LEU  13   0.493   7.813  -3.092
   87   2HD1  LEU  13          HD13      LEU  13  -0.901   7.916  -4.164
   88   3HD1  LEU  13          HD12      LEU  13  -0.448   6.376  -3.488
   89   1HD2  LEU  13          HD22      LEU  13   1.925   8.876  -4.789
   90   2HD2  LEU  13          HD21      LEU  13   2.033   8.226  -6.414
   91   3HD2  LEU  13          HD23      LEU  13   0.557   9.018  -5.892
   92    OH   TYR  14           OH       TYR  14   7.290   3.098  -6.239
   93    H    TYR  14           HN       TYR  14   2.394   4.395  -6.177
   94    HA   TYR  14           HA       TYR  14   0.191   3.788  -7.918
   95   1HB   TYR  14           HB2      TYR  14   2.025   2.316  -9.197
   96   2HB   TYR  14           HB1      TYR  14   2.072   4.062  -9.203
   97    HD1  TYR  14           HD1      TYR  14   3.514   5.248  -7.482
   98    HD2  TYR  14           HD2      TYR  14   3.872   1.086  -8.312
   99    HE1  TYR  14           HE1      TYR  14   5.726   5.246  -6.442
  100    HE2  TYR  14           HE2      TYR  14   6.116   1.115  -7.278
  101    HH   TYR  14           HH       TYR  14   7.226   3.667  -5.462
  102    H    GLN  15           HN       GLN  15   1.859   1.717  -5.622
  103    HA   GLN  15           HA       GLN  15  -0.296  -0.297  -6.343
  104   1HB   GLN  15           HB2      GLN  15   2.699  -0.689  -5.959
  105   2HB   GLN  15           HB1      GLN  15   1.589  -2.046  -5.702
  106   1HG   GLN  15           HG2      GLN  15   1.729  -0.403  -8.296
  107   2HG   GLN  15           HG1      GLN  15   2.396  -2.017  -8.061
  108   1HE2  GLN  15          HE21      GLN  15  -1.361  -1.824  -9.037
  109   2HE2  GLN  15          HE22      GLN  15  -0.369  -0.428  -9.160
  110    H    LEU  16           HN       LEU  16  -0.453   1.636  -4.547
  111    HA   LEU  16           HA       LEU  16  -0.922   0.266  -2.050
  112   1HB   LEU  16           HB2      LEU  16  -0.247   3.193  -2.726
  113   2HB   LEU  16           HB1      LEU  16  -1.101   2.841  -1.261
  114    HG   LEU  16           HG       LEU  16   1.485   3.156  -1.130
  115   1HD1  LEU  16          HD12      LEU  16   0.059   2.252   0.760
  116   2HD1  LEU  16          HD11      LEU  16   0.204   0.647   0.062
  117   3HD1  LEU  16          HD13      LEU  16   1.621   1.475   0.656
  118   1HD2  LEU  16          HD21      LEU  16   2.047   1.402  -2.911
  119   2HD2  LEU  16          HD23      LEU  16   2.731   1.062  -1.330
  120   3HD2  LEU  16          HD22      LEU  16   1.326   0.198  -1.872
  121    H    GLU  17           HN       GLU  17  -1.879   2.811  -4.289
  122    HA   GLU  17           HA       GLU  17  -4.629   3.100  -3.711
  123   1HB   GLU  17           HB2      GLU  17  -4.732   3.836  -6.143
  124   2HB   GLU  17           HB1      GLU  17  -3.407   4.557  -5.270
  125   1HG   GLU  17           HG2      GLU  17  -1.953   2.516  -6.264
  126   2HG   GLU  17           HG1      GLU  17  -3.284   2.394  -7.402
  127    H    ASN  18           HN       ASN  18  -3.330   1.020  -6.208
  128    HA   ASN  18           HA       ASN  18  -5.491  -0.467  -6.986
  129   1HB   ASN  18           HB2      ASN  18  -3.000  -0.534  -7.750
  130   2HB   ASN  18           HB1      ASN  18  -2.632  -1.521  -6.363
  131   1HD2  ASN  18          HD21      ASN  18  -4.801  -3.988  -8.382
  132   2HD2  ASN  18          HD22      ASN  18  -5.472  -2.950  -7.210
  133    OH   TYR  19           OH       TYR  19  -0.986  -5.256  -6.339
  134    H    TYR  19           HN       TYR  19  -4.190  -0.792  -3.851
  135    HA   TYR  19           HA       TYR  19  -6.046  -3.086  -3.245
  136   1HB   TYR  19           HB2      TYR  19  -3.540  -2.213  -1.696
  137   2HB   TYR  19           HB1      TYR  19  -4.402  -3.736  -1.519
  138    HD1  TYR  19           HD1      TYR  19  -4.772  -4.989  -3.922
  139    HD2  TYR  19           HD2      TYR  19  -1.627  -2.307  -2.972
  140    HE1  TYR  19           HE1      TYR  19  -3.384  -5.955  -5.706
  141    HE2  TYR  19           HE2      TYR  19  -0.257  -3.282  -4.758
  142    HH   TYR  19           HH       TYR  19  -0.668  -4.510  -6.875
  143    H    CYS  20           HN       CYS  20  -5.109   0.055  -2.371
  144    HA   CYS  20           HA       CYS  20  -6.744   0.421   0.039
  145   1HB   CYS  20           HB2      CYS  20  -4.468   1.235  -0.462
  146   2HB   CYS  20           HB1      CYS  20  -5.128   2.264  -1.692
  147    HG   CYS  20           HG1      CYS  20  -5.090   2.836   1.273
  148    H    ASN  21           HN       ASN  21  -6.652   1.667  -2.996
  149    HA   ASN  21           HA       ASN  21  -7.964   2.896  -4.499
  150   1HB   ASN  21           HB2      ASN  21  -9.970   0.794  -3.605
  151   2HB   ASN  21           HB1      ASN  21  -9.932   1.635  -5.147
  152   1HD2  ASN  21          HD21      ASN  21  -7.567  -1.493  -4.710
  153   2HD2  ASN  21          HD22      ASN  21  -8.553  -1.011  -3.396
  154    H    PHE   1           HN       PHE   1   8.477  10.258  -4.773
  155    HA   PHE   1           HA       PHE   1   8.341   9.310  -1.993
  156   1HB   PHE   1           HB2      PHE   1   6.257   8.067  -3.036
  157   2HB   PHE   1           HB1      PHE   1   6.203   9.812  -2.964
  158    HD1  PHE   1           HD1      PHE   1   7.287   7.077  -5.336
  159    HD2  PHE   1           HD2      PHE   1   5.615  10.957  -4.878
  160    HE1  PHE   1           HE1      PHE   1   6.908   7.192  -7.747
  161    HE2  PHE   1           HE2      PHE   1   5.228  11.075  -7.299
  162    HZ   PHE   1           HZ       PHE   1   5.875   9.193  -8.743
  163    H    VAL   2           HN       VAL   2  10.738   8.347  -2.792
  164    HA   VAL   2           HA       VAL   2  10.363   5.605  -3.457
  165    HB   VAL   2           HB       VAL   2  12.802   5.702  -4.144
  166   1HG1  VAL   2          HG12      VAL   2  10.989   6.096  -5.821
  167   2HG1  VAL   2          HG11      VAL   2  10.982   7.802  -5.426
  168   3HG1  VAL   2          HG13      VAL   2  12.392   7.087  -6.181
  169   1HG2  VAL   2          HG21      VAL   2  13.449   7.673  -2.673
  170   2HG2  VAL   2          HG23      VAL   2  13.845   7.954  -4.357
  171   3HG2  VAL   2          HG22      VAL   2  12.440   8.718  -3.657
  172    H    ASN   3           HN       ASN   3  11.878   4.363  -2.731
  173    HA   ASN   3           HA       ASN   3  13.603   3.489  -1.072
  174   1HB   ASN   3           HB2      ASN   3  13.143   3.815   1.355
  175   2HB   ASN   3           HB1      ASN   3  12.960   5.408   0.658
  176   1HD2  ASN   3          HD21      ASN   3   9.640   5.540   1.767
  177   2HD2  ASN   3          HD22      ASN   3  10.976   6.397   1.128
  178    H    GLN   4           HN       GLN   4  10.349   3.606  -1.194
  179    HA   GLN   4           HA       GLN   4   8.504   2.133  -0.868
  180   1HB   GLN   4           HB2      GLN   4  10.296   0.852  -2.818
  181   2HB   GLN   4           HB1      GLN   4   8.565   0.544  -2.673
  182   1HG   GLN   4           HG2      GLN   4   8.184   2.290  -4.117
  183   2HG   GLN   4           HG1      GLN   4   8.815   3.387  -2.901
  184   1HE2  GLN   4          HE21      GLN   4  10.767   3.092  -6.249
  185   2HE2  GLN   4          HE22      GLN   4   9.129   2.657  -6.041
  186    H    HIS   5           HN       HIS   5  10.224   1.373   1.188
  187    HA   HIS   5           HA       HIS   5   9.635  -1.592   1.413
  188   1HB   HIS   5           HB2      HIS   5  12.051  -0.033   2.190
  189   2HB   HIS   5           HB1      HIS   5  11.643  -1.457   3.145
  190    HD1  HIS   5           HD1      HIS   5  12.248  -0.492  -0.355
  191    HD2  HIS   5           HD2      HIS   5  12.053  -3.889   1.849
  192    HE1  HIS   5           HE1      HIS   5  12.982  -2.382  -1.876
  193    H    LEU   6           HN       LEU   6   7.561  -0.630   2.163
  194    HA   LEU   6           HA       LEU   6   7.347  -0.233   5.126
  195   1HB   LEU   6           HB2      LEU   6   5.063   0.829   4.413
  196   2HB   LEU   6           HB1      LEU   6   6.524   1.739   4.107
  197    HG   LEU   6           HG       LEU   6   5.423  -0.041   1.897
  198   1HD1  LEU   6          HD11      LEU   6   4.616   2.847   2.553
  199   2HD1  LEU   6          HD13      LEU   6   4.122   1.952   1.121
  200   3HD1  LEU   6          HD12      LEU   6   3.557   1.467   2.699
  201   1HD2  LEU   6          HD21      LEU   6   7.667   1.199   1.645
  202   2HD2  LEU   6          HD23      LEU   6   6.463   1.747   0.507
  203   3HD2  LEU   6          HD22      LEU   6   6.830   2.696   1.940
  204    H    CYS   7           HN       CYS   7   6.343  -1.966   6.185
  205    HA   CYS   7           HA       CYS   7   4.947  -4.016   4.476
  206   1HB   CYS   7           HB2      CYS   7   7.155  -4.405   5.725
  207   2HB   CYS   7           HB1      CYS   7   6.180  -4.589   7.155
  208    HG   CYS   7           HG1      CYS   7   5.335  -6.809   6.314
  209    H    GLY   8           HN       GLY   8   4.402  -3.367   7.986
  210   1HA   GLY   8           HA2      GLY   8   1.551  -4.267   7.431
  211   2HA   GLY   8           HA1      GLY   8   2.336  -4.341   9.020
  212    H    ASP   9           HN       ASP   9   2.362  -2.641  10.266
  213    HA   ASP   9           HA       ASP   9   0.364  -0.675  10.159
  214   1HB   ASP   9           HB2      ASP   9   2.090   0.271  12.008
  215   2HB   ASP   9           HB1      ASP   9   1.548  -1.376  12.261
  216    H    HIS  10           HN       HIS  10   3.721  -0.220   9.685
  217    HA   HIS  10           HA       HIS  10   3.995   2.283   8.555
  218   1HB   HIS  10           HB2      HIS  10   5.668   0.522   9.267
  219   2HB   HIS  10           HB1      HIS  10   5.461  -0.226   7.689
  220    HD1  HIS  10           HD1      HIS  10   5.592   2.406   6.023
  221    HD2  HIS  10           HD2      HIS  10   8.208   1.480   9.003
  222    HE1  HIS  10           HE1      HIS  10   7.675   3.711   5.578
  223    H    LEU  11           HN       LEU  11   2.513  -0.313   7.037
  224    HA   LEU  11           HA       LEU  11   2.604   0.891   4.308
  225   1HB   LEU  11           HB2      LEU  11   3.145  -1.487   4.481
  226   2HB   LEU  11           HB1      LEU  11   1.701  -1.823   5.403
  227    HG   LEU  11           HG       LEU  11   0.279  -1.378   3.485
  228   1HD1  LEU  11          HD11      LEU  11   2.898  -0.644   2.083
  229   2HD1  LEU  11          HD13      LEU  11   1.338  -0.764   1.298
  230   3HD1  LEU  11          HD12      LEU  11   1.615   0.486   2.487
  231   1HD2  LEU  11          HD22      LEU  11   2.783  -2.944   2.759
  232   2HD2  LEU  11          HD21      LEU  11   1.422  -3.580   3.669
  233   3HD2  LEU  11          HD23      LEU  11   1.226  -3.137   1.985
  234    H    VAL  12           HN       VAL  12   0.184  -0.414   6.567
  235    HA   VAL  12           HA       VAL  12  -2.105   0.725   5.278
  236    HB   VAL  12           HB       VAL  12  -2.300  -0.857   7.089
  237   1HG1  VAL  12          HG11      VAL  12  -1.293   1.423   8.871
  238   2HG1  VAL  12          HG13      VAL  12  -1.981  -0.069   9.467
  239   3HG1  VAL  12          HG12      VAL  12  -0.536  -0.114   8.494
  240   1HG2  VAL  12          HG21      VAL  12  -4.177   0.802   6.602
  241   2HG2  VAL  12          HG23      VAL  12  -4.142   0.421   8.326
  242   3HG2  VAL  12          HG22      VAL  12  -3.448   1.913   7.742
  243    H    GLU  13           HN       GLU  13   0.079   2.245   7.601
  244    HA   GLU  13           HA       GLU  13  -1.137   4.685   8.134
  245   1HB   GLU  13           HB2      GLU  13   1.810   4.178   7.523
  246   2HB   GLU  13           HB1      GLU  13   1.176   5.620   8.304
  247   1HG   GLU  13           HG2      GLU  13   1.016   2.785   9.498
  248   2HG   GLU  13           HG1      GLU  13   2.001   4.091  10.070
  249    H    ALA  14           HN       ALA  14  -0.049   3.571   5.079
  250    HA   ALA  14           HA       ALA  14  -0.168   6.227   3.845
  251   1HB   ALA  14           HB2      ALA  14   1.782   4.538   3.330
  252   2HB   ALA  14           HB1      ALA  14   0.593   3.390   2.781
  253   3HB   ALA  14           HB3      ALA  14   0.872   4.850   1.858
  254    H    LEU  15           HN       LEU  15  -1.577   3.123   3.670
  255    HA   LEU  15           HA       LEU  15  -3.534   3.670   1.732
  256   1HB   LEU  15           HB2      LEU  15  -3.504   1.816   4.157
  257   2HB   LEU  15           HB1      LEU  15  -4.855   1.847   3.040
  258    HG   LEU  15           HG       LEU  15  -2.870   1.744   1.232
  259   1HD1  LEU  15          HD12      LEU  15  -1.054   1.711   2.718
  260   2HD1  LEU  15          HD11      LEU  15  -1.622   0.221   3.463
  261   3HD1  LEU  15          HD13      LEU  15  -1.146   0.258   1.791
  262   1HD2  LEU  15          HD21      LEU  15  -4.794   0.093   1.544
  263   2HD2  LEU  15          HD23      LEU  15  -3.297  -0.737   1.167
  264   3HD2  LEU  15          HD22      LEU  15  -3.879  -0.683   2.825
  265    OH   TYR  16           OH       TYR  16  -3.632   2.704  10.773
  266    H    TYR  16           HN       TYR  16  -3.784   4.367   5.168
  267    HA   TYR  16           HA       TYR  16  -6.456   5.226   5.435
  268   1HB   TYR  16           HB2      TYR  16  -4.091   6.874   6.417
  269   2HB   TYR  16           HB1      TYR  16  -5.725   7.007   7.018
  270    HD1  TYR  16           HD1      TYR  16  -6.329   3.971   7.357
  271    HD2  TYR  16           HD2      TYR  16  -2.961   6.400   8.320
  272    HE1  TYR  16           HE1      TYR  16  -5.684   2.432   9.206
  273    HE2  TYR  16           HE2      TYR  16  -2.388   4.887  10.116
  274    HH   TYR  16           HH       TYR  16  -2.673   2.871  10.870
  275    H    LEU  17           HN       LEU  17  -3.961   6.852   3.833
  276    HA   LEU  17           HA       LEU  17  -5.627   9.176   3.002
  277   1HB   LEU  17           HB2      LEU  17  -3.406   9.459   4.079
  278   2HB   LEU  17           HB1      LEU  17  -2.643   8.484   2.856
  279    HG   LEU  17           HG       LEU  17  -4.045  11.106   2.169
  280   1HD1  LEU  17          HD11      LEU  17  -1.117  10.486   2.839
  281   2HD1  LEU  17          HD13      LEU  17  -1.718  12.045   2.298
  282   3HD1  LEU  17          HD12      LEU  17  -2.199  11.411   3.858
  283   1HD2  LEU  17          HD22      LEU  17  -1.835   9.451   0.825
  284   2HD2  LEU  17          HD21      LEU  17  -3.492   9.523   0.254
  285   3HD2  LEU  17          HD23      LEU  17  -2.500  10.952   0.210
  286    H    VAL  18           HN       VAL  18  -3.394   6.868   1.425
  287    HA   VAL  18           HA       VAL  18  -4.141   7.425  -1.241
  288    HB   VAL  18           HB       VAL  18  -3.447   4.689  -0.066
  289   1HG1  VAL  18          HG12      VAL  18  -4.359   4.643  -2.415
  290   2HG1  VAL  18          HG11      VAL  18  -3.175   5.831  -2.900
  291   3HG1  VAL  18          HG13      VAL  18  -2.651   4.238  -2.404
  292   1HG2  VAL  18          HG22      VAL  18  -1.700   6.875  -1.310
  293   2HG2  VAL  18          HG21      VAL  18  -1.733   6.498   0.400
  294   3HG2  VAL  18          HG23      VAL  18  -1.118   5.320  -0.740
  295    H    CYS  19           HN       CYS  19  -6.060   5.345   0.969
  296    HA   CYS  19           HA       CYS  19  -7.855   4.541  -1.186
  297   1HB   CYS  19           HB2      CYS  19  -8.531   4.400   1.752
  298   2HB   CYS  19           HB1      CYS  19  -9.078   3.397   0.420
  299    HG   CYS  19           HG1      CYS  19  -6.816   2.791   2.283
  300    H    GLY  20           HN       GLY  20  -7.610   7.512  -0.541
  301   1HA   GLY  20           HA2      GLY  20 -10.332   8.248   0.399
  302   2HA   GLY  20           HA1      GLY  20  -9.091   9.378  -0.152
  303    H    GLU  21           HN       GLU  21 -10.457   6.688  -1.555
  304    HA   GLU  21           HA       GLU  21 -11.830   8.070  -3.814
  305   1HB   GLU  21           HB2      GLU  21  -9.682   7.280  -4.620
  306   2HB   GLU  21           HB1      GLU  21  -9.823   5.801  -3.734
  307   1HG   GLU  21           HG2      GLU  21 -12.105   5.832  -5.511
  308   2HG   GLU  21           HG1      GLU  21 -10.725   6.368  -6.448
  309    NH1  ARG  22           NH1      ARG  22 -14.283   1.382   1.088
  310    NH2  ARG  22           NH2      ARG  22 -13.443  -0.545   1.647
  311    H    ARG  22           HN       ARG  22 -11.272   4.982  -2.384
  312    HA   ARG  22           HA       ARG  22 -14.072   4.346  -2.339
  313   1HB   ARG  22           HB2      ARG  22 -12.854   2.869  -3.858
  314   2HB   ARG  22           HB1      ARG  22 -11.673   2.518  -2.637
  315   1HG   ARG  22           HG2      ARG  22 -14.487   1.856  -1.881
  316   2HG   ARG  22           HG1      ARG  22 -13.769   0.897  -3.149
  317   1HD   ARG  22           HD2      ARG  22 -11.984   0.153  -1.808
  318   2HD   ARG  22           HD1      ARG  22 -12.076   1.473  -0.693
  319    HE   ARG  22           HE       ARG  22 -14.164  -0.742  -0.825
  320   1HH1  ARG  22          HH12      ARG  22 -14.561   1.984   0.347
  321   2HH1  ARG  22          HH11      ARG  22 -14.383   1.656   2.032
  322   1HH2  ARG  22          HH22      ARG  22 -13.075  -1.414   1.342
  323   2HH2  ARG  22          HH21      ARG  22 -13.518  -0.325   2.609
  324    H    GLY  23           HN       GLY  23 -11.268   3.637  -0.710
  325   1HA   GLY  23           HA2      GLY  23 -10.971   3.961   1.771
  326   2HA   GLY  23           HA1      GLY  23 -12.654   3.601   1.978
  327    H    PHE  24           HN       PHE  24  -9.992   1.810   0.510
  328    HA   PHE  24           HA       PHE  24  -8.827  -0.048   1.176
  329   1HB   PHE  24           HB2      PHE  24 -10.706  -0.118   3.559
  330   2HB   PHE  24           HB1      PHE  24  -9.487  -1.313   3.296
  331    HD1  PHE  24           HD1      PHE  24  -9.899   2.413   3.651
  332    HD2  PHE  24           HD2      PHE  24  -7.327  -0.951   3.806
  333    HE1  PHE  24           HE1      PHE  24  -8.158   3.808   4.665
  334    HE2  PHE  24           HE2      PHE  24  -5.567   0.430   4.834
  335    HZ   PHE  24           HZ       PHE  24  -5.979   2.816   5.264
  336    H    PHE  25           HN       PHE  25  -8.777  -1.656  -0.247
  337    HA   PHE  25           HA       PHE  25 -10.914  -3.765  -0.137
  338   1HB   PHE  25           HB2      PHE  25  -9.218  -2.704  -2.451
  339   2HB   PHE  25           HB1      PHE  25  -9.937  -4.294  -2.551
  340    HD1  PHE  25           HD1      PHE  25 -12.606  -3.913  -1.321
  341    HD2  PHE  25           HD2      PHE  25 -10.442  -1.377  -3.960
  342    HE1  PHE  25           HE1      PHE  25 -14.710  -2.961  -2.130
  343    HE2  PHE  25           HE2      PHE  25 -12.530  -0.418  -4.763
  344    HZ   PHE  25           HZ       PHE  25 -14.682  -1.205  -3.858
  345    OH   TYR  26           OH       TYR  26  -2.146  -6.551   5.225
  346    H    TYR  26           HN       TYR  26  -7.760  -3.048   0.317
  347    HA   TYR  26           HA       TYR  26  -5.724  -4.462   0.208
  348   1HB   TYR  26           HB2      TYR  26  -6.120  -3.077   2.147
  349   2HB   TYR  26           HB1      TYR  26  -7.240  -4.237   2.819
  350    HD1  TYR  26           HD1      TYR  26  -3.633  -4.084   1.730
  351    HD2  TYR  26           HD2      TYR  26  -6.484  -5.610   4.492
  352    HE1  TYR  26           HE1      TYR  26  -1.823  -5.151   3.059
  353    HE2  TYR  26           HE2      TYR  26  -4.644  -6.656   5.783
  354    HH   TYR  26           HH       TYR  26  -1.406  -5.940   5.272
  355    H    THR  27           HN       THR  27  -4.782  -6.429  -0.026
  356    HA   THR  27           HA       THR  27  -5.783  -8.797  -0.638
  357    HB   THR  27           HB       THR  27  -3.360  -8.400  -0.429
  358    HG1  THR  27           HG1      THR  27  -3.267 -10.706   0.570
  359   1HG2  THR  27          HG22      THR  27  -3.258  -7.823   2.125
  360   2HG2  THR  27          HG21      THR  27  -3.594  -9.514   2.420
  361   3HG2  THR  27          HG23      THR  27  -2.164  -9.067   1.546
  362    HA   PRO  28           HA       PRO  28  -4.806 -11.268   3.425
  363   1HB   PRO  28           HB2      PRO  28  -7.838 -11.336   3.163
  364   2HB   PRO  28           HB1      PRO  28  -6.838 -12.231   4.318
  365   1HG   PRO  28           HG2      PRO  28  -7.769  -9.875   5.152
  366   2HG   PRO  28           HG1      PRO  28  -6.042 -10.163   5.372
  367   1HD   PRO  28           HD1      PRO  28  -7.405  -8.425   3.305
  368   2HD   PRO  28           HD2      PRO  28  -5.836  -8.197   4.092
  369    H    LYS  29           HN       LYS  29  -7.135 -11.359   1.042
  370    HA   LYS  29           HA       LYS  29  -7.296 -13.649  -0.283
  371   1HB   LYS  29           HB2      LYS  29  -6.600 -10.966  -1.502
  372   2HB   LYS  29           HB1      LYS  29  -6.692 -12.327  -2.579
  373   1HG   LYS  29           HG2      LYS  29  -8.904 -11.564  -2.790
  374   2HG   LYS  29           HG1      LYS  29  -9.079 -12.772  -1.554
  375   1HD   LYS  29           HD2      LYS  29 -10.372 -10.813  -0.867
  376   2HD   LYS  29           HD1      LYS  29  -9.023 -10.994   0.227
  377   1HE   LYS  29           HE2      LYS  29  -7.775  -9.252  -1.209
  378   2HE   LYS  29           HE1      LYS  29  -9.275  -9.021  -2.085
  379   1HZ   LYS  29           HZ1      LYS  29  -9.959  -8.896   0.637
  380   2HZ   LYS  29           HZ3      LYS  29  -8.538  -8.081   0.521
  381   3HZ   LYS  29           HZ2      LYS  29  -9.786  -7.516  -0.365
  382    H    THR  30           HN       THR  30  -4.409 -12.012  -0.529
  383    HA   THR  30           HA       THR  30  -2.860 -14.472  -1.333
  384    HB   THR  30           HB       THR  30  -2.902 -13.008  -3.345
  385    HG1  THR  30           HG1      THR  30  -0.408 -12.366  -2.547
  386   1HG2  THR  30          HG21      THR  30  -1.435 -10.961  -1.572
  387   2HG2  THR  30          HG23      THR  30  -1.795 -10.813  -3.283
  388   3HG2  THR  30          HG22      THR  30  -3.094 -10.740  -2.098
   
  Start of MODEL          11
 Raw file had  388 H/Q atoms
  Start of MODEL   11
    1    H    GLY   1           HN       GLY   1   0.522  -9.213  -4.419
    2   1HA   GLY   1           HA2      GLY   1  -0.736  -7.155  -5.488
    3   2HA   GLY   1           HA1      GLY   1  -2.094  -7.733  -4.522
    4    H    ILE   2           HN       ILE   2  -0.426  -5.295  -4.441
    5    HA   ILE   2           HA       ILE   2   0.732  -3.885  -2.952
    6    HB   ILE   2           HB       ILE   2  -1.656  -3.818  -2.158
    7   1HG1  ILE   2          HG12      ILE   2   0.639  -3.404  -0.183
    8   2HG1  ILE   2          HG11      ILE   2  -0.121  -2.222  -1.206
    9   1HG2  ILE   2          HG22      ILE   2  -1.973  -6.127  -1.204
   10   2HG2  ILE   2          HG21      ILE   2  -1.007  -5.604   0.191
   11   3HG2  ILE   2          HG23      ILE   2  -2.492  -4.811  -0.185
   12   1HD1  ILE   2           HD2      ILE   2  -2.214  -2.403   0.161
   13   2HD1  ILE   2           HD1      ILE   2  -1.417  -3.562   1.214
   14   3HD1  ILE   2           HD3      ILE   2  -0.821  -1.930   1.128
   15    H    VAL   3           HN       VAL   3   0.113  -6.456  -0.717
   16    HA   VAL   3           HA       VAL   3   2.066  -6.212   1.145
   17    HB   VAL   3           HB       VAL   3   1.461  -8.979  -0.012
   18   1HG1  VAL   3          HG12      VAL   3   2.835  -8.759   2.065
   19   2HG1  VAL   3          HG11      VAL   3   1.524  -7.845   2.809
   20   3HG1  VAL   3          HG13      VAL   3   1.285  -9.527   2.386
   21   1HG2  VAL   3          HG22      VAL   3  -0.498  -7.227   1.626
   22   2HG2  VAL   3          HG21      VAL   3  -0.800  -7.759  -0.016
   23   3HG2  VAL   3          HG23      VAL   3  -0.750  -8.912   1.275
   24    H    GLU   4           HN       GLU   4   2.902  -8.506  -1.497
   25    HA   GLU   4           HA       GLU   4   5.659  -8.591  -0.914
   26   1HB   GLU   4           HB2      GLU   4   4.526  -8.742  -3.759
   27   2HB   GLU   4           HB1      GLU   4   5.958  -9.534  -3.144
   28   1HG   GLU   4           HG2      GLU   4   4.384 -11.308  -3.183
   29   2HG   GLU   4           HG1      GLU   4   4.262 -10.790  -1.524
   30    H    GLN   5           HN       GLN   5   4.197  -6.679  -3.435
   31    HA   GLN   5           HA       GLN   5   6.496  -5.204  -4.248
   32   1HB   GLN   5           HB2      GLN   5   4.203  -5.451  -5.392
   33   2HB   GLN   5           HB1      GLN   5   3.641  -4.161  -4.343
   34   1HG   GLN   5           HG2      GLN   5   4.397  -2.995  -6.380
   35   2HG   GLN   5           HG1      GLN   5   5.735  -2.797  -5.269
   36   1HE2  GLN   5          HE21      GLN   5   6.664  -4.218  -8.684
   37   2HE2  GLN   5          HE22      GLN   5   5.348  -3.178  -8.347
   38    H    CYS   6           HN       CYS   6   4.332  -4.410  -1.631
   39    HA   CYS   6           HA       CYS   6   5.629  -1.799  -1.015
   40   1HB   CYS   6           HB2      CYS   6   3.385  -3.268   0.348
   41   2HB   CYS   6           HB1      CYS   6   3.807  -1.581   0.502
   42    HG   CYS   6           HG1      CYS   6   2.220  -2.806  -1.819
   43    H    CYS   7           HN       CYS   7   5.414  -4.946   0.477
   44    HA   CYS   7           HA       CYS   7   7.188  -3.996   2.671
   45   1HB   CYS   7           HB2      CYS   7   5.009  -4.640   3.201
   46   2HB   CYS   7           HB1      CYS   7   5.094  -6.116   2.328
   47    HG   CYS   7           HG1      CYS   7   6.433  -7.233   4.203
   48    H    THR   8           HN       THR   8   7.664  -5.467  -0.141
   49    HA   THR   8           HA       THR   8  10.080  -6.986   0.817
   50    HB   THR   8           HB       THR   8   8.171  -8.178  -1.290
   51    HG1  THR   8           HG1      THR   8   8.336  -8.130   1.466
   52   1HG2  THR   8          HG21      THR   8  10.391  -9.356   0.446
   53   2HG2  THR   8          HG23      THR   8   9.486 -10.172  -0.814
   54   3HG2  THR   8          HG22      THR   8  10.668  -8.935  -1.238
   55    H    SER   9           HN       SER   9   8.472  -5.823  -1.970
   56    HA   SER   9           HA       SER   9  11.045  -5.172  -3.409
   57   1HB   SER   9           HB2      SER   9   9.786  -6.910  -4.555
   58   2HB   SER   9           HB1      SER   9   8.280  -6.014  -4.430
   59    HG   SER   9           HG1      SER   9   8.828  -5.108  -6.210
   60    H    ILE  10           HN       ILE  10   9.454  -3.448  -5.332
   61    HA   ILE  10           HA       ILE  10   8.956  -1.177  -3.457
   62    HB   ILE  10           HB       ILE  10  10.344  -0.884  -6.133
   63   1HG1  ILE  10          HG12      ILE  10  11.419  -0.464  -3.277
   64   2HG1  ILE  10          HG11      ILE  10  11.619  -1.987  -4.097
   65   1HG2  ILE  10          HG21      ILE  10   9.777   1.106  -3.821
   66   2HG2  ILE  10          HG23      ILE  10  10.702   1.497  -5.268
   67   3HG2  ILE  10          HG22      ILE  10   8.995   1.181  -5.385
   68   1HD1  ILE  10           HD2      ILE  10  12.841  -0.846  -5.968
   69   2HD1  ILE  10           HD1      ILE  10  12.683   0.699  -5.154
   70   3HD1  ILE  10           HD3      ILE  10  13.642  -0.579  -4.433
   71    H    CYS  11           HN       CYS  11   6.832  -1.102  -3.375
   72    HA   CYS  11           HA       CYS  11   5.190  -0.618  -5.800
   73   1HB   CYS  11           HB2      CYS  11   3.341  -1.280  -4.461
   74   2HB   CYS  11           HB1      CYS  11   4.644  -2.115  -3.735
   75    HG   CYS  11           HG1      CYS  11   3.116   0.130  -2.392
   76    H    SER  12           HN       SER  12   6.582   1.443  -5.852
   77    HA   SER  12           HA       SER  12   6.324   3.632  -4.316
   78   1HB   SER  12           HB2      SER  12   6.898   4.845  -6.607
   79   2HB   SER  12           HB1      SER  12   7.915   3.494  -6.078
   80    HG   SER  12           HG1      SER  12   6.569   3.611  -8.251
   81    H    LEU  13           HN       LEU  13   4.179   3.589  -3.801
   82    HA   LEU  13           HA       LEU  13   2.489   5.017  -2.889
   83   1HB   LEU  13           HB2      LEU  13   3.766   7.051  -3.318
   84   2HB   LEU  13           HB1      LEU  13   3.645   6.922  -5.055
   85    HG   LEU  13           HG       LEU  13   1.152   7.319  -4.842
   86   1HD1  LEU  13          HD11      LEU  13   2.035   8.034  -2.013
   87   2HD1  LEU  13          HD13      LEU  13   0.441   8.307  -2.710
   88   3HD1  LEU  13          HD12      LEU  13   1.006   6.670  -2.440
   89   1HD2  LEU  13          HD22      LEU  13   3.115   9.394  -3.777
   90   2HD2  LEU  13          HD21      LEU  13   2.827   9.032  -5.470
   91   3HD2  LEU  13          HD23      LEU  13   1.547   9.728  -4.499
   92    OH   TYR  14           OH       TYR  14   6.624   4.941  -9.537
   93    H    TYR  14           HN       TYR  14   2.858   4.951  -6.128
   94    HA   TYR  14           HA       TYR  14  -0.117   4.881  -6.566
   95   1HB   TYR  14           HB2      TYR  14   0.615   4.229  -9.036
   96   2HB   TYR  14           HB1      TYR  14   0.733   5.860  -8.478
   97    HD1  TYR  14           HD1      TYR  14   2.656   2.840  -9.257
   98    HD2  TYR  14           HD2      TYR  14   2.800   6.918  -8.142
   99    HE1  TYR  14           HE1      TYR  14   5.084   2.911  -9.759
  100    HE2  TYR  14           HE2      TYR  14   5.201   7.000  -8.642
  101    HH   TYR  14           HH       TYR  14   6.707   5.516 -10.306
  102    H    GLN  15           HN       GLN  15   2.531   2.655  -5.911
  103    HA   GLN  15           HA       GLN  15   0.524   0.516  -6.670
  104   1HB   GLN  15           HB2      GLN  15   3.330   0.291  -5.702
  105   2HB   GLN  15           HB1      GLN  15   2.504  -1.027  -6.494
  106   1HG   GLN  15           HG2      GLN  15   2.604   0.355  -8.672
  107   2HG   GLN  15           HG1      GLN  15   3.558   1.561  -7.809
  108   1HE2  GLN  15          HE21      GLN  15   6.476  -0.294  -8.246
  109   2HE2  GLN  15          HE22      GLN  15   5.846   1.244  -7.926
  110    H    LEU  16           HN       LEU  16   0.216   2.227  -4.642
  111    HA   LEU  16           HA       LEU  16  -0.347   0.460  -2.443
  112   1HB   LEU  16           HB2      LEU  16   0.530   3.452  -2.303
  113   2HB   LEU  16           HB1      LEU  16  -0.260   2.690  -0.967
  114    HG   LEU  16           HG       LEU  16   2.396   1.749  -2.161
  115   1HD1  LEU  16          HD12      LEU  16   2.549   3.872  -0.828
  116   2HD1  LEU  16          HD11      LEU  16   1.721   3.071   0.503
  117   3HD1  LEU  16          HD13      LEU  16   3.311   2.528   0.001
  118   1HD2  LEU  16          HD22      LEU  16   0.857   0.838   0.355
  119   2HD2  LEU  16          HD21      LEU  16   1.044  -0.123  -1.095
  120   3HD2  LEU  16          HD23      LEU  16   2.437   0.268  -0.130
  121    H    GLU  17           HN       GLU  17  -1.055   3.455  -4.120
  122    HA   GLU  17           HA       GLU  17  -3.817   3.779  -3.277
  123   1HB   GLU  17           HB2      GLU  17  -4.120   5.203  -5.244
  124   2HB   GLU  17           HB1      GLU  17  -2.470   5.447  -4.745
  125   1HG   GLU  17           HG2      GLU  17  -1.794   3.700  -6.406
  126   2HG   GLU  17           HG1      GLU  17  -3.414   3.687  -7.048
  127    H    ASN  18           HN       ASN  18  -2.459   1.953  -5.947
  128    HA   ASN  18           HA       ASN  18  -4.610   0.767  -7.183
  129   1HB   ASN  18           HB2      ASN  18  -2.221   0.394  -7.825
  130   2HB   ASN  18           HB1      ASN  18  -1.891  -0.414  -6.315
  131   1HD2  ASN  18          HD21      ASN  18  -4.130  -2.918  -8.397
  132   2HD2  ASN  18          HD22      ASN  18  -4.870  -1.555  -7.695
  133    OH   TYR  19           OH       TYR  19  -0.802  -4.405  -6.674
  134    H    TYR  19           HN       TYR  19  -3.605   0.036  -3.991
  135    HA   TYR  19           HA       TYR  19  -5.696  -2.076  -3.677
  136   1HB   TYR  19           HB2      TYR  19  -3.229  -1.553  -1.887
  137   2HB   TYR  19           HB1      TYR  19  -4.230  -2.993  -1.892
  138    HD1  TYR  19           HD1      TYR  19  -4.499  -4.239  -4.133
  139    HD2  TYR  19           HD2      TYR  19  -1.399  -1.419  -3.362
  140    HE1  TYR  19           HE1      TYR  19  -3.155  -5.193  -5.943
  141    HE2  TYR  19           HE2      TYR  19  -0.078  -2.398  -5.182
  142    HH   TYR  19           HH       TYR  19  -0.998  -3.789  -7.400
  143    H    CYS  20           HN       CYS  20  -4.681   0.939  -2.718
  144    HA   CYS  20           HA       CYS  20  -6.528   1.403  -0.412
  145   1HB   CYS  20           HB2      CYS  20  -4.461   1.946   0.088
  146   2HB   CYS  20           HB1      CYS  20  -4.025   2.516  -1.505
  147    HG   CYS  20           HG1      CYS  20  -4.999   4.758  -0.930
  148    H    ASN  21           HN       ASN  21  -7.863   1.133  -2.857
  149    HA   ASN  21           HA       ASN  21  -8.881   3.931  -3.294
  150   1HB   ASN  21           HB2      ASN  21  -9.228   3.286  -5.678
  151   2HB   ASN  21           HB1      ASN  21  -7.541   3.154  -5.192
  152   1HD2  ASN  21          HD21      ASN  21  -7.455  -0.299  -5.643
  153   2HD2  ASN  21          HD22      ASN  21  -6.634   1.104  -5.118
  154    H    PHE   1           HN       PHE   1   8.579   5.026  -9.524
  155    HA   PHE   1           HA       PHE   1  10.323   7.342  -8.881
  156   1HB   PHE   1           HB2      PHE   1   8.009   7.887  -9.755
  157   2HB   PHE   1           HB1      PHE   1   7.328   6.957  -8.436
  158    HD1  PHE   1           HD2      PHE   1   9.212  10.014  -9.266
  159    HD2  PHE   1           HD1      PHE   1   7.149   7.879  -6.229
  160    HE1  PHE   1           HE2      PHE   1   9.250  12.017  -7.840
  161    HE2  PHE   1           HE1      PHE   1   7.185   9.895  -4.791
  162    HZ   PHE   1           HZ       PHE   1   8.234  11.954  -5.603
  163    H    VAL   2           HN       VAL   2   9.694   7.953  -6.336
  164    HA   VAL   2           HA       VAL   2  10.604   5.673  -4.906
  165    HB   VAL   2           HB       VAL   2  11.215   7.373  -3.145
  166   1HG1  VAL   2          HG12      VAL   2  12.770   6.975  -5.041
  167   2HG1  VAL   2          HG11      VAL   2  11.964   8.213  -5.982
  168   3HG1  VAL   2          HG13      VAL   2  12.824   8.647  -4.522
  169   1HG2  VAL   2          HG21      VAL   2   9.260   8.970  -3.570
  170   2HG2  VAL   2          HG23      VAL   2  10.816   9.774  -3.619
  171   3HG2  VAL   2          HG22      VAL   2   9.997   9.390  -5.108
  172    H    ASN   3           HN       ASN   3   9.760   6.581  -2.505
  173    HA   ASN   3           HA       ASN   3   7.932   6.829  -0.893
  174   1HB   ASN   3           HB2      ASN   3   6.122   5.510  -3.008
  175   2HB   ASN   3           HB1      ASN   3   5.640   6.177  -1.468
  176   1HD2  ASN   3          HD21      ASN   3   5.742   8.673  -4.478
  177   2HD2  ASN   3          HD22      ASN   3   5.871   6.986  -4.724
  178    H    GLN   4           HN       GLN   4   9.832   5.112  -0.788
  179    HA   GLN   4           HA       GLN   4   9.315   2.335  -0.810
  180   1HB   GLN   4           HB2      GLN   4  11.263   4.061   0.703
  181   2HB   GLN   4           HB1      GLN   4  11.272   2.309   0.766
  182   1HG   GLN   4           HG2      GLN   4  12.863   3.366  -1.038
  183   2HG   GLN   4           HG1      GLN   4  11.839   2.051  -1.560
  184   1HE2  GLN   4          HE21      GLN   4  10.702   3.950  -4.206
  185   2HE2  GLN   4          HE22      GLN   4  11.162   2.442  -3.584
  186    H    HIS   5           HN       HIS   5   7.504   2.015  -0.072
  187    HA   HIS   5           HA       HIS   5   5.952   2.247   2.053
  188   1HB   HIS   5           HB2      HIS   5   5.417  -0.362   1.123
  189   2HB   HIS   5           HB1      HIS   5   4.830   1.098   0.311
  190    HD1  HIS   5           HD1      HIS   5   7.867  -0.914   0.512
  191    HD2  HIS   5           HD2      HIS   5   5.969   1.468  -2.176
  192    HE1  HIS   5           HE1      HIS   5   9.274  -0.945  -1.532
  193    H    LEU   6           HN       LEU   6   5.295   0.645   3.234
  194    HA   LEU   6           HA       LEU   6   7.358  -0.583   5.060
  195   1HB   LEU   6           HB2      LEU   6   4.626   0.323   6.006
  196   2HB   LEU   6           HB1      LEU   6   6.068   0.002   6.952
  197    HG   LEU   6           HG       LEU   6   5.765   2.308   7.038
  198   1HD1  LEU   6          HD12      LEU   6   8.127   1.709   6.662
  199   2HD1  LEU   6          HD11      LEU   6   7.912   1.814   4.931
  200   3HD1  LEU   6          HD13      LEU   6   7.766   3.246   5.903
  201   1HD2  LEU   6          HD21      LEU   6   4.209   2.656   5.218
  202   2HD2  LEU   6          HD23      LEU   6   5.532   3.805   5.131
  203   3HD2  LEU   6          HD22      LEU   6   5.479   2.468   4.028
  204    H    CYS   7           HN       CYS   7   6.110  -2.107   6.772
  205    HA   CYS   7           HA       CYS   7   4.942  -4.301   5.112
  206   1HB   CYS   7           HB2      CYS   7   7.120  -4.500   6.479
  207   2HB   CYS   7           HB1      CYS   7   6.102  -4.563   7.898
  208    HG   CYS   7           HG1      CYS   7   6.846  -6.911   6.337
  209    H    GLY   8           HN       GLY   8   3.469  -5.775   6.179
  210   1HA   GLY   8           HA2      GLY   8   1.026  -5.751   6.516
  211   2HA   GLY   8           HA1      GLY   8   1.752  -5.996   8.094
  212    H    ASP   9           HN       ASP   9   1.625  -4.523   9.570
  213    HA   ASP   9           HA       ASP   9  -0.723  -2.864   9.593
  214   1HB   ASP   9           HB2      ASP   9   1.718  -2.874  11.512
  215   2HB   ASP   9           HB1      ASP   9   0.041  -2.543  11.925
  216    H    HIS  10           HN       HIS  10   2.670  -2.003   9.611
  217    HA   HIS  10           HA       HIS  10   2.366   0.845   9.298
  218   1HB   HIS  10           HB2      HIS  10   4.557  -0.989   8.262
  219   2HB   HIS  10           HB1      HIS  10   4.706   0.771   8.459
  220    HD1  HIS  10           HD1      HIS  10   6.666  -0.334  10.078
  221    HD2  HIS  10           HD2      HIS  10   2.858  -0.445  11.510
  222    HE1  HIS  10           HE1      HIS  10   6.843  -0.661  12.549
  223    H    LEU  11           HN       LEU  11   2.114  -1.663   7.052
  224    HA   LEU  11           HA       LEU  11   2.127  -0.108   4.562
  225   1HB   LEU  11           HB2      LEU  11   2.795  -2.469   4.636
  226   2HB   LEU  11           HB1      LEU  11   1.258  -2.961   5.281
  227    HG   LEU  11           HG       LEU  11   0.117  -2.419   3.202
  228   1HD1  LEU  11          HD11      LEU  11   2.887  -1.480   2.323
  229   2HD1  LEU  11          HD13      LEU  11   1.490  -1.607   1.256
  230   3HD1  LEU  11          HD12      LEU  11   1.501  -0.429   2.550
  231   1HD2  LEU  11          HD21      LEU  11   1.336  -4.602   3.405
  232   2HD2  LEU  11          HD23      LEU  11   1.342  -4.035   1.748
  233   3HD2  LEU  11          HD22      LEU  11   2.778  -3.855   2.740
  234    H    VAL  12           HN       VAL  12  -0.522  -1.718   6.435
  235    HA   VAL  12           HA       VAL  12  -2.620  -0.425   4.941
  236    HB   VAL  12           HB       VAL  12  -3.340  -2.186   6.539
  237   1HG1  VAL  12          HG11      VAL  12  -2.258  -0.367   8.726
  238   2HG1  VAL  12          HG13      VAL  12  -3.058  -1.896   8.957
  239   3HG1  VAL  12          HG12      VAL  12  -1.526  -1.845   8.115
  240   1HG2  VAL  12          HG21      VAL  12  -4.849  -0.135   6.235
  241   2HG2  VAL  12          HG23      VAL  12  -5.065  -0.904   7.809
  242   3HG2  VAL  12          HG22      VAL  12  -4.106   0.540   7.668
  243    H    GLU  13           HN       GLU  13  -1.071   0.739   7.944
  244    HA   GLU  13           HA       GLU  13  -2.438   3.159   8.311
  245   1HB   GLU  13           HB2      GLU  13   0.560   2.571   8.627
  246   2HB   GLU  13           HB1      GLU  13  -0.264   3.961   9.332
  247   1HG   GLU  13           HG2      GLU  13  -0.901   1.016  10.014
  248   2HG   GLU  13           HG1      GLU  13  -0.141   2.179  11.068
  249    H    ALA  14           HN       ALA  14   0.189   2.396   6.155
  250    HA   ALA  14           HA       ALA  14   0.235   5.009   4.946
  251   1HB   ALA  14           HB2      ALA  14   2.213   3.314   4.858
  252   2HB   ALA  14           HB1      ALA  14   1.232   2.256   3.864
  253   3HB   ALA  14           HB3      ALA  14   1.784   3.793   3.221
  254    H    LEU  15           HN       LEU  15  -1.343   2.055   3.982
  255    HA   LEU  15           HA       LEU  15  -2.509   3.047   1.577
  256   1HB   LEU  15           HB2      LEU  15  -3.854   1.301   3.751
  257   2HB   LEU  15           HB1      LEU  15  -4.502   1.518   2.142
  258    HG   LEU  15           HG       LEU  15  -1.780   0.249   2.743
  259   1HD1  LEU  15          HD12      LEU  15  -3.833  -1.073   3.442
  260   2HD1  LEU  15          HD11      LEU  15  -4.468  -0.915   1.826
  261   3HD1  LEU  15          HD13      LEU  15  -3.006  -1.833   2.111
  262   1HD2  LEU  15          HD21      LEU  15  -2.064   1.393   0.435
  263   2HD2  LEU  15          HD23      LEU  15  -1.814  -0.318   0.342
  264   3HD2  LEU  15          HD22      LEU  15  -3.418   0.315   0.146
  265    OH   TYR  16           OH       TYR  16  -5.803   1.239   9.774
  266    H    TYR  16           HN       TYR  16  -3.593   3.529   4.937
  267    HA   TYR  16           HA       TYR  16  -5.823   5.266   4.469
  268   1HB   TYR  16           HB2      TYR  16  -3.715   5.878   6.599
  269   2HB   TYR  16           HB1      TYR  16  -5.383   6.373   6.614
  270    HD1  TYR  16           HD2      TYR  16  -5.978   3.158   5.671
  271    HD2  TYR  16           HD1      TYR  16  -4.209   5.313   8.889
  272    HE1  TYR  16           HE2      TYR  16  -6.448   1.289   7.246
  273    HE2  TYR  16           HE1      TYR  16  -4.679   3.458  10.389
  274    HH   TYR  16           HH       TYR  16  -4.931   1.243  10.219
  275    H    LEU  17           HN       LEU  17  -2.544   6.283   5.002
  276    HA   LEU  17           HA       LEU  17  -2.574   9.025   4.462
  277   1HB   LEU  17           HB2      LEU  17  -0.624   7.600   5.214
  278   2HB   LEU  17           HB1      LEU  17  -0.456   6.972   3.599
  279    HG   LEU  17           HG       LEU  17  -0.192   9.951   4.124
  280   1HD1  LEU  17          HD11      LEU  17   1.938   7.743   4.070
  281   2HD1  LEU  17          HD13      LEU  17   2.266   9.464   4.198
  282   3HD1  LEU  17          HD12      LEU  17   1.452   8.626   5.505
  283   1HD2  LEU  17          HD22      LEU  17   0.880   8.059   1.953
  284   2HD2  LEU  17          HD21      LEU  17  -0.447   9.178   1.720
  285   3HD2  LEU  17          HD23      LEU  17   1.154   9.790   2.027
  286    H    VAL  18           HN       VAL  18  -2.364   6.504   2.151
  287    HA   VAL  18           HA       VAL  18  -2.447   8.247  -0.254
  288    HB   VAL  18           HB       VAL  18  -2.813   5.253   0.004
  289   1HG1  VAL  18          HG11      VAL  18  -2.123   7.023  -2.413
  290   2HG1  VAL  18          HG13      VAL  18  -2.154   5.277  -2.430
  291   3HG1  VAL  18          HG12      VAL  18  -3.639   6.178  -2.199
  292   1HG2  VAL  18          HG22      VAL  18  -0.372   6.959  -0.638
  293   2HG2  VAL  18          HG21      VAL  18  -0.630   6.054   0.844
  294   3HG2  VAL  18          HG23      VAL  18  -0.416   5.202  -0.673
  295    H    CYS  19           HN       CYS  19  -4.731   5.959   1.013
  296    HA   CYS  19           HA       CYS  19  -6.939   5.970  -0.510
  297   1HB   CYS  19           HB2      CYS  19  -6.201   5.568   2.310
  298   2HB   CYS  19           HB1      CYS  19  -7.860   5.325   1.941
  299    HG   CYS  19           HG1      CYS  19  -7.244   3.259   0.598
  300    H    GLY  20           HN       GLY  20  -7.102   8.314  -1.134
  301   1HA   GLY  20           HA2      GLY  20  -8.587  10.165   0.584
  302   2HA   GLY  20           HA1      GLY  20  -8.342  10.373  -1.136
  303    H    GLU  21           HN       GLU  21  -9.663   8.136  -2.069
  304    HA   GLU  21           HA       GLU  21 -12.527   8.819  -1.598
  305   1HB   GLU  21           HB2      GLU  21 -12.684   7.637  -3.916
  306   2HB   GLU  21           HB1      GLU  21 -12.028   9.260  -3.811
  307   1HG   GLU  21           HG2      GLU  21 -10.671   7.550  -5.264
  308   2HG   GLU  21           HG1      GLU  21  -9.704   8.415  -4.101
  309    NH1  ARG  22           NH2      ARG  22 -11.260   7.931   1.659
  310    NH2  ARG  22           NH1      ARG  22 -13.179   7.044   1.043
  311    H    ARG  22           HN       ARG  22 -10.471   6.089  -1.539
  312    HA   ARG  22           HA       ARG  22 -11.807   3.946  -1.950
  313   1HB   ARG  22           HB2      ARG  22  -9.869   2.962  -0.792
  314   2HB   ARG  22           HB1      ARG  22  -9.368   4.611  -0.897
  315   1HG   ARG  22           HG2      ARG  22 -10.788   3.352   1.540
  316   2HG   ARG  22           HG1      ARG  22  -9.081   3.574   1.396
  317   1HD   ARG  22           HD2      ARG  22  -9.679   5.516   2.613
  318   2HD   ARG  22           HD1      ARG  22  -9.670   6.034   0.914
  319    HE   ARG  22           HE       ARG  22 -12.288   5.127   1.993
  320   1HH1  ARG  22          HH22      ARG  22 -10.333   7.756   1.980
  321   2HH1  ARG  22          HH21      ARG  22 -11.557   8.861   1.480
  322   1HH2  ARG  22          HH12      ARG  22 -13.660   6.184   0.877
  323   2HH2  ARG  22          HH11      ARG  22 -13.608   7.911   0.852
  324    H    GLY  23           HN       GLY  23 -11.801   2.281  -0.954
  325   1HA   GLY  23           HA2      GLY  23 -13.845   1.663   1.170
  326   2HA   GLY  23           HA1      GLY  23 -13.913   0.856  -0.407
  327    H    PHE  24           HN       PHE  24 -11.206   0.697  -0.765
  328    HA   PHE  24           HA       PHE  24  -9.137  -0.262  -0.187
  329   1HB   PHE  24           HB2      PHE  24 -10.621  -1.485   2.215
  330   2HB   PHE  24           HB1      PHE  24  -9.000  -1.924   1.771
  331    HD1  PHE  24           HD2      PHE  24  -7.111  -0.375   2.078
  332    HD2  PHE  24           HD1      PHE  24 -11.062   0.790   3.143
  333    HE1  PHE  24           HE2      PHE  24  -6.229   1.548   3.328
  334    HE2  PHE  24           HE1      PHE  24 -10.182   2.701   4.374
  335    HZ   PHE  24           HZ       PHE  24  -7.760   3.089   4.474
  336    H    PHE  25           HN       PHE  25  -8.169  -2.019  -0.997
  337    HA   PHE  25           HA       PHE  25  -9.871  -4.224  -2.122
  338   1HB   PHE  25           HB2      PHE  25  -8.633  -2.538  -3.608
  339   2HB   PHE  25           HB1      PHE  25  -7.150  -3.169  -2.943
  340    HD1  PHE  25           HD1      PHE  25  -6.398  -5.524  -3.540
  341    HD2  PHE  25           HD2      PHE  25  -9.754  -3.665  -5.369
  342    HE1  PHE  25           HE1      PHE  25  -6.311  -7.163  -5.324
  343    HE2  PHE  25           HE2      PHE  25  -9.666  -5.313  -7.187
  344    HZ   PHE  25           HZ       PHE  25  -7.941  -7.075  -7.171
  345    OH   TYR  26           OH       TYR  26  -5.938  -1.299   4.521
  346    H    TYR  26           HN       TYR  26  -9.152  -4.531   0.555
  347    HA   TYR  26           HA       TYR  26  -6.723  -6.002   0.959
  348   1HB   TYR  26           HB2      TYR  26  -9.383  -5.954   2.471
  349   2HB   TYR  26           HB1      TYR  26  -8.012  -6.884   3.061
  350    HD1  TYR  26           HD1      TYR  26  -5.666  -5.427   2.734
  351    HD2  TYR  26           HD2      TYR  26  -9.537  -3.819   3.474
  352    HE1  TYR  26           HE1      TYR  26  -4.646  -3.365   3.623
  353    HE2  TYR  26           HE2      TYR  26  -8.482  -1.777   4.367
  354    HH   TYR  26           HH       TYR  26  -6.640  -0.640   4.572
  355    H    THR  27           HN       THR  27  -6.261  -7.434  -0.463
  356    HA   THR  27           HA       THR  27  -8.037  -9.669  -1.224
  357    HB   THR  27           HB       THR  27  -5.132  -9.846  -2.059
  358    HG1  THR  27           HG1      THR  27  -6.610  -7.453  -2.350
  359   1HG2  THR  27          HG22      THR  27  -7.109 -11.027  -3.193
  360   2HG2  THR  27          HG21      THR  27  -7.712  -9.430  -3.635
  361   3HG2  THR  27          HG23      THR  27  -6.173  -9.985  -4.258
  362    HA   PRO  28           HA       PRO  28  -6.447  -9.845   3.115
  363   1HB   PRO  28           HB2      PRO  28  -6.854 -12.844   2.764
  364   2HB   PRO  28           HB1      PRO  28  -7.099 -11.874   4.221
  365   1HG   PRO  28           HG2      PRO  28  -9.263 -12.386   2.781
  366   2HG   PRO  28           HG1      PRO  28  -9.001 -10.696   3.221
  367   1HD   PRO  28           HD1      PRO  28  -8.358 -12.059   0.578
  368   2HD   PRO  28           HD2      PRO  28  -9.185 -10.516   0.854
  369    H    LYS  29           HN       LYS  29  -5.246 -12.411   1.409
  370    HA   LYS  29           HA       LYS  29  -3.023 -13.516   2.088
  371   1HB   LYS  29           HB2      LYS  29  -3.691 -13.331  -0.238
  372   2HB   LYS  29           HB1      LYS  29  -3.169 -11.686  -0.327
  373   1HG   LYS  29           HG2      LYS  29  -0.822 -13.196   0.502
  374   2HG   LYS  29           HG1      LYS  29  -1.634 -14.201  -0.667
  375   1HD   LYS  29           HD2      LYS  29  -0.034 -12.708  -1.819
  376   2HD   LYS  29           HD1      LYS  29  -1.669 -12.313  -2.319
  377   1HE   LYS  29           HE2      LYS  29  -1.642 -10.392  -0.619
  378   2HE   LYS  29           HE1      LYS  29   0.021 -10.856  -0.266
  379   1HZ   LYS  29           HZ1      LYS  29   0.005 -10.762  -2.971
  380   2HZ   LYS  29           HZ3      LYS  29  -0.831  -9.321  -2.550
  381   3HZ   LYS  29           HZ2      LYS  29   0.671  -9.719  -1.984
  382    H    THR  30           HN       THR  30  -2.632 -12.074   4.121
  383    HA   THR  30           HA       THR  30  -0.065 -10.546   3.717
  384    HB   THR  30           HB       THR  30  -1.872  -8.951   4.306
  385    HG1  THR  30           HG1      THR  30  -0.667  -8.861   6.646
  386   1HG2  THR  30          HG21      THR  30  -1.911 -10.518   6.964
  387   2HG2  THR  30          HG23      THR  30  -2.812  -9.049   6.598
  388   3HG2  THR  30          HG22      THR  30  -3.220 -10.552   5.796
   
  Start of MODEL          12
 Raw file had  388 H/Q atoms
  Start of MODEL   12
    1    H    GLY   1           HN       GLY   1  -1.977  -8.200   0.716
    2   1HA   GLY   1           HA2      GLY   1  -0.694  -8.770  -1.578
    3   2HA   GLY   1           HA1      GLY   1  -1.747  -7.512  -2.201
    4    H    ILE   2           HN       ILE   2  -1.660  -5.557  -0.555
    5    HA   ILE   2           HA       ILE   2   0.457  -3.945  -0.954
    6    HB   ILE   2           HB       ILE   2   0.174  -3.060   1.528
    7   1HG1  ILE   2          HG12      ILE   2  -2.220  -4.943   1.458
    8   2HG1  ILE   2          HG11      ILE   2  -0.829  -5.248   2.459
    9   1HG2  ILE   2          HG22      ILE   2  -0.884  -2.079  -0.477
   10   2HG2  ILE   2          HG21      ILE   2  -2.203  -3.238  -0.301
   11   3HG2  ILE   2          HG23      ILE   2  -1.949  -1.996   0.903
   12   1HD1  ILE   2           HD2      ILE   2  -1.161  -3.006   3.583
   13   2HD1  ILE   2           HD1      ILE   2  -2.612  -2.778   2.637
   14   3HD1  ILE   2           HD3      ILE   2  -2.539  -4.056   3.810
   15    H    VAL   3           HN       VAL   3   0.640  -5.879   1.951
   16    HA   VAL   3           HA       VAL   3   3.086  -5.368   2.965
   17    HB   VAL   3           HB       VAL   3   2.981  -7.879   3.754
   18   1HG1  VAL   3          HG12      VAL   3   1.795  -6.019   4.982
   19   2HG1  VAL   3          HG11      VAL   3   0.397  -6.222   3.940
   20   3HG1  VAL   3          HG13      VAL   3   0.889  -7.519   5.012
   21   1HG2  VAL   3          HG22      VAL   3   0.451  -7.793   2.016
   22   2HG2  VAL   3          HG21      VAL   3   1.837  -8.782   1.680
   23   3HG2  VAL   3          HG23      VAL   3   0.918  -9.080   3.117
   24    H    GLU   4           HN       GLU   4   3.517  -8.573   1.810
   25    HA   GLU   4           HA       GLU   4   6.100  -8.527   1.365
   26   1HB   GLU   4           HB2      GLU   4   3.810  -9.845  -0.136
   27   2HB   GLU   4           HB1      GLU   4   5.445 -10.250  -0.633
   28   1HG   GLU   4           HG2      GLU   4   4.285 -11.719   1.290
   29   2HG   GLU   4           HG1      GLU   4   5.959 -11.275   1.506
   30    H    GLN   5           HN       GLN   5   4.307  -6.659  -0.732
   31    HA   GLN   5           HA       GLN   5   6.719  -6.328  -2.523
   32   1HB   GLN   5           HB2      GLN   5   3.922  -5.155  -3.070
   33   2HB   GLN   5           HB1      GLN   5   5.150  -5.617  -4.226
   34   1HG   GLN   5           HG2      GLN   5   4.627  -7.948  -4.102
   35   2HG   GLN   5           HG1      GLN   5   3.725  -7.803  -2.604
   36   1HE2  GLN   5          HE21      GLN   5   0.772  -6.798  -4.200
   37   2HE2  GLN   5          HE22      GLN   5   1.602  -6.904  -2.715
   38    H    CYS   6           HN       CYS   6   4.284  -4.325  -0.753
   39    HA   CYS   6           HA       CYS   6   6.117  -2.031  -1.144
   40   1HB   CYS   6           HB2      CYS   6   3.436  -2.321   0.230
   41   2HB   CYS   6           HB1      CYS   6   4.266  -0.816  -0.027
   42    HG   CYS   6           HG1      CYS   6   3.452  -0.725  -2.349
   43    H    CYS   7           HN       CYS   7   5.805  -4.444   1.165
   44    HA   CYS   7           HA       CYS   7   7.158  -2.786   3.247
   45   1HB   CYS   7           HB2      CYS   7   5.009  -3.529   3.910
   46   2HB   CYS   7           HB1      CYS   7   5.250  -5.111   3.274
   47    HG   CYS   7           HG1      CYS   7   6.584  -5.821   5.273
   48    H    THR   8           HN       THR   8   7.162  -5.868   1.665
   49    HA   THR   8           HA       THR   8   9.901  -6.477   2.750
   50    HB   THR   8           HB       THR   8   8.088  -8.578   1.450
   51    HG1  THR   8           HG1      THR   8   7.105  -8.580   3.434
   52   1HG2  THR   8          HG22      THR   8  10.529  -9.097   2.102
   53   2HG2  THR   8          HG21      THR   8  10.081  -8.600   3.736
   54   3HG2  THR   8          HG23      THR   8   9.286  -9.982   2.997
   55    H    SER   9           HN       SER   9   8.291  -6.648  -0.358
   56    HA   SER   9           HA       SER   9  10.940  -6.591  -1.800
   57   1HB   SER   9           HB2      SER   9   9.991  -8.834  -1.861
   58   2HB   SER   9           HB1      SER   9   8.522  -8.173  -2.640
   59    HG   SER   9           HG1      SER   9   9.753  -7.413  -4.327
   60    H    ILE  10           HN       ILE  10  10.301  -4.536  -1.588
   61    HA   ILE  10           HA       ILE  10   8.982  -2.578  -2.078
   62    HB   ILE  10           HB       ILE  10  11.411  -3.197  -3.801
   63   1HG1  ILE  10          HG12      ILE  10  10.854  -0.960  -1.854
   64   2HG1  ILE  10          HG11      ILE  10  11.295  -2.531  -1.243
   65   1HG2  ILE  10          HG21      ILE  10   9.834  -0.564  -3.842
   66   2HG2  ILE  10          HG23      ILE  10  11.417  -0.750  -4.575
   67   3HG2  ILE  10          HG22      ILE  10  10.044  -1.598  -5.238
   68   1HD1  ILE  10           HD2      ILE  10  13.455  -2.359  -2.651
   69   2HD1  ILE  10           HD1      ILE  10  12.966  -0.748  -3.140
   70   3HD1  ILE  10           HD3      ILE  10  13.354  -1.064  -1.470
   71    H    CYS  11           HN       CYS  11   7.539  -1.775  -2.696
   72    HA   CYS  11           HA       CYS  11   6.519  -1.619  -5.427
   73   1HB   CYS  11           HB2      CYS  11   5.264  -3.452  -4.674
   74   2HB   CYS  11           HB1      CYS  11   5.285  -2.882  -3.042
   75    HG   CYS  11           HG1      CYS  11   3.021  -2.399  -4.937
   76    H    SER  12           HN       SER  12   5.026  -0.164  -5.514
   77    HA   SER  12           HA       SER  12   5.156   2.295  -3.761
   78   1HB   SER  12           HB2      SER  12   6.191   2.362  -6.150
   79   2HB   SER  12           HB1      SER  12   4.500   2.469  -6.651
   80    HG   SER  12           HG1      SER  12   6.025   4.422  -5.622
   81    H    LEU  13           HN       LEU  13   3.707   4.079  -4.341
   82    HA   LEU  13           HA       LEU  13   1.103   3.428  -3.213
   83   1HB   LEU  13           HB2      LEU  13   0.718   5.772  -3.355
   84   2HB   LEU  13           HB1      LEU  13   2.450   5.724  -3.254
   85    HG   LEU  13           HG       LEU  13   2.431   5.899  -5.874
   86   1HD1  LEU  13          HD11      LEU  13  -0.393   6.879  -5.150
   87   2HD1  LEU  13          HD13      LEU  13   0.348   6.999  -6.730
   88   3HD1  LEU  13          HD12      LEU  13  -0.118   5.446  -6.095
   89   1HD2  LEU  13          HD22      LEU  13   1.329   8.130  -4.103
   90   2HD2  LEU  13          HD21      LEU  13   3.027   7.730  -4.263
   91   3HD2  LEU  13          HD23      LEU  13   2.143   8.366  -5.638
   92    OH   TYR  14           OH       TYR  14   7.172   3.219  -8.599
   93    H    TYR  14           HN       TYR  14   2.363   3.909  -6.471
   94    HA   TYR  14           HA       TYR  14  -0.185   3.536  -7.756
   95   1HB   TYR  14           HB2      TYR  14   1.211   2.508  -9.667
   96   2HB   TYR  14           HB1      TYR  14   1.216   4.217  -9.367
   97    HD1  TYR  14           HD2      TYR  14   3.207   5.280  -8.403
   98    HD2  TYR  14           HD1      TYR  14   3.200   1.145  -9.347
   99    HE1  TYR  14           HE2      TYR  14   5.658   5.232  -8.250
  100    HE2  TYR  14           HE1      TYR  14   5.658   1.102  -9.189
  101    HH   TYR  14           HH       TYR  14   7.473   2.320  -8.413
  102    H    GLN  15           HN       GLN  15   1.597   1.307  -5.910
  103    HA   GLN  15           HA       GLN  15  -0.167  -0.775  -7.163
  104   1HB   GLN  15           HB2      GLN  15   2.682  -1.120  -6.190
  105   2HB   GLN  15           HB1      GLN  15   1.591  -2.483  -6.497
  106   1HG   GLN  15           HG2      GLN  15   2.044  -0.374  -8.660
  107   2HG   GLN  15           HG1      GLN  15   3.064  -1.807  -8.569
  108   1HE2  GLN  15          HE21      GLN  15  -0.682  -2.172  -9.954
  109   2HE2  GLN  15          HE22      GLN  15  -0.217  -0.683  -9.261
  110    H    LEU  16           HN       LEU  16  -0.649   0.952  -5.134
  111    HA   LEU  16           HA       LEU  16  -1.114  -0.675  -2.843
  112   1HB   LEU  16           HB2      LEU  16   0.172   1.807  -3.144
  113   2HB   LEU  16           HB1      LEU  16  -1.387   2.256  -2.493
  114    HG   LEU  16           HG       LEU  16  -1.059   0.382  -0.881
  115   1HD1  LEU  16          HD11      LEU  16   1.770   0.570  -2.008
  116   2HD1  LEU  16          HD13      LEU  16   1.361  -0.368  -0.575
  117   3HD1  LEU  16          HD12      LEU  16   0.739  -0.819  -2.142
  118   1HD2  LEU  16          HD22      LEU  16   0.961   2.653  -0.934
  119   2HD2  LEU  16          HD21      LEU  16  -0.681   2.766  -0.307
  120   3HD2  LEU  16          HD23      LEU  16   0.506   1.767   0.523
  121    H    GLU  17           HN       GLU  17  -2.308   1.853  -4.825
  122    HA   GLU  17           HA       GLU  17  -5.042   2.118  -3.931
  123   1HB   GLU  17           HB2      GLU  17  -5.627   2.729  -6.287
  124   2HB   GLU  17           HB1      GLU  17  -4.048   3.364  -5.883
  125   1HG   GLU  17           HG2      GLU  17  -4.246   0.636  -7.313
  126   2HG   GLU  17           HG1      GLU  17  -4.044   2.156  -8.123
  127    H    ASN  18           HN       ASN  18  -3.534  -0.054  -5.809
  128    HA   ASN  18           HA       ASN  18  -5.118  -1.955  -6.932
  129   1HB   ASN  18           HB2      ASN  18  -2.732  -1.736  -7.428
  130   2HB   ASN  18           HB1      ASN  18  -2.287  -1.601  -5.780
  131   1HD2  ASN  18          HD21      ASN  18  -0.980  -4.775  -6.211
  132   2HD2  ASN  18          HD22      ASN  18  -0.584  -3.116  -6.123
  133    OH   TYR  19           OH       TYR  19  -0.953  -6.405  -4.957
  134    H    TYR  19           HN       TYR  19  -4.463  -1.565  -3.708
  135    HA   TYR  19           HA       TYR  19  -6.209  -3.806  -2.736
  136   1HB   TYR  19           HB2      TYR  19  -3.872  -2.438  -1.272
  137   2HB   TYR  19           HB1      TYR  19  -4.650  -3.945  -0.782
  138    HD1  TYR  19           HD1      TYR  19  -4.859  -5.612  -2.873
  139    HD2  TYR  19           HD2      TYR  19  -1.751  -2.779  -2.334
  140    HE1  TYR  19           HE1      TYR  19  -3.393  -6.904  -4.348
  141    HE2  TYR  19           HE2      TYR  19  -0.291  -4.103  -3.799
  142    HH   TYR  19           HH       TYR  19  -1.414  -7.258  -4.972
  143    H    CYS  20           HN       CYS  20  -5.139  -0.625  -2.444
  144    HA   CYS  20           HA       CYS  20  -7.148   0.398  -0.581
  145   1HB   CYS  20           HB2      CYS  20  -4.797   0.935  -0.412
  146   2HB   CYS  20           HB1      CYS  20  -4.832   1.652  -1.990
  147    HG   CYS  20           HG1      CYS  20  -5.988   3.675  -1.152
  148    H    ASN  21           HN       ASN  21  -8.985   0.209  -1.700
  149    HA   ASN  21           HA       ASN  21  -9.495   1.962  -4.049
  150   1HB   ASN  21           HB2      ASN  21 -11.626   0.326  -4.077
  151   2HB   ASN  21           HB1      ASN  21 -10.065  -0.351  -4.519
  152   1HD2  ASN  21          HD21      ASN  21 -10.020  -2.585  -1.890
  153   2HD2  ASN  21          HD22      ASN  21  -9.292  -2.010  -3.308
  154    H    PHE   1           HN       PHE   1   4.982   5.445  -4.287
  155    HA   PHE   1           HA       PHE   1   6.322   7.691  -3.069
  156   1HB   PHE   1           HB2      PHE   1   6.254   5.037  -1.544
  157   2HB   PHE   1           HB1      PHE   1   7.330   6.354  -1.119
  158    HD1  PHE   1           HD2      PHE   1   4.208   7.808  -2.113
  159    HD2  PHE   1           HD1      PHE   1   6.098   5.727   1.083
  160    HE1  PHE   1           HE2      PHE   1   2.533   8.668  -0.555
  161    HE2  PHE   1           HE1      PHE   1   4.415   6.588   2.637
  162    HZ   PHE   1           HZ       PHE   1   2.626   8.064   1.823
  163    H    VAL   2           HN       VAL   2   8.784   6.988  -2.679
  164    HA   VAL   2           HA       VAL   2   9.788   6.113  -5.159
  165    HB   VAL   2           HB       VAL   2  11.946   6.661  -4.185
  166   1HG1  VAL   2          HG12      VAL   2  10.628   8.424  -5.380
  167   2HG1  VAL   2          HG11      VAL   2   9.769   8.821  -3.901
  168   3HG1  VAL   2          HG13      VAL   2  11.481   9.159  -4.041
  169   1HG2  VAL   2          HG21      VAL   2  11.508   6.285  -1.760
  170   2HG2  VAL   2          HG23      VAL   2  12.013   7.934  -2.014
  171   3HG2  VAL   2          HG22      VAL   2  10.326   7.588  -1.732
  172    H    ASN   3           HN       ASN   3   8.727   4.147  -4.446
  173    HA   ASN   3           HA       ASN   3   8.673   1.876  -3.656
  174   1HB   ASN   3           HB2      ASN   3  11.002   2.221  -5.588
  175   2HB   ASN   3           HB1      ASN   3  10.053   0.760  -5.436
  176   1HD2  ASN   3          HD21      ASN   3   8.283   3.861  -7.205
  177   2HD2  ASN   3          HD22      ASN   3   9.586   4.249  -6.162
  178    H    GLN   4           HN       GLN   4   9.208   2.017  -1.380
  179    HA   GLN   4           HA       GLN   4  11.840   0.832  -0.701
  180   1HB   GLN   4           HB2      GLN   4  10.207   2.946   0.805
  181   2HB   GLN   4           HB1      GLN   4  11.682   2.227   1.433
  182   1HG   GLN   4           HG2      GLN   4  11.545   3.939  -1.078
  183   2HG   GLN   4           HG1      GLN   4  12.301   4.378   0.439
  184   1HE2  GLN   4          HE21      GLN   4  14.521   2.607  -2.183
  185   2HE2  GLN   4          HE22      GLN   4  13.059   3.434  -2.514
  186    H    HIS   5           HN       HIS   5  11.158   0.648   1.942
  187    HA   HIS   5           HA       HIS   5   9.313  -1.718   2.005
  188   1HB   HIS   5           HB2      HIS   5  11.781  -1.044   3.679
  189   2HB   HIS   5           HB1      HIS   5  10.720  -2.402   4.013
  190    HD1  HIS   5           HD1      HIS   5  12.775  -1.192   1.119
  191    HD2  HIS   5           HD2      HIS   5  11.299  -4.647   2.651
  192    HE1  HIS   5           HE1      HIS   5  13.702  -3.044  -0.285
  193    H    LEU   6           HN       LEU   6   7.619  -0.277   2.189
  194    HA   LEU   6           HA       LEU   6   7.045   1.215   4.655
  195   1HB   LEU   6           HB2      LEU   6   5.278   0.466   2.310
  196   2HB   LEU   6           HB1      LEU   6   4.856   1.591   3.569
  197    HG   LEU   6           HG       LEU   6   6.661   3.139   2.738
  198   1HD1  LEU   6          HD11      LEU   6   6.806   1.130   0.440
  199   2HD1  LEU   6          HD13      LEU   6   7.549   2.724   0.443
  200   3HD1  LEU   6          HD12      LEU   6   8.116   1.502   1.548
  201   1HD2  LEU   6          HD22      LEU   6   4.584   2.174   0.723
  202   2HD2  LEU   6          HD21      LEU   6   4.285   3.327   2.011
  203   3HD2  LEU   6          HD23      LEU   6   5.337   3.753   0.675
  204    H    CYS   7           HN       CYS   7   7.024  -0.391   6.194
  205    HA   CYS   7           HA       CYS   7   5.170  -2.715   5.812
  206   1HB   CYS   7           HB2      CYS   7   7.647  -2.745   6.694
  207   2HB   CYS   7           HB1      CYS   7   6.926  -2.337   8.235
  208    HG   CYS   7           HG1      CYS   7   6.013  -4.671   8.415
  209    H    GLY   8           HN       GLY   8   4.208  -3.425   8.058
  210   1HA   GLY   8           HA2      GLY   8   1.905  -2.882   8.923
  211   2HA   GLY   8           HA1      GLY   8   3.078  -2.369  10.135
  212    H    ASP   9           HN       ASP   9   3.357  -0.391  10.554
  213    HA   ASP   9           HA       ASP   9   1.242   1.479  10.350
  214   1HB   ASP   9           HB2      ASP   9   3.182   2.926  11.444
  215   2HB   ASP   9           HB1      ASP   9   2.886   1.398  12.256
  216    H    HIS  10           HN       HIS  10   4.399   1.644   8.983
  217    HA   HIS  10           HA       HIS  10   4.092   3.880   7.258
  218   1HB   HIS  10           HB2      HIS  10   6.150   2.496   7.998
  219   2HB   HIS  10           HB1      HIS  10   5.819   1.489   6.593
  220    HD1  HIS  10           HD1      HIS  10   5.105   3.694   4.611
  221    HD2  HIS  10           HD2      HIS  10   8.261   4.016   7.153
  222    HE1  HIS  10           HE1      HIS  10   6.664   5.382   3.602
  223    H    LEU  11           HN       LEU  11   2.866   0.796   6.877
  224    HA   LEU  11           HA       LEU  11   2.282   1.025   3.968
  225   1HB   LEU  11           HB2      LEU  11   3.045  -1.136   5.139
  226   2HB   LEU  11           HB1      LEU  11   1.524  -1.165   5.982
  227    HG   LEU  11           HG       LEU  11   0.304  -1.393   3.785
  228   1HD1  LEU  11          HD11      LEU  11   3.166  -1.518   2.671
  229   2HD1  LEU  11          HD13      LEU  11   1.719  -1.778   1.729
  230   3HD1  LEU  11          HD12      LEU  11   2.061  -0.199   2.367
  231   1HD2  LEU  11          HD22      LEU  11   2.637  -3.312   4.191
  232   2HD2  LEU  11          HD21      LEU  11   1.107  -3.388   5.053
  233   3HD2  LEU  11          HD23      LEU  11   1.158  -3.687   3.328
  234    H    VAL  12           HN       VAL  12   0.490   0.734   7.049
  235    HA   VAL  12           HA       VAL  12  -2.086   1.211   5.848
  236    HB   VAL  12           HB       VAL  12  -2.031   0.355   8.163
  237   1HG1  VAL  12          HG12      VAL  12   0.049   1.395   8.816
  238   2HG1  VAL  12          HG11      VAL  12  -0.709   2.966   8.935
  239   3HG1  VAL  12          HG13      VAL  12  -1.179   1.704  10.019
  240   1HG2  VAL  12          HG21      VAL  12  -3.918   1.994   7.525
  241   2HG2  VAL  12          HG23      VAL  12  -3.524   2.077   9.243
  242   3HG2  VAL  12          HG22      VAL  12  -2.927   3.299   8.158
  243    H    GLU  13           HN       GLU  13   0.104   3.549   7.501
  244    HA   GLU  13           HA       GLU  13  -1.406   5.877   6.946
  245   1HB   GLU  13           HB2      GLU  13   1.401   5.186   7.692
  246   2HB   GLU  13           HB1      GLU  13   1.244   6.746   6.883
  247   1HG   GLU  13           HG2      GLU  13   0.906   6.915   9.416
  248   2HG   GLU  13           HG1      GLU  13  -0.524   7.433   8.554
  249    H    ALA  14           HN       ALA  14   0.103   3.821   4.824
  250    HA   ALA  14           HA       ALA  14   0.294   5.838   2.709
  251   1HB   ALA  14           HB2      ALA  14   2.164   4.139   2.992
  252   2HB   ALA  14           HB1      ALA  14   1.045   2.826   2.707
  253   3HB   ALA  14           HB3      ALA  14   1.426   3.945   1.415
  254    H    LEU  15           HN       LEU  15  -1.336   2.598   2.976
  255    HA   LEU  15           HA       LEU  15  -3.050   3.356   0.733
  256   1HB   LEU  15           HB2      LEU  15  -4.611   1.483   1.556
  257   2HB   LEU  15           HB1      LEU  15  -3.038   1.039   0.950
  258    HG   LEU  15           HG       LEU  15  -2.291   0.352   3.104
  259   1HD1  LEU  15          HD11      LEU  15  -5.034   1.333   4.094
  260   2HD1  LEU  15          HD13      LEU  15  -3.862   0.489   5.066
  261   3HD1  LEU  15          HD12      LEU  15  -3.528   2.108   4.514
  262   1HD2  LEU  15          HD21      LEU  15  -3.791  -1.144   1.813
  263   2HD2  LEU  15          HD23      LEU  15  -4.020  -1.357   3.543
  264   3HD2  LEU  15          HD22      LEU  15  -5.185  -0.448   2.615
  265    OH   TYR  16           OH       TYR  16  -7.755   8.046   9.634
  266    H    TYR  16           HN       TYR  16  -3.419   3.844   4.159
  267    HA   TYR  16           HA       TYR  16  -6.157   4.554   4.373
  268   1HB   TYR  16           HB2      TYR  16  -4.498   4.163   6.264
  269   2HB   TYR  16           HB1      TYR  16  -3.676   5.637   5.832
  270    HD1  TYR  16           HD2      TYR  16  -7.271   6.155   5.578
  271    HD2  TYR  16           HD1      TYR  16  -4.008   5.899   8.310
  272    HE1  TYR  16           HE2      TYR  16  -8.555   7.401   7.263
  273    HE2  TYR  16           HE1      TYR  16  -5.314   7.136   9.964
  274    HH   TYR  16           HH       TYR  16  -7.118   8.548  10.143
  275    H    LEU  17           HN       LEU  17  -3.465   6.147   3.110
  276    HA   LEU  17           HA       LEU  17  -4.835   8.742   2.664
  277   1HB   LEU  17           HB2      LEU  17  -2.480   8.646   3.515
  278   2HB   LEU  17           HB1      LEU  17  -1.983   7.714   2.133
  279    HG   LEU  17           HG       LEU  17  -2.427   9.633   0.622
  280   1HD1  LEU  17          HD11      LEU  17  -3.194  11.085   3.209
  281   2HD1  LEU  17          HD13      LEU  17  -3.041  11.828   1.626
  282   3HD1  LEU  17          HD12      LEU  17  -4.311  10.666   1.919
  283   1HD2  LEU  17          HD22      LEU  17  -0.872  10.373   3.146
  284   2HD2  LEU  17          HD21      LEU  17  -0.226   9.439   1.813
  285   3HD2  LEU  17          HD23      LEU  17  -0.659  11.122   1.574
  286    H    VAL  18           HN       VAL  18  -3.097   6.382   0.636
  287    HA   VAL  18           HA       VAL  18  -3.637   7.089  -1.964
  288    HB   VAL  18           HB       VAL  18  -3.889   4.365  -0.750
  289   1HG1  VAL  18          HG11      VAL  18  -3.637   5.175  -3.687
  290   2HG1  VAL  18          HG13      VAL  18  -3.520   3.537  -3.089
  291   3HG1  VAL  18          HG12      VAL  18  -5.039   4.401  -2.987
  292   1HG2  VAL  18          HG21      VAL  18  -1.657   5.553  -0.622
  293   2HG2  VAL  18          HG23      VAL  18  -1.578   4.186  -1.712
  294   3HG2  VAL  18          HG22      VAL  18  -1.723   5.809  -2.350
  295    H    CYS  19           HN       CYS  19  -6.066   5.302  -0.083
  296    HA   CYS  19           HA       CYS  19  -8.261   6.420  -1.819
  297   1HB   CYS  19           HB2      CYS  19  -9.379   4.339  -1.667
  298   2HB   CYS  19           HB1      CYS  19  -7.784   4.100  -2.350
  299    HG   CYS  19           HG1      CYS  19  -8.834   2.917   0.281
  300    H    GLY  20           HN       GLY  20  -7.589   7.720   0.253
  301   1HA   GLY  20           HA2      GLY  20  -8.515   7.261   2.863
  302   2HA   GLY  20           HA1      GLY  20  -8.434   8.854   2.156
  303    H    GLU  21           HN       GLU  21 -10.393   8.436   0.266
  304    HA   GLU  21           HA       GLU  21 -12.785   9.291   1.533
  305   1HB   GLU  21           HB2      GLU  21 -13.289   7.888  -1.033
  306   2HB   GLU  21           HB1      GLU  21 -13.628   9.548  -0.632
  307   1HG   GLU  21           HG2      GLU  21 -11.950   9.448  -2.474
  308   2HG   GLU  21           HG1      GLU  21 -11.070   9.968  -1.055
  309    NH1  ARG  22           NH1      ARG  22 -13.811   0.724   2.419
  310    NH2  ARG  22           NH2      ARG  22 -12.638  -0.570   1.104
  311    H    ARG  22           HN       ARG  22 -12.107   6.306   0.070
  312    HA   ARG  22           HA       ARG  22 -14.492   5.137   1.098
  313   1HB   ARG  22           HB2      ARG  22 -13.726   4.987  -1.312
  314   2HB   ARG  22           HB1      ARG  22 -12.394   4.034  -0.763
  315   1HG   ARG  22           HG2      ARG  22 -15.067   3.034   0.227
  316   2HG   ARG  22           HG1      ARG  22 -14.886   2.964  -1.518
  317   1HD   ARG  22           HD2      ARG  22 -13.074   1.580  -1.434
  318   2HD   ARG  22           HD1      ARG  22 -12.538   2.210   0.123
  319    HE   ARG  22           HE       ARG  22 -14.949   0.378  -0.001
  320   1HH1  ARG  22          HH12      ARG  22 -14.492   1.444   2.495
  321   2HH1  ARG  22          HH11      ARG  22 -13.347   0.349   3.214
  322   1HH2  ARG  22          HH22      ARG  22 -12.429  -0.820   0.164
  323   2HH2  ARG  22          HH21      ARG  22 -12.175  -0.966   1.898
  324    H    GLY  23           HN       GLY  23 -11.255   4.448   1.586
  325   1HA   GLY  23           HA2      GLY  23 -10.347   3.392   3.656
  326   2HA   GLY  23           HA1      GLY  23 -11.953   2.831   4.029
  327    H    PHE  24           HN       PHE  24  -9.507   2.337   1.682
  328    HA   PHE  24           HA       PHE  24  -9.258   0.374   0.261
  329   1HB   PHE  24           HB2      PHE  24  -7.241  -0.646   1.590
  330   2HB   PHE  24           HB1      PHE  24  -7.249   1.091   1.331
  331    HD1  PHE  24           HD1      PHE  24  -8.307  -1.466   3.838
  332    HD2  PHE  24           HD2      PHE  24  -7.131   2.565   3.135
  333    HE1  PHE  24           HE1      PHE  24  -8.256  -1.062   6.249
  334    HE2  PHE  24           HE2      PHE  24  -7.085   2.964   5.562
  335    HZ   PHE  24           HZ       PHE  24  -7.644   1.152   7.115
  336    H    PHE  25           HN       PHE  25  -8.962  -1.910  -0.168
  337    HA   PHE  25           HA       PHE  25 -10.377  -3.804   1.657
  338   1HB   PHE  25           HB2      PHE  25 -11.811  -2.808  -0.401
  339   2HB   PHE  25           HB1      PHE  25 -10.952  -4.041  -1.313
  340    HD1  PHE  25           HD2      PHE  25 -10.731  -6.355   0.424
  341    HD2  PHE  25           HD1      PHE  25 -13.926  -3.553   0.112
  342    HE1  PHE  25           HE2      PHE  25 -12.282  -8.027   1.282
  343    HE2  PHE  25           HE1      PHE  25 -15.481  -5.246   0.971
  344    HZ   PHE  25           HZ       PHE  25 -14.661  -7.484   1.559
  345    OH   TYR  26           OH       TYR  26  -1.583  -8.231   2.784
  346    H    TYR  26           HN       TYR  26  -8.615  -4.845   2.206
  347    HA   TYR  26           HA       TYR  26  -6.324  -5.636   0.915
  348   1HB   TYR  26           HB2      TYR  26  -7.218  -5.994   3.409
  349   2HB   TYR  26           HB1      TYR  26  -7.654  -7.592   2.812
  350    HD1  TYR  26           HD1      TYR  26  -5.848  -8.962   1.604
  351    HD2  TYR  26           HD2      TYR  26  -4.967  -5.458   3.851
  352    HE1  TYR  26           HE1      TYR  26  -3.457  -9.578   1.671
  353    HE2  TYR  26           HE2      TYR  26  -2.582  -6.125   3.903
  354    HH   TYR  26           HH       TYR  26  -1.434  -8.804   3.544
  355    H    THR  27           HN       THR  27  -6.786  -6.153  -1.329
  356    HA   THR  27           HA       THR  27  -7.624  -8.999  -1.782
  357    HB   THR  27           HB       THR  27  -8.163  -8.139  -4.180
  358    HG1  THR  27           HG1      THR  27  -8.197  -5.742  -2.703
  359   1HG2  THR  27          HG21      THR  27  -9.627  -6.779  -1.850
  360   2HG2  THR  27          HG23      THR  27 -10.259  -7.061  -3.457
  361   3HG2  THR  27          HG22      THR  27  -9.963  -8.408  -2.375
  362    HA   PRO  28           HA       PRO  28  -3.038  -9.503  -2.242
  363   1HB   PRO  28           HB2      PRO  28  -4.468 -11.924  -3.415
  364   2HB   PRO  28           HB1      PRO  28  -2.879 -11.863  -2.638
  365   1HG   PRO  28           HG2      PRO  28  -4.903 -12.490  -1.058
  366   2HG   PRO  28           HG1      PRO  28  -3.850 -11.196  -0.491
  367   1HD   PRO  28           HD1      PRO  28  -6.574 -10.958  -1.808
  368   2HD   PRO  28           HD2      PRO  28  -5.936 -10.053  -0.425
  369    H    LYS  29           HN       LYS  29  -5.058 -10.321  -4.709
  370    HA   LYS  29           HA       LYS  29  -4.265 -10.526  -7.149
  371   1HB   LYS  29           HB2      LYS  29  -6.443  -9.724  -6.922
  372   2HB   LYS  29           HB1      LYS  29  -5.974  -8.359  -5.986
  373   1HG   LYS  29           HG2      LYS  29  -4.865  -7.728  -8.555
  374   2HG   LYS  29           HG1      LYS  29  -6.242  -8.695  -8.946
  375   1HD   LYS  29           HD2      LYS  29  -6.582  -6.109  -8.726
  376   2HD   LYS  29           HD1      LYS  29  -7.798  -7.168  -8.068
  377   1HE   LYS  29           HE2      LYS  29  -7.021  -5.108  -6.672
  378   2HE   LYS  29           HE1      LYS  29  -7.255  -6.610  -5.822
  379   1HZ   LYS  29           HZ1      LYS  29  -4.548  -6.508  -6.818
  380   2HZ   LYS  29           HZ3      LYS  29  -4.877  -5.126  -5.974
  381   3HZ   LYS  29           HZ2      LYS  29  -5.154  -6.614  -5.245
  382    H    THR  30           HN       THR  30  -1.986 -10.347  -7.452
  383    HA   THR  30           HA       THR  30  -0.974  -7.574  -8.095
  384    HB   THR  30           HB       THR  30   0.259  -8.351  -6.109
  385    HG1  THR  30           HG1      THR  30   1.991  -7.759  -7.109
  386   1HG2  THR  30          HG21      THR  30   1.214 -10.598  -7.960
  387   2HG2  THR  30          HG23      THR  30   1.724 -10.309  -6.311
  388   3HG2  THR  30          HG22      THR  30   0.103 -10.911  -6.632
   
  Start of MODEL          13
 Raw file had  388 H/Q atoms
  Start of MODEL   13
    1    H    GLY   1           HN       GLY   1  -1.139  -7.386  -4.774
    2   1HA   GLY   1           HA2      GLY   1  -0.440  -5.348  -5.819
    3   2HA   GLY   1           HA1      GLY   1  -1.697  -4.610  -4.841
    4    H    ILE   2           HN       ILE   2  -0.823  -4.677  -2.414
    5    HA   ILE   2           HA       ILE   2   1.647  -2.998  -2.479
    6    HB   ILE   2           HB       ILE   2   0.528  -2.894   0.150
    7   1HG1  ILE   2          HG12      ILE   2  -1.702  -1.771  -0.606
    8   2HG1  ILE   2          HG11      ILE   2  -1.643  -2.951  -1.880
    9   1HG2  ILE   2          HG22      ILE   2   1.728  -1.049  -0.854
   10   2HG2  ILE   2          HG21      ILE   2   0.443  -0.800  -1.996
   11   3HG2  ILE   2          HG23      ILE   2   0.149  -0.549  -0.293
   12   1HD1  ILE   2           HD2      ILE   2  -1.275  -4.789  -0.141
   13   2HD1  ILE   2           HD1      ILE   2  -1.385  -3.565   1.117
   14   3HD1  ILE   2           HD3      ILE   2  -2.773  -3.906   0.115
   15    H    VAL   3           HN       VAL   3   0.686  -6.080  -1.336
   16    HA   VAL   3           HA       VAL   3   2.740  -6.148   0.769
   17    HB   VAL   3           HB       VAL   3   2.239  -8.713   0.734
   18   1HG1  VAL   3          HG12      VAL   3   0.714  -7.220   2.034
   19   2HG1  VAL   3          HG11      VAL   3  -0.285  -6.990   0.612
   20   3HG1  VAL   3          HG13      VAL   3  -0.160  -8.578   1.353
   21   1HG2  VAL   3          HG21      VAL   3   1.852  -8.905  -1.737
   22   2HG2  VAL   3          HG23      VAL   3   0.523  -9.575  -0.817
   23   3HG2  VAL   3          HG22      VAL   3   0.358  -8.006  -1.576
   24    H    GLU   4           HN       GLU   4   4.378  -8.153   0.487
   25    HA   GLU   4           HA       GLU   4   6.658  -8.162  -0.362
   26   1HB   GLU   4           HB2      GLU   4   5.059 -10.064  -1.342
   27   2HB   GLU   4           HB1      GLU   4   5.063  -9.128  -2.816
   28   1HG   GLU   4           HG2      GLU   4   7.549 -10.355  -1.446
   29   2HG   GLU   4           HG1      GLU   4   6.854 -10.876  -2.955
   30    H    GLN   5           HN       GLN   5   5.936  -7.707  -3.650
   31    HA   GLN   5           HA       GLN   5   7.584  -5.748  -4.382
   32   1HB   GLN   5           HB2      GLN   5   5.414  -6.891  -5.511
   33   2HB   GLN   5           HB1      GLN   5   4.708  -5.318  -5.219
   34   1HG   GLN   5           HG2      GLN   5   5.681  -5.009  -7.408
   35   2HG   GLN   5           HG1      GLN   5   6.970  -4.416  -6.387
   36   1HE2  GLN   5          HE21      GLN   5   8.415  -7.883  -7.161
   37   2HE2  GLN   5          HE22      GLN   5   7.541  -7.592  -5.751
   38    H    CYS   6           HN       CYS   6   4.926  -4.665  -2.272
   39    HA   CYS   6           HA       CYS   6   6.229  -1.924  -2.504
   40   1HB   CYS   6           HB2      CYS   6   3.370  -2.391  -1.728
   41   2HB   CYS   6           HB1      CYS   6   4.122  -0.910  -2.194
   42    HG   CYS   6           HG1      CYS   6   2.955  -2.919  -4.185
   43    H    CYS   7           HN       CYS   7   6.107  -4.314  -0.562
   44    HA   CYS   7           HA       CYS   7   6.282  -2.919   2.075
   45   1HB   CYS   7           HB2      CYS   7   4.567  -4.462   2.123
   46   2HB   CYS   7           HB1      CYS   7   5.319  -5.568   1.027
   47    HG   CYS   7           HG1      CYS   7   6.503  -6.732   2.972
   48    H    THR   8           HN       THR   8   7.675  -5.076  -0.130
   49    HA   THR   8           HA       THR   8  10.463  -4.810   0.686
   50    HB   THR   8           HB       THR   8  10.290  -7.041   1.469
   51    HG1  THR   8           HG1      THR   8  10.240  -7.961  -1.133
   52   1HG2  THR   8          HG21      THR   8   8.394  -7.446  -0.744
   53   2HG2  THR   8          HG23      THR   8   8.877  -8.698   0.398
   54   3HG2  THR   8          HG22      THR   8   7.937  -7.300   0.955
   55    H    SER   9           HN       SER   9  11.194  -6.252  -1.768
   56    HA   SER   9           HA       SER   9  11.766  -5.175  -3.934
   57   1HB   SER   9           HB2      SER   9   9.305  -6.879  -4.163
   58   2HB   SER   9           HB1      SER   9  10.458  -6.562  -5.470
   59    HG   SER   9           HG1      SER   9  10.623  -8.214  -3.391
   60    H    ILE  10           HN       ILE  10  10.303  -3.185  -2.797
   61    HA   ILE  10           HA       ILE  10   8.427  -1.786  -3.244
   62    HB   ILE  10           HB       ILE  10  11.235  -1.114  -3.343
   63   1HG1  ILE  10          HG12      ILE  10   9.816  -1.121  -1.318
   64   2HG1  ILE  10          HG11      ILE  10  10.497   0.457  -1.611
   65   1HG2  ILE  10          HG22      ILE  10  10.650   0.422  -5.272
   66   2HG2  ILE  10          HG21      ILE  10   9.397   1.151  -4.307
   67   3HG2  ILE  10          HG23      ILE  10  11.065   1.331  -3.832
   68   1HD1  ILE  10           HD2      ILE  10   8.276   1.236  -2.540
   69   2HD1  ILE  10           HD1      ILE  10   7.601  -0.357  -2.215
   70   3HD1  ILE  10           HD3      ILE  10   8.135   0.603  -0.919
   71    H    CYS  11           HN       CYS  11   7.528  -0.403  -3.918
   72    HA   CYS  11           HA       CYS  11   7.125   0.275  -6.766
   73   1HB   CYS  11           HB2      CYS  11   4.863   0.075  -4.758
   74   2HB   CYS  11           HB1      CYS  11   4.758  -0.001  -6.490
   75    HG   CYS  11           HG1      CYS  11   5.142  -2.463  -6.476
   76    H    SER  12           HN       SER  12   5.255   1.841  -6.448
   77    HA   SER  12           HA       SER  12   6.128   4.339  -5.018
   78   1HB   SER  12           HB2      SER  12   4.660   4.278  -7.585
   79   2HB   SER  12           HB1      SER  12   5.438   5.662  -6.775
   80    HG   SER  12           HG1      SER  12   6.585   3.381  -7.939
   81    H    LEU  13           HN       LEU  13   4.669   6.050  -4.820
   82    HA   LEU  13           HA       LEU  13   2.432   5.463  -3.122
   83   1HB   LEU  13           HB2      LEU  13   3.893   7.604  -3.501
   84   2HB   LEU  13           HB1      LEU  13   2.908   7.925  -4.915
   85    HG   LEU  13           HG       LEU  13   0.883   7.803  -3.280
   86   1HD1  LEU  13          HD11      LEU  13   3.243   8.306  -1.402
   87   2HD1  LEU  13          HD13      LEU  13   1.537   8.385  -0.971
   88   3HD1  LEU  13          HD12      LEU  13   2.263   6.849  -1.403
   89   1HD2  LEU  13          HD22      LEU  13   2.980  10.022  -3.156
   90   2HD2  LEU  13          HD21      LEU  13   1.759   9.817  -4.409
   91   3HD2  LEU  13          HD23      LEU  13   1.272  10.184  -2.771
   92    OH   TYR  14           OH       TYR  14   6.706   6.835  -8.923
   93    H    TYR  14           HN       TYR  14   2.414   6.691  -6.334
   94    HA   TYR  14           HA       TYR  14  -0.323   6.182  -6.969
   95   1HB   TYR  14           HB2      TYR  14   0.704   5.891  -9.457
   96   2HB   TYR  14           HB1      TYR  14   0.673   7.438  -8.643
   97    HD1  TYR  14           HD2      TYR  14   2.666   8.335  -7.572
   98    HD2  TYR  14           HD1      TYR  14   2.826   4.807  -9.936
   99    HE1  TYR  14           HE2      TYR  14   5.134   8.529  -7.698
  100    HE2  TYR  14           HE1      TYR  14   5.294   5.029 -10.044
  101    HH   TYR  14           HH       TYR  14   6.933   5.983  -8.520
  102    H    GLN  15           HN       GLN  15   2.240   3.801  -6.515
  103    HA   GLN  15           HA       GLN  15   0.496   1.770  -7.828
  104   1HB   GLN  15           HB2      GLN  15   3.130   1.570  -6.240
  105   2HB   GLN  15           HB1      GLN  15   2.303   0.189  -6.936
  106   1HG   GLN  15           HG2      GLN  15   2.508   0.999  -9.226
  107   2HG   GLN  15           HG1      GLN  15   3.041   2.582  -8.725
  108   1HE2  GLN  15          HE21      GLN  15   5.778  -0.277  -9.214
  109   2HE2  GLN  15          HE22      GLN  15   4.126  -0.680  -9.368
  110    H    LEU  16           HN       LEU  16   1.485   2.577  -4.699
  111    HA   LEU  16           HA       LEU  16  -0.058   0.893  -3.097
  112   1HB   LEU  16           HB2      LEU  16   0.823   3.782  -2.677
  113   2HB   LEU  16           HB1      LEU  16  -0.433   3.216  -1.626
  114    HG   LEU  16           HG       LEU  16   0.940   1.334  -0.831
  115   1HD1  LEU  16          HD11      LEU  16   3.119   2.355  -2.715
  116   2HD1  LEU  16          HD13      LEU  16   3.292   1.060  -1.540
  117   3HD1  LEU  16          HD12      LEU  16   2.249   0.847  -2.927
  118   1HD2  LEU  16          HD22      LEU  16   2.544   3.901  -0.845
  119   2HD2  LEU  16          HD21      LEU  16   1.278   3.476   0.298
  120   3HD2  LEU  16          HD23      LEU  16   2.770   2.550   0.254
  121    H    GLU  17           HN       GLU  17  -0.944   3.794  -4.643
  122    HA   GLU  17           HA       GLU  17  -3.765   3.984  -4.130
  123   1HB   GLU  17           HB2      GLU  17  -2.145   4.932  -6.551
  124   2HB   GLU  17           HB1      GLU  17  -3.717   5.543  -6.082
  125   1HG   GLU  17           HG2      GLU  17  -2.841   6.290  -3.906
  126   2HG   GLU  17           HG1      GLU  17  -1.275   5.624  -4.244
  127    H    ASN  18           HN       ASN  18  -2.106   2.477  -6.861
  128    HA   ASN  18           HA       ASN  18  -4.205   1.568  -8.450
  129   1HB   ASN  18           HB2      ASN  18  -1.727   1.164  -8.876
  130   2HB   ASN  18           HB1      ASN  18  -1.699  -0.002  -7.585
  131   1HD2  ASN  18          HD21      ASN  18  -3.871  -1.819 -10.218
  132   2HD2  ASN  18          HD22      ASN  18  -4.583  -0.694  -9.149
  133    OH   TYR  19           OH       TYR  19   1.395  -1.744  -6.237
  134    H    TYR  19           HN       TYR  19  -3.216   0.236  -5.473
  135    HA   TYR  19           HA       TYR  19  -5.327  -1.896  -5.384
  136   1HB   TYR  19           HB2      TYR  19  -3.686  -1.296  -2.916
  137   2HB   TYR  19           HB1      TYR  19  -4.001  -2.854  -3.665
  138    HD1  TYR  19           HD1      TYR  19  -3.011  -2.730  -6.292
  139    HD2  TYR  19           HD2      TYR  19  -1.438  -0.847  -2.848
  140    HE1  TYR  19           HE1      TYR  19  -0.761  -2.649  -7.355
  141    HE2  TYR  19           HE2      TYR  19   0.815  -0.797  -3.943
  142    HH   TYR  19           HH       TYR  19   1.720  -2.563  -5.836
  143    H    CYS  20           HN       CYS  20  -4.397   1.008  -3.745
  144    HA   CYS  20           HA       CYS  20  -6.959   1.316  -2.198
  145   1HB   CYS  20           HB2      CYS  20  -4.528   1.666  -1.387
  146   2HB   CYS  20           HB1      CYS  20  -4.640   3.148  -2.305
  147    HG   CYS  20           HG1      CYS  20  -5.870   4.097  -0.413
  148    H    ASN  21           HN       ASN  21  -7.650   1.160  -4.535
  149    HA   ASN  21           HA       ASN  21  -7.689   2.707  -6.685
  150   1HB   ASN  21           HB2      ASN  21 -10.165   2.100  -4.970
  151   2HB   ASN  21           HB1      ASN  21 -10.220   2.457  -6.689
  152   1HD2  ASN  21          HD21      ASN  21  -8.091  -0.794  -6.673
  153   2HD2  ASN  21          HD22      ASN  21  -7.385   0.744  -6.511
  154    H    PHE   1           HN       PHE   1   8.037  10.833  -5.111
  155    HA   PHE   1           HA       PHE   1   7.310   9.238  -3.211
  156   1HB   PHE   1           HB2      PHE   1   5.424   9.154  -5.624
  157   2HB   PHE   1           HB1      PHE   1   4.995   9.221  -3.926
  158    HD1  PHE   1           HD1      PHE   1   6.357  11.159  -6.729
  159    HD2  PHE   1           HD2      PHE   1   4.992  11.292  -2.710
  160    HE1  PHE   1           HE1      PHE   1   6.338  13.608  -6.829
  161    HE2  PHE   1           HE2      PHE   1   4.970  13.741  -2.794
  162    HZ   PHE   1           HZ       PHE   1   5.638  14.911  -4.850
  163    H    VAL   2           HN       VAL   2   9.236   7.853  -4.310
  164    HA   VAL   2           HA       VAL   2   8.347   5.200  -4.900
  165    HB   VAL   2           HB       VAL   2  10.903   6.601  -5.570
  166   1HG1  VAL   2          HG11      VAL   2   9.760   3.954  -6.574
  167   2HG1  VAL   2          HG13      VAL   2  11.203   4.722  -7.196
  168   3HG1  VAL   2          HG12      VAL   2  11.202   4.105  -5.569
  169   1HG2  VAL   2          HG22      VAL   2   8.492   5.958  -7.330
  170   2HG2  VAL   2          HG21      VAL   2   8.973   7.570  -6.855
  171   3HG2  VAL   2          HG23      VAL   2   9.984   6.639  -7.932
  172    H    ASN   3           HN       ASN   3  10.157   3.826  -4.122
  173    HA   ASN   3           HA       ASN   3  11.729   2.916  -2.516
  174   1HB   ASN   3           HB2      ASN   3  11.566   5.582  -1.019
  175   2HB   ASN   3           HB1      ASN   3  12.791   4.344  -0.861
  176   1HD2  ASN   3          HD21      ASN   3  13.262   6.997  -3.708
  177   2HD2  ASN   3          HD22      ASN   3  12.014   7.154  -2.543
  178    H    GLN   4           HN       GLN   4   9.071   4.430  -1.295
  179    HA   GLN   4           HA       GLN   4   8.561   3.900   1.248
  180   1HB   GLN   4           HB2      GLN   4   6.747   3.025  -0.937
  181   2HB   GLN   4           HB1      GLN   4   6.251   3.243   0.725
  182   1HG   GLN   4           HG2      GLN   4   5.681   5.410   0.043
  183   2HG   GLN   4           HG1      GLN   4   7.347   5.725   0.416
  184   1HE2  GLN   4          HE21      GLN   4   7.232   5.416  -3.494
  185   2HE2  GLN   4          HE22      GLN   4   7.244   3.975  -2.581
  186    H    HIS   5           HN       HIS   5  10.113   1.928   1.491
  187    HA   HIS   5           HA       HIS   5   8.971  -0.762   1.521
  188   1HB   HIS   5           HB2      HIS   5  11.421   0.471   2.829
  189   2HB   HIS   5           HB1      HIS   5  10.914  -1.125   3.327
  190    HD1  HIS   5           HD1      HIS   5  11.559   0.538   0.063
  191    HD2  HIS   5           HD2      HIS   5  12.003  -3.076   1.843
  192    HE1  HIS   5           HE1      HIS   5  12.736  -0.937  -1.608
  193    H    LEU   6           HN       LEU   6   6.900  -0.079   2.433
  194    HA   LEU   6           HA       LEU   6   6.803  -0.085   5.434
  195   1HB   LEU   6           HB2      LEU   6   4.939   0.920   3.263
  196   2HB   LEU   6           HB1      LEU   6   4.358   0.682   4.893
  197    HG   LEU   6           HG       LEU   6   5.949   2.293   5.780
  198   1HD1  LEU   6          HD11      LEU   6   6.786   2.748   2.890
  199   2HD1  LEU   6          HD13      LEU   6   7.295   3.748   4.240
  200   3HD1  LEU   6          HD12      LEU   6   7.822   2.090   4.153
  201   1HD2  LEU   6          HD22      LEU   6   4.452   3.342   3.341
  202   2HD2  LEU   6          HD21      LEU   6   3.797   3.143   4.962
  203   3HD2  LEU   6          HD23      LEU   6   5.041   4.342   4.663
  204    H    CYS   7           HN       CYS   7   6.502  -2.133   6.134
  205    HA   CYS   7           HA       CYS   7   4.993  -4.022   4.378
  206   1HB   CYS   7           HB2      CYS   7   7.287  -4.475   5.352
  207   2HB   CYS   7           HB1      CYS   7   6.510  -4.722   6.898
  208    HG   CYS   7           HG1      CYS   7   5.675  -6.952   6.135
  209    H    GLY   8           HN       GLY   8   3.792  -5.755   5.429
  210   1HA   GLY   8           HA2      GLY   8   1.438  -6.083   6.011
  211   2HA   GLY   8           HA1      GLY   8   2.301  -6.257   7.527
  212    H    ASP   9           HN       ASP   9   2.151  -4.777   9.013
  213    HA   ASP   9           HA       ASP   9  -0.351  -3.362   9.232
  214   1HB   ASP   9           HB2      ASP   9   2.205  -3.129  10.982
  215   2HB   ASP   9           HB1      ASP   9   0.546  -2.916  11.508
  216    H    HIS  10           HN       HIS  10   2.942  -2.242   9.057
  217    HA   HIS  10           HA       HIS  10   2.413   0.579   8.756
  218   1HB   HIS  10           HB2      HIS  10   4.669  -0.735   9.114
  219   2HB   HIS  10           HB1      HIS  10   4.734  -0.750   7.350
  220    HD1  HIS  10           HD1      HIS  10   3.446   2.122   7.108
  221    HD2  HIS  10           HD2      HIS  10   6.677   1.221   9.419
  222    HE1  HIS  10           HE1      HIS  10   4.694   4.259   7.465
  223    H    LEU  11           HN       LEU  11   2.144  -1.974   6.588
  224    HA   LEU  11           HA       LEU  11   2.066  -0.433   4.091
  225   1HB   LEU  11           HB2      LEU  11   2.830  -2.820   4.249
  226   2HB   LEU  11           HB1      LEU  11   1.233  -3.311   4.748
  227    HG   LEU  11           HG       LEU  11   0.400  -2.320   2.511
  228   1HD1  LEU  11          HD12      LEU  11   2.540  -1.020   2.079
  229   2HD1  LEU  11          HD11      LEU  11   3.412  -2.528   1.996
  230   3HD1  LEU  11          HD13      LEU  11   2.250  -2.151   0.789
  231   1HD2  LEU  11          HD21      LEU  11   0.701  -4.763   3.055
  232   2HD2  LEU  11          HD23      LEU  11   1.109  -4.437   1.382
  233   3HD2  LEU  11          HD22      LEU  11   2.384  -4.640   2.561
  234    H    VAL  12           HN       VAL  12  -0.405  -2.226   6.007
  235    HA   VAL  12           HA       VAL  12  -2.668  -1.243   4.534
  236    HB   VAL  12           HB       VAL  12  -3.055  -2.999   6.206
  237   1HG1  VAL  12          HG11      VAL  12  -2.159  -0.989   8.317
  238   2HG1  VAL  12          HG13      VAL  12  -2.797  -2.583   8.630
  239   3HG1  VAL  12          HG12      VAL  12  -1.310  -2.412   7.743
  240   1HG2  VAL  12          HG21      VAL  12  -4.916  -1.238   5.888
  241   2HG2  VAL  12          HG23      VAL  12  -4.934  -1.889   7.525
  242   3HG2  VAL  12          HG22      VAL  12  -4.229  -0.323   7.209
  243    H    GLU  13           HN       GLU  13  -0.969   0.060   7.353
  244    HA   GLU  13           HA       GLU  13  -2.274   2.367   7.981
  245   1HB   GLU  13           HB2      GLU  13  -0.407   1.185   9.113
  246   2HB   GLU  13           HB1      GLU  13   0.673   1.674   7.820
  247   1HG   GLU  13           HG2      GLU  13   0.952   3.202   9.624
  248   2HG   GLU  13           HG1      GLU  13   0.060   4.057   8.359
  249    H    ALA  14           HN       ALA  14  -0.139   1.608   5.383
  250    HA   ALA  14           HA       ALA  14  -0.079   4.311   4.406
  251   1HB   ALA  14           HB2      ALA  14   1.912   2.784   4.245
  252   2HB   ALA  14           HB1      ALA  14   1.028   1.678   3.226
  253   3HB   ALA  14           HB3      ALA  14   1.458   3.263   2.618
  254    H    LEU  15           HN       LEU  15  -1.453   1.327   3.022
  255    HA   LEU  15           HA       LEU  15  -2.565   2.776   0.787
  256   1HB   LEU  15           HB2      LEU  15  -4.289   0.865   0.649
  257   2HB   LEU  15           HB1      LEU  15  -2.599   0.469   0.479
  258    HG   LEU  15           HG       LEU  15  -2.538  -0.480   2.679
  259   1HD1  LEU  15          HD11      LEU  15  -5.579  -0.086   2.560
  260   2HD1  LEU  15          HD13      LEU  15  -4.759  -0.995   3.802
  261   3HD1  LEU  15          HD12      LEU  15  -4.590   0.731   3.743
  262   1HD2  LEU  15          HD21      LEU  15  -3.083  -1.843   0.753
  263   2HD2  LEU  15          HD23      LEU  15  -3.941  -2.429   2.153
  264   3HD2  LEU  15          HD22      LEU  15  -4.786  -1.505   0.925
  265    OH   TYR  16           OH       TYR  16  -3.523   6.543   9.386
  266    H    TYR  16           HN       TYR  16  -4.037   2.353   4.064
  267    HA   TYR  16           HA       TYR  16  -6.532   3.634   3.211
  268   1HB   TYR  16           HB2      TYR  16  -7.144   3.523   5.500
  269   2HB   TYR  16           HB1      TYR  16  -5.827   2.378   5.542
  270    HD1  TYR  16           HD1      TYR  16  -6.370   6.091   5.923
  271    HD2  TYR  16           HD2      TYR  16  -4.253   2.637   7.222
  272    HE1  TYR  16           HE1      TYR  16  -5.237   7.412   7.686
  273    HE2  TYR  16           HE2      TYR  16  -3.169   3.987   8.962
  274    HH   TYR  16           HH       TYR  16  -2.766   6.005   9.688
  275    H    LEU  17           HN       LEU  17  -3.526   4.883   4.597
  276    HA   LEU  17           HA       LEU  17  -4.132   7.627   4.662
  277   1HB   LEU  17           HB2      LEU  17  -2.115   6.635   5.650
  278   2HB   LEU  17           HB1      LEU  17  -1.536   6.117   4.093
  279    HG   LEU  17           HG       LEU  17  -1.170   8.463   3.383
  280   1HD1  LEU  17          HD11      LEU  17  -2.204   9.153   6.180
  281   2HD1  LEU  17          HD13      LEU  17  -1.532  10.297   5.030
  282   3HD1  LEU  17          HD12      LEU  17  -3.052   9.507   4.681
  283   1HD2  LEU  17          HD21      LEU  17   0.585   7.267   4.735
  284   2HD2  LEU  17          HD23      LEU  17   0.599   8.991   5.066
  285   3HD2  LEU  17          HD22      LEU  17  -0.147   7.876   6.206
  286    H    VAL  18           HN       VAL  18  -2.788   5.841   1.885
  287    HA   VAL  18           HA       VAL  18  -2.770   8.145   0.102
  288    HB   VAL  18           HB       VAL  18  -2.334   6.742  -1.714
  289   1HG1  VAL  18          HG12      VAL  18  -0.498   6.914  -0.143
  290   2HG1  VAL  18          HG11      VAL  18  -1.056   5.506   0.745
  291   3HG1  VAL  18          HG13      VAL  18  -0.478   5.342  -0.909
  292   1HG2  VAL  18          HG22      VAL  18  -3.280   4.369  -0.129
  293   2HG2  VAL  18          HG21      VAL  18  -4.052   5.060  -1.547
  294   3HG2  VAL  18          HG23      VAL  18  -2.487   4.300  -1.698
  295    H    CYS  19           HN       CYS  19  -5.333   5.497   0.268
  296    HA   CYS  19           HA       CYS  19  -7.049   7.509  -1.213
  297   1HB   CYS  19           HB2      CYS  19  -7.816   5.867  -2.567
  298   2HB   CYS  19           HB1      CYS  19  -6.208   5.334  -2.210
  299    HG   CYS  19           HG1      CYS  19  -8.779   3.927  -1.197
  300    H    GLY  20           HN       GLY  20  -7.082   6.761   1.813
  301   1HA   GLY  20           HA2      GLY  20  -8.763   6.007   3.404
  302   2HA   GLY  20           HA1      GLY  20  -9.177   7.642   3.004
  303    H    GLU  21           HN       GLU  21 -10.663   7.346   0.751
  304    HA   GLU  21           HA       GLU  21 -13.151   6.096   1.747
  305   1HB   GLU  21           HB2      GLU  21 -14.109   7.526  -0.182
  306   2HB   GLU  21           HB1      GLU  21 -13.331   8.424   1.108
  307   1HG   GLU  21           HG2      GLU  21 -11.523   9.072  -0.251
  308   2HG   GLU  21           HG1      GLU  21 -11.443   7.564  -1.114
  309    NH1  ARG  22           NH2      ARG  22 -12.427   9.339  -4.956
  310    NH2  ARG  22           NH1      ARG  22 -10.516   8.923  -5.993
  311    H    ARG  22           HN       ARG  22 -10.985   5.743  -0.890
  312    HA   ARG  22           HA       ARG  22 -12.620   4.108  -2.517
  313   1HB   ARG  22           HB2      ARG  22  -9.694   4.853  -2.577
  314   2HB   ARG  22           HB1      ARG  22 -10.509   4.044  -3.903
  315   1HG   ARG  22           HG2      ARG  22 -11.772   5.926  -4.478
  316   2HG   ARG  22           HG1      ARG  22 -11.930   6.503  -2.851
  317   1HD   ARG  22           HD2      ARG  22  -9.449   7.087  -2.957
  318   2HD   ARG  22           HD1      ARG  22  -9.534   6.814  -4.708
  319    HE   ARG  22           HE       ARG  22 -10.972   8.958  -3.130
  320   1HH1  ARG  22          HH22      ARG  22 -12.876   9.249  -4.058
  321   2HH1  ARG  22          HH21      ARG  22 -12.903   9.745  -5.711
  322   1HH2  ARG  22          HH12      ARG  22  -9.621   8.526  -5.841
  323   2HH2  ARG  22          HH11      ARG  22 -10.813   9.307  -6.851
  324    H    GLY  23           HN       GLY  23 -12.979   2.752  -0.652
  325   1HA   GLY  23           HA2      GLY  23 -12.253   0.882   0.862
  326   2HA   GLY  23           HA1      GLY  23 -13.065   0.241  -0.529
  327    H    PHE  24           HN       PHE  24  -9.759   1.203   0.030
  328    HA   PHE  24           HA       PHE  24  -8.011  -0.093  -1.227
  329   1HB   PHE  24           HB2      PHE  24  -6.921  -0.988   0.956
  330   2HB   PHE  24           HB1      PHE  24  -7.317   0.712   0.874
  331    HD1  PHE  24           HD2      PHE  24 -10.057  -1.736   1.507
  332    HD2  PHE  24           HD1      PHE  24  -7.196   0.868   3.284
  333    HE1  PHE  24           HE2      PHE  24 -11.214  -1.913   3.636
  334    HE2  PHE  24           HE1      PHE  24  -8.355   0.685   5.425
  335    HZ   PHE  24           HZ       PHE  24 -10.388  -0.703   5.612
  336    H    PHE  25           HN       PHE  25  -8.103  -1.667  -2.639
  337    HA   PHE  25           HA       PHE  25  -9.296  -4.268  -2.096
  338   1HB   PHE  25           HB2      PHE  25  -9.181  -2.955  -4.320
  339   2HB   PHE  25           HB1      PHE  25  -7.511  -3.477  -4.438
  340    HD1  PHE  25           HD1      PHE  25 -10.994  -4.662  -4.182
  341    HD2  PHE  25           HD2      PHE  25  -6.994  -5.728  -5.094
  342    HE1  PHE  25           HE1      PHE  25 -11.786  -6.801  -5.078
  343    HE2  PHE  25           HE2      PHE  25  -7.764  -7.874  -5.997
  344    HZ   PHE  25           HZ       PHE  25 -10.164  -8.427  -5.992
  345    OH   TYR  26           OH       TYR  26  -6.982  -3.489   5.790
  346    H    TYR  26           HN       TYR  26  -7.920  -4.601  -0.166
  347    HA   TYR  26           HA       TYR  26  -5.557  -6.294  -0.886
  348   1HB   TYR  26           HB2      TYR  26  -4.097  -5.266   0.677
  349   2HB   TYR  26           HB1      TYR  26  -4.965  -3.880   0.011
  350    HD1  TYR  26           HD1      TYR  26  -7.233  -3.329   1.309
  351    HD2  TYR  26           HD2      TYR  26  -3.975  -5.421   3.017
  352    HE1  TYR  26           HE1      TYR  26  -8.064  -2.778   3.547
  353    HE2  TYR  26           HE2      TYR  26  -4.822  -4.858   5.277
  354    HH   TYR  26           HH       TYR  26  -7.083  -2.526   5.770
  355    H    THR  27           HN       THR  27  -4.707  -7.538   1.052
  356    HA   THR  27           HA       THR  27  -7.075  -8.673   2.552
  357    HB   THR  27           HB       THR  27  -6.157 -10.301   0.935
  358    HG1  THR  27           HG1      THR  27  -6.527 -11.664   2.506
  359   1HG2  THR  27          HG22      THR  27  -3.631  -9.684   1.112
  360   2HG2  THR  27          HG21      THR  27  -3.658 -10.453   2.694
  361   3HG2  THR  27          HG23      THR  27  -4.038 -11.383   1.283
  362    HA   PRO  28           HA       PRO  28  -3.898 -10.730   5.273
  363   1HB   PRO  28           HB2      PRO  28  -3.469  -8.124   6.778
  364   2HB   PRO  28           HB1      PRO  28  -2.613  -9.653   6.965
  365   1HG   PRO  28           HG2      PRO  28  -1.421  -7.838   5.457
  366   2HG   PRO  28           HG1      PRO  28  -1.579  -9.452   4.746
  367   1HD   PRO  28           HD1      PRO  28  -3.360  -7.023   4.304
  368   2HD   PRO  28           HD2      PRO  28  -2.645  -8.087   3.065
  369    H    LYS  29           HN       LYS  29  -6.373 -10.479   4.607
  370    HA   LYS  29           HA       LYS  29  -7.961 -10.054   7.126
  371   1HB   LYS  29           HB2      LYS  29  -8.129  -8.617   4.717
  372   2HB   LYS  29           HB1      LYS  29  -9.368  -9.805   4.509
  373   1HG   LYS  29           HG2      LYS  29 -10.384  -7.811   5.503
  374   2HG   LYS  29           HG1      LYS  29 -10.470  -9.152   6.600
  375   1HD   LYS  29           HD2      LYS  29  -9.700  -6.851   7.623
  376   2HD   LYS  29           HD1      LYS  29  -8.839  -8.285   8.097
  377   1HE   LYS  29           HE2      LYS  29  -7.285  -6.396   7.631
  378   2HE   LYS  29           HE1      LYS  29  -6.997  -7.763   6.590
  379   1HZ   LYS  29           HZ1      LYS  29  -8.920  -6.199   5.281
  380   2HZ   LYS  29           HZ3      LYS  29  -7.664  -5.148   5.766
  381   3HZ   LYS  29           HZ2      LYS  29  -7.318  -6.516   4.877
  382    H    THR  30           HN       THR  30  -7.225 -12.343   7.311
  383    HA   THR  30           HA       THR  30  -7.562 -14.751   6.729
  384    HB   THR  30           HB       THR  30  -8.354 -14.016   9.042
  385    HG1  THR  30           HG1      THR  30  -9.652 -16.111   7.578
  386   1HG2  THR  30          HG22      THR  30 -10.548 -12.878   8.220
  387   2HG2  THR  30          HG21      THR  30 -11.095 -14.477   7.733
  388   3HG2  THR  30          HG23      THR  30 -10.762 -14.149   9.414
   
  Start of MODEL          14
 Raw file had  388 H/Q atoms
  Start of MODEL   14
    1    H    GLY   1           HN       GLY   1  -3.223  -7.486   1.162
    2   1HA   GLY   1           HA2      GLY   1  -3.433  -7.614  -1.223
    3   2HA   GLY   1           HA1      GLY   1  -3.979  -5.942  -1.157
    4    H    ILE   2           HN       ILE   2  -1.574  -5.071   0.008
    5    HA   ILE   2           HA       ILE   2   0.257  -5.002  -2.394
    6    HB   ILE   2           HB       ILE   2   0.584  -2.936  -0.225
    7   1HG1  ILE   2          HG12      ILE   2  -1.382  -1.671  -1.600
    8   2HG1  ILE   2          HG11      ILE   2  -1.966  -3.310  -1.742
    9   1HG2  ILE   2          HG21      ILE   2   0.411  -2.816  -3.275
   10   2HG2  ILE   2          HG23      ILE   2   0.865  -1.481  -2.250
   11   3HG2  ILE   2          HG22      ILE   2   1.887  -2.885  -2.323
   12   1HD1  ILE   2           HD2      ILE   2  -1.880  -3.581   0.806
   13   2HD1  ILE   2           HD1      ILE   2  -1.354  -1.917   0.874
   14   3HD1  ILE   2           HD3      ILE   2  -2.944  -2.306   0.271
   15    H    VAL   3           HN       VAL   3   0.006  -6.530   0.319
   16    HA   VAL   3           HA       VAL   3   2.218  -6.332   1.875
   17    HB   VAL   3           HB       VAL   3   1.964  -8.978   2.046
   18   1HG1  VAL   3          HG11      VAL   3  -0.583  -7.267   2.116
   19   2HG1  VAL   3          HG13      VAL   3  -0.375  -8.798   2.938
   20   3HG1  VAL   3          HG12      VAL   3   0.579  -7.403   3.416
   21   1HG2  VAL   3          HG22      VAL   3  -0.256  -8.414  -0.023
   22   2HG2  VAL   3          HG21      VAL   3   1.178  -9.358  -0.342
   23   3HG2  VAL   3          HG23      VAL   3   0.000  -9.929   0.809
   24    H    GLU   4           HN       GLU   4   2.460  -8.358  -1.041
   25    HA   GLU   4           HA       GLU   4   5.298  -8.630  -0.602
   26   1HB   GLU   4           HB2      GLU   4   4.929  -9.257  -3.299
   27   2HB   GLU   4           HB1      GLU   4   4.715 -10.388  -1.993
   28   1HG   GLU   4           HG2      GLU   4   2.801 -10.464  -3.589
   29   2HG   GLU   4           HG1      GLU   4   2.237 -10.004  -2.016
   30    H    GLN   5           HN       GLN   5   3.425  -6.900  -2.982
   31    HA   GLN   5           HA       GLN   5   5.240  -5.378  -4.369
   32   1HB   GLN   5           HB2      GLN   5   2.542  -4.680  -3.184
   33   2HB   GLN   5           HB1      GLN   5   3.323  -3.543  -4.255
   34   1HG   GLN   5           HG2      GLN   5   3.387  -6.110  -5.602
   35   2HG   GLN   5           HG1      GLN   5   1.796  -5.957  -4.899
   36   1HE2  GLN   5          HE21      GLN   5   0.830  -3.830  -7.490
   37   2HE2  GLN   5          HE22      GLN   5   0.327  -4.975  -6.352
   38    H    CYS   6           HN       CYS   6   4.047  -4.360  -1.208
   39    HA   CYS   6           HA       CYS   6   6.293  -2.374  -1.035
   40   1HB   CYS   6           HB2      CYS   6   3.561  -2.452   0.210
   41   2HB   CYS   6           HB1      CYS   6   4.782  -1.368   0.791
   42    HG   CYS   6           HG1      CYS   6   4.527   0.029  -1.324
   43    H    CYS   7           HN       CYS   7   4.855  -4.921   0.874
   44    HA   CYS   7           HA       CYS   7   6.890  -4.393   3.005
   45   1HB   CYS   7           HB2      CYS   7   4.567  -4.205   3.464
   46   2HB   CYS   7           HB1      CYS   7   4.224  -5.795   2.923
   47    HG   CYS   7           HG1      CYS   7   5.210  -6.787   5.084
   48    H    THR   8           HN       THR   8   7.493  -5.601   0.709
   49    HA   THR   8           HA       THR   8   9.159  -7.924   1.536
   50    HB   THR   8           HB       THR   8   7.306  -8.351  -0.909
   51    HG1  THR   8           HG1      THR   8   6.903  -8.666   1.769
   52   1HG2  THR   8          HG21      THR   8   8.945 -10.247   0.818
   53   2HG2  THR   8          HG23      THR   8   8.066 -10.647  -0.641
   54   3HG2  THR   8          HG22      THR   8   9.528  -9.666  -0.737
   55    H    SER   9           HN       SER   9   7.887  -6.109  -1.077
   56    HA   SER   9           HA       SER   9  10.567  -5.642  -2.341
   57   1HB   SER   9           HB2      SER   9   8.867  -6.780  -3.800
   58   2HB   SER   9           HB1      SER   9   7.699  -5.506  -3.465
   59    HG   SER   9           HG1      SER   9   9.769  -5.461  -5.255
   60    H    ILE  10           HN       ILE  10   8.680  -3.411  -3.616
   61    HA   ILE  10           HA       ILE  10   9.033  -1.385  -1.397
   62    HB   ILE  10           HB       ILE  10  10.087  -1.296  -4.208
   63   1HG1  ILE  10          HG12      ILE  10  11.045  -1.070  -1.374
   64   2HG1  ILE  10          HG11      ILE  10  11.664  -2.002  -2.708
   65   1HG2  ILE  10          HG21      ILE  10   9.472   1.148  -2.499
   66   2HG2  ILE  10          HG23      ILE  10  10.423   1.201  -3.988
   67   3HG2  ILE  10          HG22      ILE  10   8.727   0.826  -4.048
   68   1HD1  ILE  10           HD1      ILE  10  11.923   1.008  -2.420
   69   2HD1  ILE  10           HD3      ILE  10  13.198  -0.128  -2.062
   70   3HD1  ILE  10           HD2      ILE  10  12.625   0.081  -3.719
   71    H    CYS  11           HN       CYS  11   7.707  -1.433  -4.551
   72    HA   CYS  11           HA       CYS  11   5.812  -0.525  -5.519
   73   1HB   CYS  11           HB2      CYS  11   4.444  -1.965  -4.563
   74   2HB   CYS  11           HB1      CYS  11   5.122  -1.724  -2.982
   75    HG   CYS  11           HG1      CYS  11   2.537  -0.421  -3.943
   76    H    SER  12           HN       SER  12   5.209   1.213  -6.129
   77    HA   SER  12           HA       SER  12   5.359   3.688  -4.512
   78   1HB   SER  12           HB2      SER  12   6.571   3.329  -6.798
   79   2HB   SER  12           HB1      SER  12   4.943   3.406  -7.431
   80    HG   SER  12           HG1      SER  12   6.056   5.381  -7.488
   81    H    LEU  13           HN       LEU  13   3.975   5.444  -5.854
   82    HA   LEU  13           HA       LEU  13   1.447   5.490  -4.535
   83   1HB   LEU  13           HB2      LEU  13   2.691   7.425  -5.768
   84   2HB   LEU  13           HB1      LEU  13   2.125   6.759  -7.270
   85    HG   LEU  13           HG       LEU  13   0.631   8.478  -6.838
   86   1HD1  LEU  13          HD12      LEU  13  -0.590   6.491  -7.477
   87   2HD1  LEU  13          HD11      LEU  13  -0.846   6.053  -5.802
   88   3HD1  LEU  13          HD13      LEU  13  -1.539   7.511  -6.439
   89   1HD2  LEU  13          HD21      LEU  13   1.277   8.842  -4.439
   90   2HD2  LEU  13          HD23      LEU  13  -0.467   8.795  -4.618
   91   3HD2  LEU  13          HD22      LEU  13   0.382   7.399  -3.983
   92    OH   TYR  14           OH       TYR  14   6.703   5.194  -9.274
   93    H    TYR  14           HN       TYR  14   2.090   4.935  -7.808
   94    HA   TYR  14           HA       TYR  14  -0.344   3.871  -8.679
   95   1HB   TYR  14           HB2      TYR  14   1.332   2.470 -10.369
   96   2HB   TYR  14           HB1      TYR  14   0.880   4.140 -10.584
   97    HD1  TYR  14           HD1      TYR  14   2.291   5.904  -9.523
   98    HD2  TYR  14           HD2      TYR  14   3.656   1.920 -10.062
   99    HE1  TYR  14           HE1      TYR  14   4.610   6.658  -9.224
  100    HE2  TYR  14           HE2      TYR  14   5.974   2.675  -9.771
  101    HH   TYR  14           HH       TYR  14   7.229   4.907 -10.029
  102    H    GLN  15           HN       GLN  15   1.971   2.306  -6.581
  103    HA   GLN  15           HA       GLN  15   0.560  -0.234  -7.170
  104   1HB   GLN  15           HB2      GLN  15   3.133   0.441  -5.687
  105   2HB   GLN  15           HB1      GLN  15   2.470  -1.201  -5.713
  106   1HG   GLN  15           HG2      GLN  15   2.642  -1.406  -8.105
  107   2HG   GLN  15           HG1      GLN  15   2.906   0.312  -8.336
  108   1HE2  GLN  15          HE21      GLN  15   6.024  -2.060  -7.663
  109   2HE2  GLN  15          HE22      GLN  15   4.430  -2.679  -7.576
  110    H    LEU  16           HN       LEU  16   0.639   2.040  -4.816
  111    HA   LEU  16           HA       LEU  16  -0.649   0.356  -2.876
  112   1HB   LEU  16           HB2      LEU  16   0.135   3.354  -2.893
  113   2HB   LEU  16           HB1      LEU  16  -0.846   2.742  -1.593
  114    HG   LEU  16           HG       LEU  16   1.815   1.421  -2.399
  115   1HD1  LEU  16          HD11      LEU  16   1.248   3.300  -0.095
  116   2HD1  LEU  16          HD13      LEU  16   2.744   2.430  -0.378
  117   3HD1  LEU  16          HD12      LEU  16   2.244   3.678  -1.498
  118   1HD2  LEU  16          HD21      LEU  16   0.191  -0.051  -1.027
  119   2HD2  LEU  16          HD23      LEU  16   1.636   0.349  -0.148
  120   3HD2  LEU  16          HD22      LEU  16   0.147   1.196   0.188
  121    H    GLU  17           HN       GLU  17  -1.456   2.812  -5.234
  122    HA   GLU  17           HA       GLU  17  -4.249   3.173  -4.581
  123   1HB   GLU  17           HB2      GLU  17  -4.517   3.977  -6.911
  124   2HB   GLU  17           HB1      GLU  17  -3.067   4.643  -6.211
  125   1HG   GLU  17           HG2      GLU  17  -1.691   2.975  -7.380
  126   2HG   GLU  17           HG1      GLU  17  -3.104   2.216  -8.084
  127    H    ASN  18           HN       ASN  18  -2.581   0.917  -6.539
  128    HA   ASN  18           HA       ASN  18  -4.493  -0.622  -7.811
  129   1HB   ASN  18           HB2      ASN  18  -1.992  -0.955  -7.933
  130   2HB   ASN  18           HB1      ASN  18  -1.964  -1.497  -6.275
  131   1HD2  ASN  18          HD21      ASN  18  -3.810  -4.381  -8.217
  132   2HD2  ASN  18          HD22      ASN  18  -4.631  -2.953  -7.797
  133    OH   TYR  19           OH       TYR  19  -1.417  -5.813  -6.063
  134    H    TYR  19           HN       TYR  19  -3.961  -0.578  -4.416
  135    HA   TYR  19           HA       TYR  19  -6.244  -2.483  -3.941
  136   1HB   TYR  19           HB2      TYR  19  -3.862  -1.945  -2.060
  137   2HB   TYR  19           HB1      TYR  19  -5.046  -3.237  -1.893
  138    HD1  TYR  19           HD2      TYR  19  -5.043  -5.115  -3.446
  139    HD2  TYR  19           HD1      TYR  19  -2.159  -2.018  -3.765
  140    HE1  TYR  19           HE2      TYR  19  -3.681  -6.511  -4.962
  141    HE2  TYR  19           HE1      TYR  19  -0.820  -3.397  -5.255
  142    HH   TYR  19           HH       TYR  19  -1.430  -5.243  -6.855
  143    H    CYS  20           HN       CYS  20  -5.309   0.592  -3.787
  144    HA   CYS  20           HA       CYS  20  -7.199   1.655  -1.697
  145   1HB   CYS  20           HB2      CYS  20  -4.890   1.632  -1.205
  146   2HB   CYS  20           HB1      CYS  20  -4.599   2.621  -2.598
  147    HG   CYS  20           HG1      CYS  20  -5.913   3.587   0.008
  148    H    ASN  21           HN       ASN  21  -8.962   2.237  -3.068
  149    HA   ASN  21           HA       ASN  21  -8.322   4.247  -5.234
  150   1HB   ASN  21           HB2      ASN  21 -10.108   3.086  -6.669
  151   2HB   ASN  21           HB1      ASN  21  -8.681   2.115  -6.344
  152   1HD2  ASN  21          HD21      ASN  21 -10.419  -0.234  -4.458
  153   2HD2  ASN  21          HD22      ASN  21  -8.889   0.347  -4.955
  154    H    PHE   1           HN       PHE   1   5.590   6.798  -5.576
  155    HA   PHE   1           HA       PHE   1   5.066   8.426  -3.114
  156   1HB   PHE   1           HB2      PHE   1   3.433   6.633  -3.642
  157   2HB   PHE   1           HB1      PHE   1   4.723   5.450  -3.693
  158    HD1  PHE   1           HD2      PHE   1   3.145   7.916  -1.374
  159    HD2  PHE   1           HD1      PHE   1   5.259   4.243  -1.786
  160    HE1  PHE   1           HE2      PHE   1   2.916   7.508   1.045
  161    HE2  PHE   1           HE1      PHE   1   5.037   3.843   0.597
  162    HZ   PHE   1           HZ       PHE   1   3.866   5.464   2.039
  163    H    VAL   2           HN       VAL   2   6.029   6.912  -1.084
  164    HA   VAL   2           HA       VAL   2   8.773   7.523  -1.006
  165    HB   VAL   2           HB       VAL   2   7.166   5.880   0.869
  166   1HG1  VAL   2          HG11      VAL   2   9.563   7.725   1.395
  167   2HG1  VAL   2          HG13      VAL   2   8.650   6.917   2.655
  168   3HG1  VAL   2          HG12      VAL   2   9.582   5.977   1.523
  169   1HG2  VAL   2          HG22      VAL   2   7.435   8.942   0.773
  170   2HG2  VAL   2          HG21      VAL   2   5.955   8.053   0.461
  171   3HG2  VAL   2          HG23      VAL   2   6.637   8.068   2.068
  172    H    ASN   3           HN       ASN   3   8.741   5.862  -2.901
  173    HA   ASN   3           HA       ASN   3   9.037   3.157  -2.949
  174   1HB   ASN   3           HB2      ASN   3  10.573   5.350  -4.367
  175   2HB   ASN   3           HB1      ASN   3  10.810   3.653  -4.782
  176   1HD2  ASN   3          HD21      ASN   3   7.393   5.366  -5.872
  177   2HD2  ASN   3          HD22      ASN   3   8.507   6.308  -4.996
  178    H    GLN   4           HN       GLN   4   9.778   2.735  -0.712
  179    HA   GLN   4           HA       GLN   4  12.545   1.768  -0.646
  180   1HB   GLN   4           HB2      GLN   4  13.085   3.537   0.747
  181   2HB   GLN   4           HB1      GLN   4  11.462   4.146   0.713
  182   1HG   GLN   4           HG2      GLN   4  12.520   2.080   2.744
  183   2HG   GLN   4           HG1      GLN   4  12.132   3.748   3.055
  184   1HE2  GLN   4          HE21      GLN   4   8.623   2.441   2.256
  185   2HE2  GLN   4          HE22      GLN   4   9.610   3.217   1.115
  186    H    HIS   5           HN       HIS   5  12.206   0.535   1.772
  187    HA   HIS   5           HA       HIS   5  10.098  -1.499   1.195
  188   1HB   HIS   5           HB2      HIS   5  12.382  -1.591   3.218
  189   2HB   HIS   5           HB1      HIS   5  11.391  -2.948   2.719
  190    HD1  HIS   5           HD1      HIS   5  11.416  -3.019  -0.086
  191    HD2  HIS   5           HD2      HIS   5  14.739  -1.647   1.815
  192    HE1  HIS   5           HE1      HIS   5  13.307  -3.251  -1.708
  193    H    LEU   6           HN       LEU   6   8.279  -0.228   1.896
  194    HA   LEU   6           HA       LEU   6   8.012   0.195   4.829
  195   1HB   LEU   6           HB2      LEU   6   5.873   1.368   4.199
  196   2HB   LEU   6           HB1      LEU   6   7.290   2.072   3.485
  197    HG   LEU   6           HG       LEU   6   5.883  -0.041   1.845
  198   1HD1  LEU   6          HD11      LEU   6   4.825   2.779   2.338
  199   2HD1  LEU   6          HD13      LEU   6   4.208   1.661   1.119
  200   3HD1  LEU   6          HD12      LEU   6   4.041   1.300   2.831
  201   1HD2  LEU   6          HD22      LEU   6   6.961   2.738   1.150
  202   2HD2  LEU   6          HD21      LEU   6   7.841   1.236   0.914
  203   3HD2  LEU   6          HD23      LEU   6   6.388   1.529   0.015
  204    H    CYS   7           HN       CYS   7   6.970  -1.103   6.147
  205    HA   CYS   7           HA       CYS   7   5.211  -3.237   5.002
  206   1HB   CYS   7           HB2      CYS   7   7.326  -3.950   5.971
  207   2HB   CYS   7           HB1      CYS   7   6.882  -3.286   7.524
  208    HG   CYS   7           HG1      CYS   7   5.481  -5.302   7.995
  209    H    GLY   8           HN       GLY   8   3.921  -4.370   6.652
  210   1HA   GLY   8           HA2      GLY   8   1.539  -4.163   7.194
  211   2HA   GLY   8           HA1      GLY   8   2.422  -4.036   8.706
  212    H    ASP   9           HN       ASP   9   2.331  -2.309   9.805
  213    HA   ASP   9           HA       ASP   9   0.124  -0.580   9.690
  214   1HB   ASP   9           HB2      ASP   9   2.889  -0.126  11.010
  215   2HB   ASP   9           HB1      ASP   9   1.351   0.507  11.576
  216    H    HIS  10           HN       HIS  10   3.377   0.240   8.936
  217    HA   HIS  10           HA       HIS  10   2.957   2.842   7.795
  218   1HB   HIS  10           HB2      HIS  10   5.009   1.967   8.797
  219   2HB   HIS  10           HB1      HIS  10   5.207   0.864   7.428
  220    HD1  HIS  10           HD1      HIS  10   4.353   4.499   7.322
  221    HD2  HIS  10           HD2      HIS  10   7.373   2.041   6.101
  222    HE1  HIS  10           HE1      HIS  10   5.918   5.898   5.980
  223    H    LEU  11           HN       LEU  11   1.989   0.076   6.555
  224    HA   LEU  11           HA       LEU  11   2.114   0.934   3.673
  225   1HB   LEU  11           HB2      LEU  11   3.210  -1.218   4.273
  226   2HB   LEU  11           HB1      LEU  11   1.742  -1.809   5.007
  227    HG   LEU  11           HG       LEU  11   1.771  -0.969   2.082
  228   1HD1  LEU  11          HD11      LEU  11   2.400  -3.683   3.319
  229   2HD1  LEU  11          HD13      LEU  11   2.236  -3.362   1.598
  230   3HD1  LEU  11          HD12      LEU  11   3.557  -2.636   2.501
  231   1HD2  LEU  11          HD22      LEU  11   0.174  -2.968   3.758
  232   2HD2  LEU  11          HD21      LEU  11  -0.442  -1.431   3.175
  233   3HD2  LEU  11          HD23      LEU  11  -0.019  -2.698   2.042
  234    H    VAL  12           HN       VAL  12  -0.003  -0.529   6.131
  235    HA   VAL  12           HA       VAL  12  -2.429  -0.104   4.662
  236    HB   VAL  12           HB       VAL  12  -2.402  -1.549   6.640
  237   1HG1  VAL  12          HG11      VAL  12  -1.831   0.986   8.260
  238   2HG1  VAL  12          HG13      VAL  12  -2.137  -0.600   8.918
  239   3HG1  VAL  12          HG12      VAL  12  -0.752  -0.335   7.905
  240   1HG2  VAL  12          HG21      VAL  12  -4.526  -0.187   6.056
  241   2HG2  VAL  12          HG23      VAL  12  -4.447  -0.505   7.791
  242   3HG2  VAL  12          HG22      VAL  12  -3.996   1.056   7.155
  243    H    GLU  13           HN       GLU  13  -0.863   2.001   7.097
  244    HA   GLU  13           HA       GLU  13  -2.811   4.110   6.898
  245   1HB   GLU  13           HB2      GLU  13  -1.136   5.454   8.084
  246   2HB   GLU  13           HB1      GLU  13  -0.906   3.831   8.676
  247   1HG   GLU  13           HG2      GLU  13   1.012   3.523   7.054
  248   2HG   GLU  13           HG1      GLU  13   0.799   5.171   6.502
  249    H    ALA  14           HN       ALA  14   0.014   3.183   5.125
  250    HA   ALA  14           HA       ALA  14   0.220   5.423   3.506
  251   1HB   ALA  14           HB2      ALA  14   1.922   3.449   3.499
  252   2HB   ALA  14           HB1      ALA  14   0.803   2.489   2.567
  253   3HB   ALA  14           HB3      ALA  14   1.498   3.903   1.867
  254    H    LEU  15           HN       LEU  15  -1.653   2.562   3.045
  255    HA   LEU  15           HA       LEU  15  -3.059   3.244   0.613
  256   1HB   LEU  15           HB2      LEU  15  -4.213   1.720   2.982
  257   2HB   LEU  15           HB1      LEU  15  -4.805   1.671   1.343
  258    HG   LEU  15           HG       LEU  15  -1.945   0.816   2.028
  259   1HD1  LEU  15          HD12      LEU  15  -3.784  -0.427   3.253
  260   2HD1  LEU  15          HD11      LEU  15  -4.485  -0.843   1.703
  261   3HD1  LEU  15          HD13      LEU  15  -2.895  -1.442   2.159
  262   1HD2  LEU  15          HD21      LEU  15  -2.593   1.408  -0.370
  263   2HD2  LEU  15          HD23      LEU  15  -2.125  -0.247  -0.163
  264   3HD2  LEU  15          HD22      LEU  15  -3.820   0.158  -0.291
  265    OH   TYR  16           OH       TYR  16  -7.299   0.483   7.860
  266    H    TYR  16           HN       TYR  16  -4.105   3.632   3.922
  267    HA   TYR  16           HA       TYR  16  -6.488   5.070   3.653
  268   1HB   TYR  16           HB2      TYR  16  -4.291   5.366   5.755
  269   2HB   TYR  16           HB1      TYR  16  -5.878   6.085   5.930
  270    HD1  TYR  16           HD2      TYR  16  -6.256   2.942   4.246
  271    HD2  TYR  16           HD1      TYR  16  -5.592   4.650   8.092
  272    HE1  TYR  16           HE2      TYR  16  -7.093   0.916   5.298
  273    HE2  TYR  16           HE1      TYR  16  -6.452   2.565   9.123
  274    HH   TYR  16           HH       TYR  16  -7.714   0.020   7.130
  275    H    LEU  17           HN       LEU  17  -3.294   6.252   3.603
  276    HA   LEU  17           HA       LEU  17  -3.819   9.081   3.299
  277   1HB   LEU  17           HB2      LEU  17  -1.827   8.003   4.405
  278   2HB   LEU  17           HB1      LEU  17  -1.331   7.356   2.868
  279    HG   LEU  17           HG       LEU  17  -1.018   9.674   1.979
  280   1HD1  LEU  17          HD11      LEU  17  -1.613  10.417   4.887
  281   2HD1  LEU  17          HD13      LEU  17  -1.058  11.526   3.644
  282   3HD1  LEU  17          HD12      LEU  17  -2.645  10.805   3.522
  283   1HD2  LEU  17          HD22      LEU  17   0.357   9.020   4.637
  284   2HD2  LEU  17          HD21      LEU  17   0.827   8.366   3.081
  285   3HD2  LEU  17          HD23      LEU  17   1.006  10.084   3.399
  286    H    VAL  18           HN       VAL  18  -2.583   6.690   0.932
  287    HA   VAL  18           HA       VAL  18  -2.622   8.513  -1.309
  288    HB   VAL  18           HB       VAL  18  -1.306   6.534  -1.428
  289   1HG1  VAL  18          HG12      VAL  18  -2.696   5.009  -0.171
  290   2HG1  VAL  18          HG11      VAL  18  -3.862   4.993  -1.462
  291   3HG1  VAL  18          HG13      VAL  18  -2.278   4.307  -1.726
  292   1HG2  VAL  18          HG21      VAL  18  -2.157   7.442  -3.581
  293   2HG2  VAL  18          HG23      VAL  18  -2.021   5.700  -3.692
  294   3HG2  VAL  18          HG22      VAL  18  -3.587   6.444  -3.465
  295    H    CYS  19           HN       CYS  19  -5.230   6.158  -0.278
  296    HA   CYS  19           HA       CYS  19  -7.194   7.829  -1.856
  297   1HB   CYS  19           HB2      CYS  19  -7.860   4.996  -1.600
  298   2HB   CYS  19           HB1      CYS  19  -7.858   6.042  -2.985
  299    HG   CYS  19           HG1      CYS  19  -5.563   5.337  -3.621
  300    H    GLY  20           HN       GLY  20  -7.306   8.838   0.229
  301   1HA   GLY  20           HA2      GLY  20  -8.518   7.511   2.540
  302   2HA   GLY  20           HA1      GLY  20  -8.352   9.241   2.362
  303    H    GLU  21           HN       GLU  21 -10.091   7.317   0.047
  304    HA   GLU  21           HA       GLU  21 -12.685   8.443   1.062
  305   1HB   GLU  21           HB2      GLU  21 -13.269   8.965  -1.195
  306   2HB   GLU  21           HB1      GLU  21 -11.596   9.422  -1.067
  307   1HG   GLU  21           HG2      GLU  21 -12.655   6.986  -2.525
  308   2HG   GLU  21           HG1      GLU  21 -11.961   8.396  -3.226
  309    NH1  ARG  22           NH1      ARG  22 -13.701   3.006  -5.023
  310    NH2  ARG  22           NH2      ARG  22 -15.648   3.213  -3.991
  311    H    ARG  22           HN       ARG  22 -10.983   5.699   0.061
  312    HA   ARG  22           HA       ARG  22 -13.218   3.926   0.415
  313   1HB   ARG  22           HB2      ARG  22 -10.846   3.805  -1.402
  314   2HB   ARG  22           HB1      ARG  22 -11.389   2.259  -0.793
  315   1HG   ARG  22           HG2      ARG  22 -12.423   2.647  -2.935
  316   2HG   ARG  22           HG1      ARG  22 -13.681   2.718  -1.704
  317   1HD   ARG  22           HD2      ARG  22 -13.553   5.196  -1.687
  318   2HD   ARG  22           HD1      ARG  22 -12.187   5.117  -2.769
  319    HE   ARG  22           HE       ARG  22 -14.327   5.499  -4.102
  320   1HH1  ARG  22          HH12      ARG  22 -12.817   3.469  -5.080
  321   2HH1  ARG  22          HH11      ARG  22 -13.859   2.178  -5.535
  322   1HH2  ARG  22          HH22      ARG  22 -16.143   3.781  -3.347
  323   2HH2  ARG  22          HH21      ARG  22 -16.025   2.398  -4.403
  324    H    GLY  23           HN       GLY  23 -10.020   4.425   1.128
  325   1HA   GLY  23           HA2      GLY  23  -8.894   3.910   3.294
  326   2HA   GLY  23           HA1      GLY  23 -10.127   2.681   3.601
  327    H    PHE  24           HN       PHE  24 -10.194   1.158   1.671
  328    HA   PHE  24           HA       PHE  24  -8.217   0.232   0.025
  329   1HB   PHE  24           HB2      PHE  24  -6.792  -1.363   1.326
  330   2HB   PHE  24           HB1      PHE  24  -6.501   0.274   1.814
  331    HD1  PHE  24           HD2      PHE  24  -9.635  -0.492   3.329
  332    HD2  PHE  24           HD1      PHE  24  -5.505  -1.442   3.615
  333    HE1  PHE  24           HE2      PHE  24  -9.952  -1.159   5.628
  334    HE2  PHE  24           HE1      PHE  24  -5.818  -2.120   5.931
  335    HZ   PHE  24           HZ       PHE  24  -8.047  -2.002   6.961
  336    H    PHE  25           HN       PHE  25  -8.161  -1.747  -0.679
  337    HA   PHE  25           HA       PHE  25 -10.293  -3.754   0.009
  338   1HB   PHE  25           HB2      PHE  25  -8.886  -3.161  -2.682
  339   2HB   PHE  25           HB1      PHE  25 -10.100  -4.393  -2.451
  340    HD1  PHE  25           HD2      PHE  25 -11.349  -1.641  -0.619
  341    HD2  PHE  25           HD1      PHE  25 -10.668  -2.957  -4.603
  342    HE1  PHE  25           HE2      PHE  25 -13.049  -0.088  -1.414
  343    HE2  PHE  25           HE1      PHE  25 -12.387  -1.402  -5.407
  344    HZ   PHE  25           HZ       PHE  25 -13.578   0.038  -3.815
  345    OH   TYR  26           OH       TYR  26  -1.027  -5.771   4.122
  346    H    TYR  26           HN       TYR  26  -8.591  -4.127   1.607
  347    HA   TYR  26           HA       TYR  26  -6.000  -5.195   0.713
  348   1HB   TYR  26           HB2      TYR  26  -6.579  -3.698   2.771
  349   2HB   TYR  26           HB1      TYR  26  -7.078  -5.182   3.539
  350    HD1  TYR  26           HD1      TYR  26  -5.284  -7.167   3.468
  351    HD2  TYR  26           HD2      TYR  26  -4.378  -3.059   2.887
  352    HE1  TYR  26           HE1      TYR  26  -2.928  -7.589   4.042
  353    HE2  TYR  26           HE2      TYR  26  -2.021  -3.506   3.479
  354    HH   TYR  26           HH       TYR  26  -1.031  -6.482   4.767
  355    H    THR  27           HN       THR  27  -5.281  -7.169   0.658
  356    HA   THR  27           HA       THR  27  -6.966  -9.468   1.598
  357    HB   THR  27           HB       THR  27  -6.512 -10.747  -0.488
  358    HG1  THR  27           HG1      THR  27  -5.440  -8.670  -1.835
  359   1HG2  THR  27          HG21      THR  27  -7.135  -7.845  -1.301
  360   2HG2  THR  27          HG23      THR  27  -7.517  -9.297  -2.219
  361   3HG2  THR  27          HG22      THR  27  -8.347  -8.957  -0.710
  362    HA   PRO  28           HA       PRO  28  -2.724 -11.100   1.602
  363   1HB   PRO  28           HB2      PRO  28  -3.983 -13.717   2.431
  364   2HB   PRO  28           HB1      PRO  28  -2.553 -12.915   3.075
  365   1HG   PRO  28           HG2      PRO  28  -4.783 -12.663   4.505
  366   2HG   PRO  28           HG1      PRO  28  -3.894 -11.174   4.158
  367   1HD   PRO  28           HD1      PRO  28  -6.272 -12.314   2.610
  368   2HD   PRO  28           HD2      PRO  28  -6.121 -10.697   3.325
  369    H    LYS  29           HN       LYS  29  -4.177 -10.972  -0.778
  370    HA   LYS  29           HA       LYS  29  -4.708 -12.437  -2.720
  371   1HB   LYS  29           HB2      LYS  29  -3.050 -11.347  -4.171
  372   2HB   LYS  29           HB1      LYS  29  -3.624 -10.244  -2.923
  373   1HG   LYS  29           HG2      LYS  29  -1.541 -11.136  -1.527
  374   2HG   LYS  29           HG1      LYS  29  -0.949 -11.714  -3.058
  375   1HD   LYS  29           HD2      LYS  29  -1.700  -8.834  -2.430
  376   2HD   LYS  29           HD1      LYS  29  -0.073  -9.460  -2.474
  377   1HE   LYS  29           HE2      LYS  29  -0.311  -9.986  -4.873
  378   2HE   LYS  29           HE1      LYS  29  -1.941  -9.303  -4.862
  379   1HZ   LYS  29           HZ1      LYS  29  -0.176  -7.516  -3.561
  380   2HZ   LYS  29           HZ3      LYS  29   0.546  -7.939  -4.967
  381   3HZ   LYS  29           HZ2      LYS  29  -0.943  -7.173  -5.008
  382    H    THR  30           HN       THR  30  -4.105 -14.649  -1.420
  383    HA   THR  30           HA       THR  30  -2.400 -16.487  -1.386
  384    HB   THR  30           HB       THR  30  -4.505 -16.971  -3.567
  385    HG1  THR  30           HG1      THR  30  -5.188 -17.553  -1.036
  386   1HG2  THR  30          HG21      THR  30  -3.518 -18.629  -1.158
  387   2HG2  THR  30          HG23      THR  30  -4.651 -19.159  -2.397
  388   3HG2  THR  30          HG22      THR  30  -2.961 -18.934  -2.790
   
  Start of MODEL          15
 Raw file had  388 H/Q atoms
  Start of MODEL   15
    1    H    GLY   1           HN       GLY   1  -1.549  -7.382  -4.867
    2   1HA   GLY   1           HA2      GLY   1  -2.216  -5.281  -5.909
    3   2HA   GLY   1           HA1      GLY   1  -3.425  -5.061  -4.651
    4    H    ILE   2           HN       ILE   2  -1.651  -5.783  -2.598
    5    HA   ILE   2           HA       ILE   2   0.286  -3.479  -2.571
    6    HB   ILE   2           HB       ILE   2  -1.927  -3.152  -1.213
    7   1HG1  ILE   2          HG12      ILE   2   0.895  -2.771  -0.106
    8   2HG1  ILE   2          HG11      ILE   2  -0.095  -1.619  -0.955
    9   1HG2  ILE   2          HG22      ILE   2  -1.893  -5.404  -0.039
   10   2HG2  ILE   2          HG21      ILE   2  -0.432  -4.891   0.821
   11   3HG2  ILE   2          HG23      ILE   2  -1.939  -4.035   1.052
   12   1HD1  ILE   2           HD2      ILE   2  -1.693  -1.548   0.995
   13   2HD1  ILE   2           HD1      ILE   2  -0.653  -2.636   1.882
   14   3HD1  ILE   2           HD3      ILE   2  -0.072  -1.064   1.431
   15    H    VAL   3           HN       VAL   3  -0.334  -6.577  -0.931
   16    HA   VAL   3           HA       VAL   3   2.141  -6.677   0.466
   17    HB   VAL   3           HB       VAL   3   1.805  -9.209   0.443
   18   1HG1  VAL   3          HG11      VAL   3  -0.722  -7.555   0.933
   19   2HG1  VAL   3          HG13      VAL   3  -0.423  -9.165   1.570
   20   3HG1  VAL   3          HG12      VAL   3   0.576  -7.820   2.078
   21   1HG2  VAL   3          HG22      VAL   3  -0.527  -8.574  -1.446
   22   2HG2  VAL   3          HG21      VAL   3   0.907  -9.490  -1.847
   23   3HG2  VAL   3          HG23      VAL   3  -0.224 -10.130  -0.690
   24    H    GLU   4           HN       GLU   4   1.543  -7.907  -2.798
   25    HA   GLU   4           HA       GLU   4   4.342  -8.607  -3.117
   26   1HB   GLU   4           HB2      GLU   4   3.252  -8.368  -5.724
   27   2HB   GLU   4           HB1      GLU   4   3.289  -9.835  -4.784
   28   1HG   GLU   4           HG2      GLU   4   1.022  -9.488  -5.660
   29   2HG   GLU   4           HG1      GLU   4   0.934  -9.337  -3.939
   30    H    GLN   5           HN       GLN   5   2.413  -6.195  -4.868
   31    HA   GLN   5           HA       GLN   5   4.426  -4.575  -5.946
   32   1HB   GLN   5           HB2      GLN   5   1.896  -3.454  -4.629
   33   2HB   GLN   5           HB1      GLN   5   2.798  -2.726  -5.946
   34   1HG   GLN   5           HG2      GLN   5   0.958  -5.136  -6.009
   35   2HG   GLN   5           HG1      GLN   5   0.904  -3.715  -7.004
   36   1HE2  GLN   5          HE21      GLN   5   2.493  -6.784  -8.641
   37   2HE2  GLN   5          HE22      GLN   5   1.284  -6.779  -7.433
   38    H    CYS   6           HN       CYS   6   3.402  -4.397  -2.617
   39    HA   CYS   6           HA       CYS   6   5.540  -2.372  -2.103
   40   1HB   CYS   6           HB2      CYS   6   3.114  -1.775  -1.693
   41   2HB   CYS   6           HB1      CYS   6   3.122  -2.976  -0.432
   42    HG   CYS   6           HG1      CYS   6   4.561  -1.577   1.032
   43    H    CYS   7           HN       CYS   7   4.440  -5.381  -0.739
   44    HA   CYS   7           HA       CYS   7   6.603  -5.124   1.326
   45   1HB   CYS   7           HB2      CYS   7   4.341  -5.499   2.022
   46   2HB   CYS   7           HB1      CYS   7   4.162  -6.901   1.052
   47    HG   CYS   7           HG1      CYS   7   5.388  -8.313   2.761
   48    H    THR   8           HN       THR   8   6.208  -6.626  -1.639
   49    HA   THR   8           HA       THR   8   8.540  -8.500  -1.088
   50    HB   THR   8           HB       THR   8   6.229  -9.701  -1.784
   51    HG1  THR   8           HG1      THR   8   8.889  -9.874  -2.727
   52   1HG2  THR   8          HG22      THR   8   6.124  -8.363  -4.140
   53   2HG2  THR   8          HG21      THR   8   7.605  -9.211  -4.504
   54   3HG2  THR   8          HG23      THR   8   6.148 -10.119  -4.188
   55    H    SER   9           HN       SER   9   7.057  -6.291  -3.176
   56    HA   SER   9           HA       SER   9   9.447  -5.979  -4.967
   57   1HB   SER   9           HB2      SER   9   7.214  -6.627  -6.078
   58   2HB   SER   9           HB1      SER   9   6.540  -5.110  -5.453
   59    HG   SER   9           HG1      SER   9   7.600  -4.985  -7.647
   60    H    ILE  10           HN       ILE  10   8.284  -3.339  -5.751
   61    HA   ILE  10           HA       ILE  10   8.776  -1.786  -3.263
   62    HB   ILE  10           HB       ILE  10  10.147  -1.423  -5.930
   63   1HG1  ILE  10          HG12      ILE  10  10.860  -1.846  -2.991
   64   2HG1  ILE  10          HG11      ILE  10  11.382  -2.747  -4.377
   65   1HG2  ILE  10          HG21      ILE  10   9.805   0.608  -3.686
   66   2HG2  ILE  10          HG23      ILE  10  10.887   0.856  -5.047
   67   3HG2  ILE  10          HG22      ILE  10   9.162   0.825  -5.299
   68   1HD1  ILE  10           HD2      ILE  10  12.849  -0.807  -5.093
   69   2HD1  ILE  10           HD1      ILE  10  12.320   0.104  -3.696
   70   3HD1  ILE  10           HD3      ILE  10  13.255  -1.348  -3.470
   71    H    CYS  11           HN       CYS  11   7.399  -0.538  -2.841
   72    HA   CYS  11           HA       CYS  11   5.398   0.447  -4.735
   73   1HB   CYS  11           HB2      CYS  11   3.913   0.702  -2.824
   74   2HB   CYS  11           HB1      CYS  11   4.529  -0.909  -3.030
   75    HG   CYS  11           HG1      CYS  11   5.164   1.005  -0.670
   76    H    SER  12           HN       SER  12   5.016   2.111  -5.043
   77    HA   SER  12           HA       SER  12   6.069   4.643  -3.851
   78   1HB   SER  12           HB2      SER  12   4.888   4.415  -6.613
   79   2HB   SER  12           HB1      SER  12   5.861   5.740  -5.988
   80    HG   SER  12           HG1      SER  12   7.651   4.435  -5.913
   81    H    LEU  13           HN       LEU  13   4.394   6.544  -4.149
   82    HA   LEU  13           HA       LEU  13   2.021   5.910  -2.651
   83   1HB   LEU  13           HB2      LEU  13   3.242   8.274  -3.627
   84   2HB   LEU  13           HB1      LEU  13   1.912   8.104  -4.755
   85    HG   LEU  13           HG       LEU  13   0.325   7.970  -2.838
   86   1HD1  LEU  13          HD11      LEU  13   2.820   8.883  -1.292
   87   2HD1  LEU  13          HD13      LEU  13   1.190   8.812  -0.647
   88   3HD1  LEU  13          HD12      LEU  13   2.027   7.332  -1.066
   89   1HD2  LEU  13          HD22      LEU  13   2.093  10.453  -3.081
   90   2HD2  LEU  13          HD21      LEU  13   0.733  10.013  -4.111
   91   3HD2  LEU  13          HD23      LEU  13   0.458  10.412  -2.430
   92    OH   TYR  14           OH       TYR  14   6.664   7.554  -8.030
   93    H    TYR  14           HN       TYR  14   2.332   6.490  -6.011
   94    HA   TYR  14           HA       TYR  14  -0.191   5.491  -6.817
   95   1HB   TYR  14           HB2      TYR  14   1.332   4.742  -8.998
   96   2HB   TYR  14           HB1      TYR  14   0.756   6.366  -8.696
   97    HD1  TYR  14           HD2      TYR  14   2.219   7.958  -7.451
   98    HD2  TYR  14           HD1      TYR  14   3.674   4.324  -9.085
   99    HE1  TYR  14           HE2      TYR  14   4.538   8.813  -7.321
  100    HE2  TYR  14           HE1      TYR  14   5.965   5.166  -8.954
  101    HH   TYR  14           HH       TYR  14   7.205   7.051  -8.644
  102    H    GLN  15           HN       GLN  15   2.721   3.382  -6.036
  103    HA   GLN  15           HA       GLN  15   1.143   1.191  -7.048
  104   1HB   GLN  15           HB2      GLN  15   3.352   1.212  -4.928
  105   2HB   GLN  15           HB1      GLN  15   2.552  -0.297  -5.307
  106   1HG   GLN  15           HG2      GLN  15   4.479  -0.424  -6.760
  107   2HG   GLN  15           HG1      GLN  15   3.235   0.199  -7.830
  108   1HE2  GLN  15          HE21      GLN  15   6.392   2.413  -7.142
  109   2HE2  GLN  15          HE22      GLN  15   6.339   0.744  -6.787
  110    H    LEU  16           HN       LEU  16   1.292   2.616  -4.069
  111    HA   LEU  16           HA       LEU  16  -0.459   0.800  -2.769
  112   1HB   LEU  16           HB2      LEU  16   0.270   3.706  -2.085
  113   2HB   LEU  16           HB1      LEU  16  -0.507   2.624  -0.955
  114    HG   LEU  16           HG       LEU  16   2.307   2.380  -2.148
  115   1HD1  LEU  16          HD12      LEU  16   2.104   3.712  -0.078
  116   2HD1  LEU  16          HD11      LEU  16   1.324   2.357   0.724
  117   3HD1  LEU  16          HD13      LEU  16   2.992   2.226   0.214
  118   1HD2  LEU  16          HD22      LEU  16   0.821   0.250  -0.532
  119   2HD2  LEU  16          HD21      LEU  16   1.347   0.057  -2.192
  120   3HD2  LEU  16          HD23      LEU  16   2.525   0.202  -0.918
  121    H    GLU  17           HN       GLU  17  -0.883   3.758  -4.553
  122    HA   GLU  17           HA       GLU  17  -3.722   4.139  -4.159
  123   1HB   GLU  17           HB2      GLU  17  -2.055   4.715  -6.663
  124   2HB   GLU  17           HB1      GLU  17  -3.622   5.414  -6.338
  125   1HG   GLU  17           HG2      GLU  17  -2.848   6.658  -4.461
  126   2HG   GLU  17           HG1      GLU  17  -1.381   5.750  -4.298
  127    H    ASN  18           HN       ASN  18  -2.046   2.415  -6.611
  128    HA   ASN  18           HA       ASN  18  -4.074   1.336  -8.187
  129   1HB   ASN  18           HB2      ASN  18  -1.503   0.134  -7.134
  130   2HB   ASN  18           HB1      ASN  18  -2.406  -0.622  -8.436
  131   1HD2  ASN  18          HD21      ASN  18  -1.217   2.932  -9.739
  132   2HD2  ASN  18          HD22      ASN  18  -2.428   2.872  -8.546
  133    OH   TYR  19           OH       TYR  19  -3.766   0.099   1.191
  134    H    TYR  19           HN       TYR  19  -3.359   0.282  -4.961
  135    HA   TYR  19           HA       TYR  19  -5.569  -1.759  -5.148
  136   1HB   TYR  19           HB2      TYR  19  -4.218  -3.263  -3.812
  137   2HB   TYR  19           HB1      TYR  19  -2.880  -2.241  -4.378
  138    HD1  TYR  19           HD2      TYR  19  -5.277  -2.850  -1.729
  139    HD2  TYR  19           HD1      TYR  19  -2.040  -0.454  -2.983
  140    HE1  TYR  19           HE2      TYR  19  -5.262  -1.735   0.464
  141    HE2  TYR  19           HE1      TYR  19  -2.016   0.666  -0.810
  142    HH   TYR  19           HH       TYR  19  -2.864   0.214   1.495
  143    H    CYS  20           HN       CYS  20  -4.441   0.901  -3.009
  144    HA   CYS  20           HA       CYS  20  -6.255   0.673  -0.796
  145   1HB   CYS  20           HB2      CYS  20  -4.116   2.103  -1.124
  146   2HB   CYS  20           HB1      CYS  20  -5.219   3.341  -1.652
  147    HG   CYS  20           HG1      CYS  20  -4.957   2.166   1.107
  148    H    ASN  21           HN       ASN  21  -7.477   0.685  -3.679
  149    HA   ASN  21           HA       ASN  21  -9.699   2.583  -3.258
  150   1HB   ASN  21           HB2      ASN  21  -9.928   2.329  -5.780
  151   2HB   ASN  21           HB1      ASN  21  -8.323   2.878  -5.322
  152   1HD2  ASN  21          HD21      ASN  21  -6.897  -0.028  -6.635
  153   2HD2  ASN  21          HD22      ASN  21  -6.554   1.472  -5.907
  154    H    PHE   1           HN       PHE   1   9.097   9.758   2.648
  155    HA   PHE   1           HA       PHE   1   6.706   9.419   1.147
  156   1HB   PHE   1           HB2      PHE   1   8.022  11.105  -0.288
  157   2HB   PHE   1           HB1      PHE   1   9.221   9.863  -0.544
  158    HD1  PHE   1           HD2      PHE   1   5.825  10.957  -1.353
  159    HD2  PHE   1           HD1      PHE   1   8.730   7.945  -2.023
  160    HE1  PHE   1           HE2      PHE   1   4.526  10.146  -3.269
  161    HE2  PHE   1           HE1      PHE   1   7.436   7.109  -3.945
  162    HZ   PHE   1           HZ       PHE   1   5.333   8.221  -4.581
  163    H    VAL   2           HN       VAL   2   7.141   7.419  -0.470
  164    HA   VAL   2           HA       VAL   2   8.457   5.357   1.051
  165    HB   VAL   2           HB       VAL   2   6.755   3.826  -0.051
  166   1HG1  VAL   2          HG12      VAL   2   6.225   4.903   2.122
  167   2HG1  VAL   2          HG11      VAL   2   5.570   6.298   1.291
  168   3HG1  VAL   2          HG13      VAL   2   4.785   4.736   1.135
  169   1HG2  VAL   2          HG21      VAL   2   6.496   5.299  -2.097
  170   2HG2  VAL   2          HG23      VAL   2   4.945   4.896  -1.365
  171   3HG2  VAL   2          HG22      VAL   2   5.643   6.490  -1.136
  172    H    ASN   3           HN       ASN   3   8.166   3.579  -1.062
  173    HA   ASN   3           HA       ASN   3   9.003   2.998  -3.340
  174   1HB   ASN   3           HB2      ASN   3  11.243   4.985  -2.680
  175   2HB   ASN   3           HB1      ASN   3  11.181   3.984  -4.107
  176   1HD2  ASN   3          HD21      ASN   3   9.371   7.388  -4.399
  177   2HD2  ASN   3          HD22      ASN   3  10.547   7.048  -3.206
  178    H    GLN   4           HN       GLN   4   9.151   1.416  -1.179
  179    HA   GLN   4           HA       GLN   4  11.500  -0.212  -1.695
  180   1HB   GLN   4           HB2      GLN   4  12.232  -0.188   0.790
  181   2HB   GLN   4           HB1      GLN   4  12.513   1.290  -0.061
  182   1HG   GLN   4           HG2      GLN   4   9.938   0.869   1.578
  183   2HG   GLN   4           HG1      GLN   4  11.377   1.556   2.298
  184   1HE2  GLN   4          HE21      GLN   4  10.939   4.337  -0.187
  185   2HE2  GLN   4          HE22      GLN   4  12.089   3.086  -0.202
  186    H    HIS   5           HN       HIS   5  11.141  -1.559   0.763
  187    HA   HIS   5           HA       HIS   5   8.742  -3.196   0.195
  188   1HB   HIS   5           HB2      HIS   5  11.003  -4.072   2.012
  189   2HB   HIS   5           HB1      HIS   5   9.940  -5.052   1.022
  190    HD1  HIS   5           HD1      HIS   5  10.352  -4.130  -1.696
  191    HD2  HIS   5           HD2      HIS   5  13.466  -4.154   0.931
  192    HE1  HIS   5           HE1      HIS   5  12.431  -4.160  -3.064
  193    H    LEU   6           HN       LEU   6   7.191  -2.226   1.309
  194    HA   LEU   6           HA       LEU   6   7.439  -1.898   4.312
  195   1HB   LEU   6           HB2      LEU   6   5.325  -0.607   2.518
  196   2HB   LEU   6           HB1      LEU   6   5.686  -0.163   4.172
  197    HG   LEU   6           HG       LEU   6   7.567   0.106   1.852
  198   1HD1  LEU   6          HD11      LEU   6   5.945   2.209   3.362
  199   2HD1  LEU   6          HD13      LEU   6   7.132   2.565   2.120
  200   3HD1  LEU   6          HD12      LEU   6   5.666   1.699   1.705
  201   1HD2  LEU   6          HD22      LEU   6   7.760   1.117   4.719
  202   2HD2  LEU   6          HD21      LEU   6   8.774  -0.121   4.005
  203   3HD2  LEU   6          HD23      LEU   6   8.880   1.538   3.449
  204    H    CYS   7           HN       CYS   7   5.836  -2.886   5.549
  205    HA   CYS   7           HA       CYS   7   3.932  -4.704   4.040
  206   1HB   CYS   7           HB2      CYS   7   6.154  -5.659   4.927
  207   2HB   CYS   7           HB1      CYS   7   5.387  -5.674   6.492
  208    HG   CYS   7           HG1      CYS   7   3.894  -7.574   5.751
  209    H    GLY   8           HN       GLY   8   4.355  -3.821   7.453
  210   1HA   GLY   8           HA2      GLY   8   1.360  -4.023   7.829
  211   2HA   GLY   8           HA1      GLY   8   2.565  -4.109   9.123
  212    H    ASP   9           HN       ASP   9   2.414  -2.502  10.359
  213    HA   ASP   9           HA       ASP   9   1.065  -0.169  10.251
  214   1HB   ASP   9           HB2      ASP   9   3.046   0.519  11.897
  215   2HB   ASP   9           HB1      ASP   9   2.245  -0.996  12.265
  216    H    HIS  10           HN       HIS  10   4.430  -0.202   9.548
  217    HA   HIS  10           HA       HIS  10   4.822   2.342   8.434
  218   1HB   HIS  10           HB2      HIS  10   6.413   0.457   9.162
  219   2HB   HIS  10           HB1      HIS  10   6.265  -0.181   7.532
  220    HD1  HIS  10           HD1      HIS  10   6.502   2.493   6.007
  221    HD2  HIS  10           HD2      HIS  10   8.923   1.485   9.117
  222    HE1  HIS  10           HE1      HIS  10   8.587   3.838   5.747
  223    H    LEU  11           HN       LEU  11   3.052  -0.019   6.983
  224    HA   LEU  11           HA       LEU  11   3.239   1.089   4.187
  225   1HB   LEU  11           HB2      LEU  11   3.635  -1.309   4.423
  226   2HB   LEU  11           HB1      LEU  11   2.126  -1.517   5.280
  227    HG   LEU  11           HG       LEU  11   0.815  -1.040   3.413
  228   1HD1  LEU  11          HD11      LEU  11   3.352   0.031   2.060
  229   2HD1  LEU  11          HD13      LEU  11   1.822  -0.169   1.244
  230   3HD1  LEU  11          HD12      LEU  11   1.980   0.998   2.524
  231   1HD2  LEU  11          HD21      LEU  11   1.993  -3.204   3.293
  232   2HD2  LEU  11          HD23      LEU  11   1.738  -2.560   1.688
  233   3HD2  LEU  11          HD22      LEU  11   3.309  -2.433   2.421
  234    H    VAL  12           HN       VAL  12   0.893  -0.027   6.606
  235    HA   VAL  12           HA       VAL  12  -1.461   1.144   5.468
  236    HB   VAL  12           HB       VAL  12  -1.720  -0.362   7.279
  237   1HG1  VAL  12          HG11      VAL  12  -0.360   1.801   8.964
  238   2HG1  VAL  12          HG13      VAL  12  -1.117   0.360   9.607
  239   3HG1  VAL  12          HG12      VAL  12   0.242   0.213   8.516
  240   1HG2  VAL  12          HG21      VAL  12  -3.442   1.453   6.946
  241   2HG2  VAL  12          HG23      VAL  12  -3.306   1.037   8.658
  242   3HG2  VAL  12          HG22      VAL  12  -2.531   2.475   8.036
  243    H    GLU  13           HN       GLU  13   0.886   2.711   7.619
  244    HA   GLU  13           HA       GLU  13  -0.226   5.148   8.199
  245   1HB   GLU  13           HB2      GLU  13   2.579   4.637   7.115
  246   2HB   GLU  13           HB1      GLU  13   2.075   6.128   7.906
  247   1HG   GLU  13           HG2      GLU  13   2.042   3.360   9.258
  248   2HG   GLU  13           HG1      GLU  13   3.142   4.657   9.610
  249    H    ALA  14           HN       ALA  14   0.788   4.112   5.097
  250    HA   ALA  14           HA       ALA  14   0.189   6.662   3.782
  251   1HB   ALA  14           HB2      ALA  14   2.140   5.110   3.040
  252   2HB   ALA  14           HB1      ALA  14   0.985   3.850   2.699
  253   3HB   ALA  14           HB3      ALA  14   1.022   5.290   1.699
  254    H    LEU  15           HN       LEU  15  -0.985   3.428   3.325
  255    HA   LEU  15           HA       LEU  15  -3.209   3.592   1.810
  256   1HB   LEU  15           HB2      LEU  15  -3.207   2.184   4.510
  257   2HB   LEU  15           HB1      LEU  15  -4.010   1.669   3.045
  258    HG   LEU  15           HG       LEU  15  -1.042   1.684   3.629
  259   1HD1  LEU  15          HD12      LEU  15  -2.196  -0.303   4.478
  260   2HD1  LEU  15          HD11      LEU  15  -2.830  -0.710   2.951
  261   3HD1  LEU  15          HD13      LEU  15  -1.114  -0.715   3.203
  262   1HD2  LEU  15          HD22      LEU  15  -2.125   1.602   0.882
  263   2HD2  LEU  15          HD21      LEU  15  -0.923   2.611   1.567
  264   3HD2  LEU  15          HD23      LEU  15  -0.552   0.933   1.331
  265    OH   TYR  16           OH       TYR  16  -2.373   3.617  11.358
  266    H    TYR  16           HN       TYR  16  -3.170   4.370   5.214
  267    HA   TYR  16           HA       TYR  16  -5.628   5.149   6.028
  268   1HB   TYR  16           HB2      TYR  16  -3.037   6.684   6.226
  269   2HB   TYR  16           HB1      TYR  16  -4.464   7.312   7.017
  270    HD1  TYR  16           HD2      TYR  16  -5.170   4.108   7.830
  271    HD2  TYR  16           HD1      TYR  16  -1.985   6.892   8.318
  272    HE1  TYR  16           HE2      TYR  16  -4.410   2.953   9.901
  273    HE2  TYR  16           HE1      TYR  16  -1.282   5.730  10.344
  274    HH   TYR  16           HH       TYR  16  -1.404   3.728  11.282
  275    H    LEU  17           HN       LEU  17  -3.733   7.257   4.069
  276    HA   LEU  17           HA       LEU  17  -6.132   8.901   3.332
  277   1HB   LEU  17           HB2      LEU  17  -3.155   9.605   3.122
  278   2HB   LEU  17           HB1      LEU  17  -4.482  10.668   2.715
  279    HG   LEU  17           HG       LEU  17  -5.193  10.044   5.291
  280   1HD1  LEU  17          HD12      LEU  17  -3.115   8.658   5.585
  281   2HD1  LEU  17          HD11      LEU  17  -2.139  10.056   5.214
  282   3HD1  LEU  17          HD13      LEU  17  -3.125  10.037   6.662
  283   1HD2  LEU  17          HD22      LEU  17  -3.148  12.155   4.460
  284   2HD2  LEU  17          HD21      LEU  17  -4.892  12.330   4.331
  285   3HD2  LEU  17          HD23      LEU  17  -4.138  12.207   5.909
  286    H    VAL  18           HN       VAL  18  -3.377   7.176   1.931
  287    HA   VAL  18           HA       VAL  18  -3.675   7.821  -0.822
  288    HB   VAL  18           HB       VAL  18  -3.116   5.099   0.455
  289   1HG1  VAL  18          HG12      VAL  18  -3.856   4.900  -1.985
  290   2HG1  VAL  18          HG11      VAL  18  -2.641   6.071  -2.414
  291   3HG1  VAL  18          HG13      VAL  18  -2.159   4.506  -1.809
  292   1HG2  VAL  18          HG21      VAL  18  -1.455   6.962   0.892
  293   2HG2  VAL  18          HG23      VAL  18  -0.756   5.713  -0.132
  294   3HG2  VAL  18          HG22      VAL  18  -1.324   7.210  -0.842
  295    H    CYS  19           HN       CYS  19  -5.461   5.417   0.988
  296    HA   CYS  19           HA       CYS  19  -7.091   4.273  -0.712
  297   1HB   CYS  19           HB2      CYS  19  -7.205   5.199   2.078
  298   2HB   CYS  19           HB1      CYS  19  -8.681   4.498   1.467
  299    HG   CYS  19           HG1      CYS  19  -7.557   2.208   1.484
  300    H    GLY  20           HN       GLY  20  -7.549   6.106  -2.401
  301   1HA   GLY  20           HA2      GLY  20 -10.133   7.453  -1.932
  302   2HA   GLY  20           HA1      GLY  20  -9.000   7.744  -3.292
  303    H    GLU  21           HN       GLU  21 -11.290   7.133  -4.031
  304    HA   GLU  21           HA       GLU  21 -12.862   5.527  -5.112
  305   1HB   GLU  21           HB2      GLU  21 -10.189   4.471  -5.897
  306   2HB   GLU  21           HB1      GLU  21 -11.646   4.446  -6.885
  307   1HG   GLU  21           HG2      GLU  21  -9.738   6.798  -6.197
  308   2HG   GLU  21           HG1      GLU  21 -10.430   6.460  -7.762
  309    NH1  ARG  22           NH1      ARG  22 -11.322   1.779   3.507
  310    NH2  ARG  22           NH2      ARG  22  -9.712   3.304   3.563
  311    H    ARG  22           HN       ARG  22 -12.101   4.983  -2.599
  312    HA   ARG  22           HA       ARG  22 -11.320   2.397  -2.151
  313   1HB   ARG  22           HB2      ARG  22 -10.388   4.098  -1.123
  314   2HB   ARG  22           HB1      ARG  22 -11.867   4.867  -0.650
  315   1HG   ARG  22           HG2      ARG  22 -11.083   4.097   1.357
  316   2HG   ARG  22           HG1      ARG  22 -12.165   2.773   0.958
  317   1HD   ARG  22           HD2      ARG  22 -10.170   1.589  -0.152
  318   2HD   ARG  22           HD1      ARG  22  -9.264   2.999   0.251
  319    HE   ARG  22           HE       ARG  22  -9.126   1.112   2.154
  320   1HH1  ARG  22          HH12      ARG  22 -11.687   0.995   3.004
  321   2HH1  ARG  22          HH11      ARG  22 -11.767   2.108   4.324
  322   1HH2  ARG  22          HH22      ARG  22  -8.900   3.624   3.084
  323   2HH2  ARG  22          HH21      ARG  22 -10.030   3.752   4.385
  324    H    GLY  23           HN       GLY  23 -11.592   1.172  -1.111
  325   1HA   GLY  23           HA2      GLY  23 -13.945  -0.060   0.260
  326   2HA   GLY  23           HA1      GLY  23 -13.056  -1.000  -0.966
  327    H    PHE  24           HN       PHE  24 -10.714  -0.738  -0.709
  328    HA   PHE  24           HA       PHE  24  -8.649  -0.424   0.662
  329   1HB   PHE  24           HB2      PHE  24 -10.222  -0.360   2.929
  330   2HB   PHE  24           HB1      PHE  24  -9.951  -2.063   2.913
  331    HD1  PHE  24           HD2      PHE  24  -6.864  -0.618   1.699
  332    HD2  PHE  24           HD1      PHE  24  -9.195  -1.091   5.258
  333    HE1  PHE  24           HE2      PHE  24  -4.922  -0.238   3.055
  334    HE2  PHE  24           HE1      PHE  24  -7.205  -0.695   6.590
  335    HZ   PHE  24           HZ       PHE  24  -5.052  -0.265   5.497
  336    H    PHE  25           HN       PHE  25  -8.166  -1.954  -1.202
  337    HA   PHE  25           HA       PHE  25  -8.576  -4.811  -0.672
  338   1HB   PHE  25           HB2      PHE  25  -7.023  -3.358  -2.869
  339   2HB   PHE  25           HB1      PHE  25  -7.573  -5.017  -2.927
  340    HD1  PHE  25           HD2      PHE  25 -10.391  -4.332  -1.546
  341    HD2  PHE  25           HD1      PHE  25  -8.226  -2.705  -4.835
  342    HE1  PHE  25           HE2      PHE  25 -12.479  -3.573  -2.548
  343    HE2  PHE  25           HE1      PHE  25 -10.324  -1.956  -5.833
  344    HZ   PHE  25           HZ       PHE  25 -12.456  -2.378  -4.699
  345    OH   TYR  26           OH       TYR  26  -0.617  -4.701   6.375
  346    H    TYR  26           HN       TYR  26  -7.204  -4.069   1.437
  347    HA   TYR  26           HA       TYR  26  -4.376  -5.027   1.053
  348   1HB   TYR  26           HB2      TYR  26  -4.564  -2.796   2.121
  349   2HB   TYR  26           HB1      TYR  26  -5.708  -3.405   3.291
  350    HD1  TYR  26           HD2      TYR  26  -2.671  -5.413   2.425
  351    HD2  TYR  26           HD1      TYR  26  -4.389  -2.596   5.109
  352    HE1  TYR  26           HE2      TYR  26  -0.844  -5.816   4.035
  353    HE2  TYR  26           HE1      TYR  26  -2.545  -3.034   6.704
  354    HH   TYR  26           HH       TYR  26   0.241  -4.536   5.951
  355    H    THR  27           HN       THR  27  -6.519  -6.815   1.004
  356    HA   THR  27           HA       THR  27  -5.824  -8.638   3.291
  357    HB   THR  27           HB       THR  27  -8.699  -7.897   2.606
  358    HG1  THR  27           HG1      THR  27  -8.218  -6.684   4.285
  359   1HG2  THR  27          HG21      THR  27  -7.543  -9.668   4.833
  360   2HG2  THR  27          HG23      THR  27  -9.226  -9.330   4.518
  361   3HG2  THR  27          HG22      THR  27  -8.334 -10.379   3.437
  362    HA   PRO  28           HA       PRO  28  -3.410 -10.392   1.028
  363   1HB   PRO  28           HB2      PRO  28  -3.985  -7.459   0.478
  364   2HB   PRO  28           HB1      PRO  28  -2.510  -8.364   0.121
  365   1HG   PRO  28           HG2      PRO  28  -4.278  -8.224  -1.839
  366   2HG   PRO  28           HG1      PRO  28  -3.667  -9.833  -1.457
  367   1HD   PRO  28           HD1      PRO  28  -6.343  -8.614  -0.728
  368   2HD   PRO  28           HD2      PRO  28  -5.976 -10.289  -1.162
  369    H    LYS  29           HN       LYS  29  -4.455 -10.812   3.344
  370    HA   LYS  29           HA       LYS  29  -2.962  -8.984   5.167
  371   1HB   LYS  29           HB2      LYS  29  -5.536  -8.656   5.349
  372   2HB   LYS  29           HB1      LYS  29  -5.640 -10.336   5.789
  373   1HG   LYS  29           HG2      LYS  29  -5.689  -9.302   7.876
  374   2HG   LYS  29           HG1      LYS  29  -4.021  -9.766   7.780
  375   1HD   LYS  29           HD2      LYS  29  -5.202  -6.966   7.417
  376   2HD   LYS  29           HD1      LYS  29  -4.136  -7.512   8.672
  377   1HE   LYS  29           HE2      LYS  29  -2.715  -6.217   7.340
  378   2HE   LYS  29           HE1      LYS  29  -2.360  -7.847   6.801
  379   1HZ   LYS  29           HZ1      LYS  29  -4.643  -6.929   5.345
  380   2HZ   LYS  29           HZ3      LYS  29  -3.537  -5.715   5.272
  381   3HZ   LYS  29           HZ2      LYS  29  -3.166  -7.207   4.682
  382    H    THR  30           HN       THR  30  -4.139 -12.078   4.932
  383    HA   THR  30           HA       THR  30  -2.174 -13.161   6.937
  384    HB   THR  30           HB       THR  30  -3.726 -15.203   6.972
  385    HG1  THR  30           HG1      THR  30  -5.065 -15.181   5.318
  386   1HG2  THR  30          HG21      THR  30  -5.324 -12.585   7.079
  387   2HG2  THR  30          HG23      THR  30  -5.708 -14.083   7.897
  388   3HG2  THR  30          HG22      THR  30  -4.343 -13.117   8.438
   
  Start of MODEL          16
 Raw file had  388 H/Q atoms
  Start of MODEL   16
    1    H    GLY   1           HN       GLY   1  -4.850  -6.291  -1.852
    2   1HA   GLY   1           HA2      GLY   1  -2.723  -6.230  -3.945
    3   2HA   GLY   1           HA1      GLY   1  -3.902  -4.966  -3.648
    4    H    ILE   2           HN       ILE   2  -1.530  -4.140  -3.951
    5    HA   ILE   2           HA       ILE   2   0.081  -2.593  -3.029
    6    HB   ILE   2           HB       ILE   2  -0.864  -3.310  -0.159
    7   1HG1  ILE   2          HG12      ILE   2  -2.214  -1.028  -1.578
    8   2HG1  ILE   2          HG11      ILE   2  -2.911  -2.634  -1.715
    9   1HG2  ILE   2          HG21      ILE   2   0.106  -0.747  -1.466
   10   2HG2  ILE   2          HG23      ILE   2  -0.301  -0.927   0.217
   11   3HG2  ILE   2          HG22      ILE   2   1.078  -1.781  -0.426
   12   1HD1  ILE   2           HD2      ILE   2  -2.931  -2.806   0.791
   13   2HD1  ILE   2           HD1      ILE   2  -2.339  -1.161   0.903
   14   3HD1  ILE   2           HD3      ILE   2  -3.915  -1.488   0.212
   15    H    VAL   3           HN       VAL   3  -0.467  -4.990  -0.824
   16    HA   VAL   3           HA       VAL   3   1.706  -5.772   0.406
   17    HB   VAL   3           HB       VAL   3  -0.748  -6.501   0.335
   18   1HG1  VAL   3          HG12      VAL   3  -0.857  -6.960  -2.097
   19   2HG1  VAL   3          HG11      VAL   3   0.171  -8.355  -1.901
   20   3HG1  VAL   3          HG13      VAL   3  -1.437  -8.326  -1.184
   21   1HG2  VAL   3          HG22      VAL   3   1.129  -8.734   0.384
   22   2HG2  VAL   3          HG21      VAL   3   0.704  -7.732   1.777
   23   3HG2  VAL   3          HG23      VAL   3  -0.519  -8.756   1.006
   24    H    GLU   4           HN       GLU   4   3.095  -7.646   0.421
   25    HA   GLU   4           HA       GLU   4   5.187  -8.324  -0.214
   26   1HB   GLU   4           HB2      GLU   4   3.164  -9.482  -2.170
   27   2HB   GLU   4           HB1      GLU   4   4.845  -9.900  -2.428
   28   1HG   GLU   4           HG2      GLU   4   3.967 -11.625  -0.949
   29   2HG   GLU   4           HG1      GLU   4   4.918 -10.599   0.097
   30    H    GLN   5           HN       GLN   5   4.174  -6.020  -2.240
   31    HA   GLN   5           HA       GLN   5   6.830  -5.777  -3.621
   32   1HB   GLN   5           HB2      GLN   5   4.034  -5.044  -4.726
   33   2HB   GLN   5           HB1      GLN   5   5.565  -4.929  -5.593
   34   1HG   GLN   5           HG2      GLN   5   5.818  -7.500  -5.344
   35   2HG   GLN   5           HG1      GLN   5   4.222  -7.536  -4.641
   36   1HE2  GLN   5          HE21      GLN   5   3.411  -6.340  -8.230
   37   2HE2  GLN   5          HE22      GLN   5   3.817  -5.254  -6.970
   38    H    CYS   6           HN       CYS   6   3.834  -4.073  -2.588
   39    HA   CYS   6           HA       CYS   6   5.493  -1.667  -2.049
   40   1HB   CYS   6           HB2      CYS   6   2.532  -2.055  -1.768
   41   2HB   CYS   6           HB1      CYS   6   3.420  -0.646  -2.265
   42    HG   CYS   6           HG1      CYS   6   2.650  -3.045  -4.078
   43    H    CYS   7           HN       CYS   7   5.316  -4.257  -0.683
   44    HA   CYS   7           HA       CYS   7   5.392  -3.292   2.098
   45   1HB   CYS   7           HB2      CYS   7   3.258  -4.247   1.729
   46   2HB   CYS   7           HB1      CYS   7   3.865  -5.557   0.787
   47    HG   CYS   7           HG1      CYS   7   4.522  -6.811   2.920
   48    H    THR   8           HN       THR   8   6.502  -5.396  -0.461
   49    HA   THR   8           HA       THR   8   9.009  -5.963   1.080
   50    HB   THR   8           HB       THR   8   7.943  -8.202  -0.722
   51    HG1  THR   8           HG1      THR   8   7.248  -8.619   1.749
   52   1HG2  THR   8          HG21      THR   8   9.267  -8.099   2.029
   53   2HG2  THR   8          HG23      THR   8   9.038  -9.520   1.014
   54   3HG2  THR   8          HG22      THR   8  10.194  -8.285   0.548
   55    H    SER   9           HN       SER   9   7.807  -6.590  -2.157
   56    HA   SER   9           HA       SER   9  10.424  -5.997  -3.419
   57   1HB   SER   9           HB2      SER   9   7.948  -7.016  -4.885
   58   2HB   SER   9           HB1      SER   9   9.647  -7.179  -5.328
   59    HG   SER   9           HG1      SER   9   8.211  -8.386  -3.254
   60    H    ILE  10           HN       ILE  10  10.452  -3.908  -3.209
   61    HA   ILE  10           HA       ILE  10   9.567  -1.624  -3.453
   62    HB   ILE  10           HB       ILE  10  11.465  -2.541  -5.657
   63   1HG1  ILE  10          HG12      ILE  10  11.813  -1.336  -2.845
   64   2HG1  ILE  10          HG11      ILE  10  12.165  -2.994  -3.274
   65   1HG2  ILE  10          HG22      ILE  10  10.538  -0.176  -6.129
   66   2HG2  ILE  10          HG21      ILE  10  11.123   0.302  -4.543
   67   3HG2  ILE  10          HG23      ILE  10  12.238  -0.188  -5.784
   68   1HD1  ILE  10           HD2      ILE  10  13.973  -2.161  -4.851
   69   2HD1  ILE  10           HD1      ILE  10  13.635  -0.521  -4.320
   70   3HD1  ILE  10           HD3      ILE  10  14.270  -1.679  -3.186
   71    H    CYS  11           HN       CYS  11   7.514  -1.470  -3.794
   72    HA   CYS  11           HA       CYS  11   6.610  -0.475  -6.459
   73   1HB   CYS  11           HB2      CYS  11   6.113  -2.814  -6.212
   74   2HB   CYS  11           HB1      CYS  11   5.542  -2.572  -4.604
   75    HG   CYS  11           HG1      CYS  11   3.800  -2.478  -7.084
   76    H    SER  12           HN       SER  12   6.645   1.862  -5.589
   77    HA   SER  12           HA       SER  12   4.703   2.353  -3.354
   78   1HB   SER  12           HB2      SER  12   6.067   4.186  -2.584
   79   2HB   SER  12           HB1      SER  12   6.624   2.531  -2.394
   80    HG   SER  12           HG1      SER  12   7.377   3.509  -4.875
   81    H    LEU  13           HN       LEU  13   2.968   3.367  -3.937
   82    HA   LEU  13           HA       LEU  13   1.628   5.360  -3.667
   83   1HB   LEU  13           HB2      LEU  13   3.714   6.845  -4.105
   84   2HB   LEU  13           HB1      LEU  13   3.557   6.515  -5.803
   85    HG   LEU  13           HG       LEU  13   1.234   7.550  -5.751
   86   1HD1  LEU  13          HD11      LEU  13   2.156   8.352  -2.947
   87   2HD1  LEU  13          HD13      LEU  13   0.711   8.929  -3.751
   88   3HD1  LEU  13          HD12      LEU  13   0.828   7.256  -3.270
   89   1HD2  LEU  13          HD22      LEU  13   3.562   9.235  -4.730
   90   2HD2  LEU  13          HD21      LEU  13   3.292   8.805  -6.405
   91   3HD2  LEU  13          HD23      LEU  13   2.150   9.843  -5.575
   92    OH   TYR  14           OH       TYR  14   7.509   2.964  -6.810
   93    H    TYR  14           HN       TYR  14   3.001   4.655  -6.546
   94    HA   TYR  14           HA       TYR  14   0.627   4.876  -8.276
   95   1HB   TYR  14           HB2      TYR  14   2.130   3.092  -9.723
   96   2HB   TYR  14           HB1      TYR  14   2.471   4.807  -9.729
   97    HD1  TYR  14           HD1      TYR  14   4.237   5.720  -8.228
   98    HD2  TYR  14           HD2      TYR  14   3.662   1.529  -8.678
   99    HE1  TYR  14           HE1      TYR  14   6.437   5.310  -7.219
  100    HE2  TYR  14           HE2      TYR  14   5.885   1.147  -7.671
  101    HH   TYR  14           HH       TYR  14   8.149   3.293  -7.453
  102    H    GLN  15           HN       GLN  15   1.756   2.513  -6.159
  103    HA   GLN  15           HA       GLN  15  -0.440   0.709  -7.124
  104   1HB   GLN  15           HB2      GLN  15   1.137  -1.114  -6.042
  105   2HB   GLN  15           HB1      GLN  15   1.800  -0.310  -7.454
  106   1HG   GLN  15           HG2      GLN  15   3.468  -0.272  -5.513
  107   2HG   GLN  15           HG1      GLN  15   3.067   1.314  -5.989
  108   1HE2  GLN  15          HE21      GLN  15   1.326   0.137  -2.554
  109   2HE2  GLN  15          HE22      GLN  15   1.176  -0.917  -3.882
  110    H    LEU  16           HN       LEU  16  -0.365   2.866  -5.072
  111    HA   LEU  16           HA       LEU  16  -1.511   1.340  -2.902
  112   1HB   LEU  16           HB2      LEU  16  -0.251   4.133  -3.126
  113   2HB   LEU  16           HB1      LEU  16  -1.356   3.822  -1.808
  114    HG   LEU  16           HG       LEU  16   0.777   1.791  -2.403
  115   1HD1  LEU  16          HD11      LEU  16   1.160   4.238  -0.696
  116   2HD1  LEU  16          HD13      LEU  16   2.233   2.836  -0.725
  117   3HD1  LEU  16          HD12      LEU  16   2.048   3.830  -2.148
  118   1HD2  LEU  16          HD22      LEU  16  -0.635   2.578   0.157
  119   2HD2  LEU  16          HD21      LEU  16  -0.987   1.166  -0.815
  120   3HD2  LEU  16          HD23      LEU  16   0.556   1.299  -0.010
  121    H    GLU  17           HN       GLU  17  -1.911   3.980  -5.115
  122    HA   GLU  17           HA       GLU  17  -4.652   4.649  -4.596
  123   1HB   GLU  17           HB2      GLU  17  -4.702   5.536  -6.869
  124   2HB   GLU  17           HB1      GLU  17  -3.078   5.804  -6.286
  125   1HG   GLU  17           HG2      GLU  17  -2.812   4.964  -8.544
  126   2HG   GLU  17           HG1      GLU  17  -2.430   3.588  -7.569
  127    H    ASN  18           HN       ASN  18  -3.367   2.321  -6.727
  128    HA   ASN  18           HA       ASN  18  -5.381   0.959  -7.899
  129   1HB   ASN  18           HB2      ASN  18  -2.685   0.835  -7.820
  130   2HB   ASN  18           HB1      ASN  18  -2.912  -0.489  -6.695
  131   1HD2  ASN  18          HD21      ASN  18  -3.942  -0.849 -10.587
  132   2HD2  ASN  18          HD22      ASN  18  -3.870   0.692  -9.827
  133    OH   TYR  19           OH       TYR  19  -2.084  -3.946  -7.108
  134    H    TYR  19           HN       TYR  19  -4.604   0.646  -4.611
  135    HA   TYR  19           HA       TYR  19  -6.878  -1.285  -4.172
  136   1HB   TYR  19           HB2      TYR  19  -4.346  -0.912  -2.340
  137   2HB   TYR  19           HB1      TYR  19  -5.426  -2.284  -2.313
  138    HD1  TYR  19           HD1      TYR  19  -5.875  -3.308  -4.760
  139    HD2  TYR  19           HD2      TYR  19  -2.423  -1.201  -3.554
  140    HE1  TYR  19           HE1      TYR  19  -4.588  -4.365  -6.588
  141    HE2  TYR  19           HE2      TYR  19  -1.143  -2.270  -5.390
  142    HH   TYR  19           HH       TYR  19  -2.473  -3.468  -7.857
  143    H    CYS  20           HN       CYS  20  -5.588   1.695  -3.581
  144    HA   CYS  20           HA       CYS  20  -7.575   2.787  -1.614
  145   1HB   CYS  20           HB2      CYS  20  -4.993   2.679  -1.346
  146   2HB   CYS  20           HB1      CYS  20  -5.045   4.043  -2.384
  147    HG   CYS  20           HG1      CYS  20  -5.848   5.486  -0.529
  148    H    ASN  21           HN       ASN  21  -8.881   2.729  -3.808
  149    HA   ASN  21           HA       ASN  21  -8.690   5.494  -4.937
  150   1HB   ASN  21           HB2      ASN  21  -9.035   4.384  -7.330
  151   2HB   ASN  21           HB1      ASN  21  -7.454   4.298  -6.594
  152   1HD2  ASN  21          HD21      ASN  21  -7.617   0.951  -7.433
  153   2HD2  ASN  21          HD22      ASN  21  -6.968   2.487  -7.812
  154    H    PHE   1           HN       PHE   1  12.641   5.058  -3.677
  155    HA   PHE   1           HA       PHE   1  11.553   7.650  -3.266
  156   1HB   PHE   1           HB2      PHE   1  10.341   6.948  -5.435
  157   2HB   PHE   1           HB1      PHE   1   9.530   5.700  -4.514
  158    HD1  PHE   1           HD1      PHE   1  10.276   9.352  -4.093
  159    HD2  PHE   1           HD2      PHE   1   7.357   6.260  -3.858
  160    HE1  PHE   1           HE1      PHE   1   8.597  10.998  -3.395
  161    HE2  PHE   1           HE2      PHE   1   5.679   7.907  -3.165
  162    HZ   PHE   1           HZ       PHE   1   6.289  10.279  -2.930
  163    H    VAL   2           HN       VAL   2   9.265   7.242  -1.906
  164    HA   VAL   2           HA       VAL   2   9.798   6.535   0.663
  165    HB   VAL   2           HB       VAL   2   7.259   6.036  -0.827
  166   1HG1  VAL   2          HG11      VAL   2   7.674   6.660   2.153
  167   2HG1  VAL   2          HG13      VAL   2   6.103   6.548   1.392
  168   3HG1  VAL   2          HG12      VAL   2   7.116   5.128   1.507
  169   1HG2  VAL   2          HG21      VAL   2   8.067   8.434  -1.081
  170   2HG2  VAL   2          HG23      VAL   2   6.637   8.412  -0.084
  171   3HG2  VAL   2          HG22      VAL   2   8.216   8.566   0.658
  172    H    ASN   3           HN       ASN   3  11.030   5.079   0.469
  173    HA   ASN   3           HA       ASN   3  11.839   2.716   0.017
  174   1HB   ASN   3           HB2      ASN   3  11.239   3.503   2.902
  175   2HB   ASN   3           HB1      ASN   3  12.505   2.407   2.393
  176   1HD2  ASN   3          HD21      ASN   3  13.631   5.777   0.763
  177   2HD2  ASN   3          HD22      ASN   3  12.533   4.767  -0.058
  178    H    GLN   4           HN       GLN   4   9.543   2.234  -0.783
  179    HA   GLN   4           HA       GLN   4   7.521   0.848  -0.565
  180   1HB   GLN   4           HB2      GLN   4   9.876  -0.695  -1.570
  181   2HB   GLN   4           HB1      GLN   4   8.191  -0.972  -1.995
  182   1HG   GLN   4           HG2      GLN   4   9.205   0.389  -3.865
  183   2HG   GLN   4           HG1      GLN   4   8.176   1.448  -2.973
  184   1HE2  GLN   4          HE21      GLN   4  10.847   3.639  -2.746
  185   2HE2  GLN   4          HE22      GLN   4   9.225   3.365  -3.239
  186    H    HIS   5           HN       HIS   5  10.238  -1.020   0.787
  187    HA   HIS   5           HA       HIS   5   8.311  -2.917   1.949
  188   1HB   HIS   5           HB2      HIS   5  10.882  -3.640   2.899
  189   2HB   HIS   5           HB1      HIS   5  10.147  -4.272   1.447
  190    HD1  HIS   5           HD1      HIS   5  11.565  -4.040  -0.404
  191    HD2  HIS   5           HD2      HIS   5  12.284  -0.989   2.179
  192    HE1  HIS   5           HE1      HIS   5  13.444  -2.660  -1.416
  193    H    LEU   6           HN       LEU   6   7.594  -0.925   2.863
  194    HA   LEU   6           HA       LEU   6   8.591  -0.151   5.558
  195   1HB   LEU   6           HB2      LEU   6   8.299   1.456   3.594
  196   2HB   LEU   6           HB1      LEU   6   6.665   1.031   3.439
  197    HG   LEU   6           HG       LEU   6   5.978   2.445   5.290
  198   1HD1  LEU   6          HD11      LEU   6   8.941   2.757   5.870
  199   2HD1  LEU   6          HD13      LEU   6   7.607   3.504   6.746
  200   3HD1  LEU   6          HD12      LEU   6   7.852   1.769   6.840
  201   1HD2  LEU   6          HD21      LEU   6   6.500   3.511   3.223
  202   2HD2  LEU   6          HD23      LEU   6   6.832   4.548   4.595
  203   3HD2  LEU   6          HD22      LEU   6   8.153   3.766   3.736
  204    H    CYS   7           HN       CYS   7   6.405  -1.957   3.976
  205    HA   CYS   7           HA       CYS   7   4.219  -2.676   4.201
  206   1HB   CYS   7           HB2      CYS   7   6.136  -4.388   4.210
  207   2HB   CYS   7           HB1      CYS   7   6.179  -4.299   5.935
  208    HG   CYS   7           HG1      CYS   7   4.357  -5.978   6.109
  209    H    GLY   8           HN       GLY   8   2.777  -4.087   5.093
  210   1HA   GLY   8           HA2      GLY   8   0.688  -4.170   6.241
  211   2HA   GLY   8           HA1      GLY   8   1.721  -4.281   7.670
  212    H    ASP   9           HN       ASP   9   2.135  -2.554   8.808
  213    HA   ASP   9           HA       ASP   9   0.051  -0.635   9.177
  214   1HB   ASP   9           HB2      ASP   9   2.982  -0.813  10.175
  215   2HB   ASP   9           HB1      ASP   9   1.682   0.064  10.985
  216    H    HIS  10           HN       HIS  10   3.263  -0.440   7.710
  217    HA   HIS  10           HA       HIS  10   3.402   2.242   7.007
  218   1HB   HIS  10           HB2      HIS  10   5.294   1.077   6.303
  219   2HB   HIS  10           HB1      HIS  10   4.316  -0.305   5.906
  220    HD1  HIS  10           HD1      HIS  10   4.253   3.035   4.236
  221    HD2  HIS  10           HD2      HIS  10   4.624  -0.875   3.182
  222    HE1  HIS  10           HE1      HIS  10   4.305   2.951   1.734
  223    H    LEU  11           HN       LEU  11   2.348  -0.216   4.934
  224    HA   LEU  11           HA       LEU  11   1.518   1.591   3.023
  225   1HB   LEU  11           HB2      LEU  11   0.524  -0.324   1.882
  226   2HB   LEU  11           HB1      LEU  11   2.152  -0.563   2.406
  227    HG   LEU  11           HG       LEU  11   0.938  -1.696   4.521
  228   1HD1  LEU  11          HD12      LEU  11  -1.367  -1.045   3.599
  229   2HD1  LEU  11          HD11      LEU  11  -1.002  -1.998   2.193
  230   3HD1  LEU  11          HD13      LEU  11  -1.176  -2.769   3.761
  231   1HD2  LEU  11          HD22      LEU  11   1.164  -2.827   1.716
  232   2HD2  LEU  11          HD21      LEU  11   2.488  -2.642   2.847
  233   3HD2  LEU  11          HD23      LEU  11   1.187  -3.787   3.200
  234    H    VAL  12           HN       VAL  12  -0.477  -0.061   5.685
  235    HA   VAL  12           HA       VAL  12  -2.966   0.959   4.588
  236    HB   VAL  12           HB       VAL  12  -3.024  -0.551   6.566
  237   1HG1  VAL  12          HG11      VAL  12  -1.831   1.822   8.096
  238   2HG1  VAL  12          HG13      VAL  12  -2.394   0.333   8.809
  239   3HG1  VAL  12          HG12      VAL  12  -1.060   0.299   7.693
  240   1HG2  VAL  12          HG21      VAL  12  -4.865   1.185   6.110
  241   2HG2  VAL  12          HG23      VAL  12  -4.724   0.899   7.845
  242   3HG2  VAL  12          HG22      VAL  12  -4.014   2.316   7.121
  243    H    GLU  13           HN       GLU  13  -0.609   2.532   6.820
  244    HA   GLU  13           HA       GLU  13  -1.938   5.032   7.037
  245   1HB   GLU  13           HB2      GLU  13   1.039   4.294   6.964
  246   2HB   GLU  13           HB1      GLU  13   0.471   5.927   7.310
  247   1HG   GLU  13           HG2      GLU  13  -0.380   3.447   8.926
  248   2HG   GLU  13           HG1      GLU  13   0.801   4.615   9.458
  249    H    ALA  14           HN       ALA  14   0.270   3.767   4.669
  250    HA   ALA  14           HA       ALA  14   0.339   5.929   2.976
  251   1HB   ALA  14           HB2      ALA  14   1.743   3.650   2.814
  252   2HB   ALA  14           HB1      ALA  14   0.325   2.913   2.134
  253   3HB   ALA  14           HB3      ALA  14   1.135   4.118   1.244
  254    H    LEU  15           HN       LEU  15  -1.904   3.390   2.970
  255    HA   LEU  15           HA       LEU  15  -3.560   4.191   0.764
  256   1HB   LEU  15           HB2      LEU  15  -4.504   2.869   3.354
  257   2HB   LEU  15           HB1      LEU  15  -5.357   2.929   1.838
  258    HG   LEU  15           HG       LEU  15  -2.660   1.442   2.052
  259   1HD1  LEU  15          HD12      LEU  15  -4.609   0.511   3.452
  260   2HD1  LEU  15          HD11      LEU  15  -5.533   0.502   1.973
  261   3HD1  LEU  15          HD13      LEU  15  -4.134  -0.540   2.135
  262   1HD2  LEU  15          HD21      LEU  15  -3.359   2.284  -0.179
  263   2HD2  LEU  15          HD23      LEU  15  -3.302   0.550  -0.050
  264   3HD2  LEU  15          HD22      LEU  15  -4.853   1.354   0.024
  265    OH   TYR  16           OH       TYR  16  -5.914   2.818   9.205
  266    H    TYR  16           HN       TYR  16  -3.884   5.016   4.205
  267    HA   TYR  16           HA       TYR  16  -6.062   6.888   3.963
  268   1HB   TYR  16           HB2      TYR  16  -3.654   7.294   5.815
  269   2HB   TYR  16           HB1      TYR  16  -5.244   7.980   6.038
  270    HD1  TYR  16           HD1      TYR  16  -6.911   5.390   5.601
  271    HD2  TYR  16           HD2      TYR  16  -3.360   6.226   7.788
  272    HE1  TYR  16           HE1      TYR  16  -7.391   3.524   7.176
  273    HE2  TYR  16           HE2      TYR  16  -3.841   4.406   9.305
  274    HH   TYR  16           HH       TYR  16  -5.144   2.831   9.783
  275    H    LEU  17           HN       LEU  17  -2.623   7.499   3.772
  276    HA   LEU  17           HA       LEU  17  -2.677  10.274   3.145
  277   1HB   LEU  17           HB2      LEU  17  -0.751   7.981   2.867
  278   2HB   LEU  17           HB1      LEU  17  -0.379   9.373   1.880
  279    HG   LEU  17           HG       LEU  17   0.772   9.349   4.151
  280   1HD1  LEU  17          HD12      LEU  17   0.394  11.463   2.887
  281   2HD1  LEU  17          HD11      LEU  17  -1.179  11.653   3.632
  282   3HD1  LEU  17          HD13      LEU  17   0.268  11.745   4.613
  283   1HD2  LEU  17          HD22      LEU  17  -2.056   9.878   5.187
  284   2HD2  LEU  17          HD21      LEU  17  -1.124   8.425   5.491
  285   3HD2  LEU  17          HD23      LEU  17  -0.584   9.959   6.131
  286    H    VAL  18           HN       VAL  18  -2.754   7.591   0.908
  287    HA   VAL  18           HA       VAL  18  -2.972   9.395  -1.428
  288    HB   VAL  18           HB       VAL  18  -1.761   7.300  -1.687
  289   1HG1  VAL  18          HG12      VAL  18  -3.222   5.959  -0.126
  290   2HG1  VAL  18          HG11      VAL  18  -4.474   6.011  -1.343
  291   3HG1  VAL  18          HG13      VAL  18  -3.004   5.138  -1.662
  292   1HG2  VAL  18          HG21      VAL  18  -3.037   8.248  -3.685
  293   2HG2  VAL  18          HG23      VAL  18  -2.939   6.489  -3.766
  294   3HG2  VAL  18          HG22      VAL  18  -4.415   7.266  -3.250
  295    H    CYS  19           HN       CYS  19  -5.479   7.158  -0.005
  296    HA   CYS  19           HA       CYS  19  -7.474   8.778  -1.563
  297   1HB   CYS  19           HB2      CYS  19  -8.390   6.837  -2.460
  298   2HB   CYS  19           HB1      CYS  19  -6.675   6.538  -2.344
  299    HG   CYS  19           HG1      CYS  19  -8.774   5.081  -0.610
  300    H    GLY  20           HN       GLY  20  -9.412   6.691  -0.628
  301   1HA   GLY  20           HA2      GLY  20 -10.161   7.707   2.023
  302   2HA   GLY  20           HA1      GLY  20 -11.338   7.465   0.706
  303    H    GLU  21           HN       GLU  21 -11.499   6.273   2.932
  304    HA   GLU  21           HA       GLU  21 -10.484   3.567   3.213
  305   1HB   GLU  21           HB2      GLU  21 -12.689   4.970   4.740
  306   2HB   GLU  21           HB1      GLU  21 -11.717   3.628   5.309
  307   1HG   GLU  21           HG2      GLU  21 -10.168   5.251   6.142
  308   2HG   GLU  21           HG1      GLU  21  -9.803   5.670   4.494
  309    NH1  ARG  22           NH1      ARG  22 -11.878  -0.276  -2.421
  310    NH2  ARG  22           NH2      ARG  22 -10.786   0.340  -4.198
  311    H    ARG  22           HN       ARG  22 -11.977   4.209   1.012
  312    HA   ARG  22           HA       ARG  22 -14.476   2.911   0.860
  313   1HB   ARG  22           HB2      ARG  22 -14.446   3.577  -1.366
  314   2HB   ARG  22           HB1      ARG  22 -13.049   4.484  -0.862
  315   1HG   ARG  22           HG2      ARG  22 -13.040   1.794  -2.340
  316   2HG   ARG  22           HG1      ARG  22 -12.606   3.329  -2.968
  317   1HD   ARG  22           HD2      ARG  22 -10.561   3.477  -2.009
  318   2HD   ARG  22           HD1      ARG  22 -10.973   2.582  -0.571
  319    HE   ARG  22           HE       ARG  22  -9.496   1.115  -2.154
  320   1HH1  ARG  22          HH12      ARG  22 -12.083  -0.090  -1.468
  321   2HH1  ARG  22          HH11      ARG  22 -12.324  -1.013  -2.905
  322   1HH2  ARG  22          HH22      ARG  22 -10.139   0.935  -4.665
  323   2HH2  ARG  22          HH21      ARG  22 -11.243  -0.369  -4.711
  324    H    GLY  23           HN       GLY  23 -12.365   1.142   2.082
  325   1HA   GLY  23           HA2      GLY  23 -12.773  -1.336   2.135
  326   2HA   GLY  23           HA1      GLY  23 -12.747  -1.347   0.395
  327    H    PHE  24           HN       PHE  24 -10.271   0.500   0.517
  328    HA   PHE  24           HA       PHE  24  -7.964  -0.031   0.221
  329   1HB   PHE  24           HB2      PHE  24  -8.614  -0.933   3.034
  330   2HB   PHE  24           HB1      PHE  24  -6.980  -0.747   2.497
  331    HD1  PHE  24           HD1      PHE  24  -7.406   1.887   0.859
  332    HD2  PHE  24           HD2      PHE  24  -8.683   0.657   4.730
  333    HE1  PHE  24           HE1      PHE  24  -7.491   4.234   1.590
  334    HE2  PHE  24           HE2      PHE  24  -8.756   3.015   5.438
  335    HZ   PHE  24           HZ       PHE  24  -8.145   4.789   3.855
  336    H    PHE  25           HN       PHE  25  -8.482  -1.753  -1.363
  337    HA   PHE  25           HA       PHE  25  -8.540  -4.531  -0.812
  338   1HB   PHE  25           HB2      PHE  25  -7.247  -3.162  -3.204
  339   2HB   PHE  25           HB1      PHE  25  -7.782  -4.816  -3.167
  340    HD1  PHE  25           HD1      PHE  25 -10.508  -4.092  -1.637
  341    HD2  PHE  25           HD2      PHE  25  -8.563  -2.615  -5.128
  342    HE1  PHE  25           HE1      PHE  25 -12.679  -3.447  -2.574
  343    HE2  PHE  25           HE2      PHE  25 -10.718  -1.973  -6.070
  344    HZ   PHE  25           HZ       PHE  25 -12.805  -2.384  -4.802
  345    OH   TYR  26           OH       TYR  26  -0.422  -7.162   4.933
  346    H    TYR  26           HN       TYR  26  -6.989  -4.680   1.007
  347    HA   TYR  26           HA       TYR  26  -4.132  -5.063   0.191
  348   1HB   TYR  26           HB2      TYR  26  -4.427  -3.519   2.067
  349   2HB   TYR  26           HB1      TYR  26  -5.542  -4.606   2.861
  350    HD1  TYR  26           HD1      TYR  26  -2.005  -4.613   1.561
  351    HD2  TYR  26           HD2      TYR  26  -4.730  -5.938   4.547
  352    HE1  TYR  26           HE1      TYR  26  -0.169  -5.771   2.759
  353    HE2  TYR  26           HE2      TYR  26  -2.882  -7.076   5.718
  354    HH   TYR  26           HH       TYR  26  -0.314  -6.749   5.798
  355    H    THR  27           HN       THR  27  -2.968  -6.871   1.415
  356    HA   THR  27           HA       THR  27  -2.725  -9.266   0.873
  357    HB   THR  27           HB       THR  27  -3.483  -8.496   3.679
  358    HG1  THR  27           HG1      THR  27  -1.321  -8.506   3.658
  359   1HG2  THR  27          HG21      THR  27  -2.665 -11.351   2.997
  360   2HG2  THR  27          HG23      THR  27  -2.763 -10.635   4.583
  361   3HG2  THR  27          HG22      THR  27  -4.215 -10.908   3.665
  362    HA   PRO  28           HA       PRO  28  -6.149 -11.901   0.503
  363   1HB   PRO  28           HB2      PRO  28  -5.378 -11.935  -2.429
  364   2HB   PRO  28           HB1      PRO  28  -6.980 -12.051  -1.698
  365   1HG   PRO  28           HG2      PRO  28  -6.353  -9.674  -2.731
  366   2HG   PRO  28           HG1      PRO  28  -6.985  -9.682  -1.078
  367   1HD   PRO  28           HD1      PRO  28  -4.050  -9.668  -1.889
  368   2HD   PRO  28           HD2      PRO  28  -4.902  -8.498  -0.875
  369    H    LYS  29           HN       LYS  29  -3.825 -12.095   1.539
  370    HA   LYS  29           HA       LYS  29  -2.533 -14.590   0.490
  371   1HB   LYS  29           HB2      LYS  29  -0.893 -12.854   0.261
  372   2HB   LYS  29           HB1      LYS  29  -1.368 -12.084   1.749
  373   1HG   LYS  29           HG2      LYS  29  -0.419 -14.100   3.048
  374   2HG   LYS  29           HG1      LYS  29   0.073 -14.800   1.525
  375   1HD   LYS  29           HD2      LYS  29   1.968 -13.757   2.644
  376   2HD   LYS  29           HD1      LYS  29   1.654 -12.916   1.163
  377   1HE   LYS  29           HE2      LYS  29   0.643 -11.949   3.884
  378   2HE   LYS  29           HE1      LYS  29   2.196 -11.470   3.201
  379   1HZ   LYS  29           HZ1      LYS  29   0.363 -11.178   1.168
  380   2HZ   LYS  29           HZ3      LYS  29  -0.318 -10.287   2.486
  381   3HZ   LYS  29           HZ2      LYS  29   1.241 -10.059   1.882
  382    H    THR  30           HN       THR  30  -1.700 -16.034   1.996
  383    HA   THR  30           HA       THR  30  -3.025 -16.060   4.711
  384    HB   THR  30           HB       THR  30  -4.076 -17.801   3.316
  385    HG1  THR  30           HG1      THR  30  -2.701 -19.576   4.602
  386   1HG2  THR  30          HG21      THR  30  -1.232 -18.975   3.115
  387   2HG2  THR  30          HG23      THR  30  -2.707 -19.677   2.459
  388   3HG2  THR  30          HG22      THR  30  -2.037 -18.222   1.752
   
  Start of MODEL          17
 Raw file had  388 H/Q atoms
  Start of MODEL   17
    1    H    GLY   1           HN       GLY   1  -1.818  -8.555   0.874
    2   1HA   GLY   1           HA2      GLY   1  -2.446  -8.439  -2.066
    3   2HA   GLY   1           HA1      GLY   1  -3.295  -7.410  -0.922
    4    H    ILE   2           HN       ILE   2  -1.013  -6.763   0.583
    5    HA   ILE   2           HA       ILE   2   0.245  -4.736  -1.264
    6    HB   ILE   2           HB       ILE   2   0.686  -4.962   1.763
    7   1HG1  ILE   2          HG12      ILE   2  -1.599  -3.507   0.390
    8   2HG1  ILE   2          HG11      ILE   2  -1.743  -4.894   1.377
    9   1HG2  ILE   2          HG21      ILE   2   0.931  -2.737  -0.316
   10   2HG2  ILE   2          HG23      ILE   2   1.190  -2.492   1.375
   11   3HG2  ILE   2          HG22      ILE   2   2.240  -3.549   0.490
   12   1HD1  ILE   2           HD2      ILE   2  -0.856  -3.622   3.392
   13   2HD1  ILE   2           HD1      ILE   2  -0.696  -2.188   2.408
   14   3HD1  ILE   2           HD3      ILE   2  -2.275  -2.853   2.718
   15    H    VAL   3           HN       VAL   3   1.060  -7.056   1.031
   16    HA   VAL   3           HA       VAL   3   3.489  -7.403   1.561
   17    HB   VAL   3           HB       VAL   3   3.294  -9.932   0.915
   18   1HG1  VAL   3          HG12      VAL   3   1.890  -9.062   2.819
   19   2HG1  VAL   3          HG11      VAL   3   0.583  -8.705   1.692
   20   3HG1  VAL   3          HG13      VAL   3   1.097 -10.357   1.938
   21   1HG2  VAL   3          HG22      VAL   3   0.913  -8.925  -0.763
   22   2HG2  VAL   3          HG21      VAL   3   2.414  -9.586  -1.400
   23   3HG2  VAL   3          HG23      VAL   3   1.344 -10.600  -0.484
   24    H    GLU   4           HN       GLU   4   4.316  -9.577  -0.704
   25    HA   GLU   4           HA       GLU   4   6.776  -8.719  -1.161
   26   1HB   GLU   4           HB2      GLU   4   4.726  -9.970  -3.031
   27   2HB   GLU   4           HB1      GLU   4   6.326  -9.646  -3.694
   28   1HG   GLU   4           HG2      GLU   4   6.028 -11.983  -2.541
   29   2HG   GLU   4           HG1      GLU   4   7.384 -11.061  -1.925
   30    H    GLN   5           HN       GLN   5   4.588  -7.648  -3.669
   31    HA   GLN   5           HA       GLN   5   6.346  -5.697  -4.742
   32   1HB   GLN   5           HB2      GLN   5   4.241  -4.662  -5.707
   33   2HB   GLN   5           HB1      GLN   5   4.263  -6.386  -5.879
   34   1HG   GLN   5           HG2      GLN   5   2.800  -5.188  -3.470
   35   2HG   GLN   5           HG1      GLN   5   2.035  -5.249  -5.037
   36   1HE2  GLN   5          HE21      GLN   5   2.274  -8.628  -2.973
   37   2HE2  GLN   5          HE22      GLN   5   2.922  -7.195  -2.302
   38    H    CYS   6           HN       CYS   6   4.261  -4.991  -1.765
   39    HA   CYS   6           HA       CYS   6   5.880  -2.417  -1.820
   40   1HB   CYS   6           HB2      CYS   6   2.982  -2.954  -1.536
   41   2HB   CYS   6           HB1      CYS   6   3.646  -1.547  -0.711
   42    HG   CYS   6           HG1      CYS   6   4.036  -0.467  -2.915
   43    H    CYS   7           HN       CYS   7   5.591  -4.997   0.012
   44    HA   CYS   7           HA       CYS   7   6.257  -3.442   2.502
   45   1HB   CYS   7           HB2      CYS   7   4.298  -4.468   2.946
   46   2HB   CYS   7           HB1      CYS   7   4.504  -5.705   1.778
   47    HG   CYS   7           HG1      CYS   7   5.824  -7.124   3.500
   48    H    THR   8           HN       THR   8   7.015  -6.151   0.520
   49    HA   THR   8           HA       THR   8   9.637  -6.639   1.919
   50    HB   THR   8           HB       THR   8   8.577  -8.370  -0.399
   51    HG1  THR   8           HG1      THR   8   7.366  -9.407   1.157
   52   1HG2  THR   8          HG22      THR   8  10.865  -8.796   0.745
   53   2HG2  THR   8          HG21      THR   8   9.957  -9.017   2.238
   54   3HG2  THR   8          HG23      THR   8   9.689 -10.104   0.887
   55    H    SER   9           HN       SER   9   8.168  -5.617  -0.976
   56    HA   SER   9           HA       SER   9  10.748  -4.764  -2.251
   57   1HB   SER   9           HB2      SER   9   9.409  -6.610  -3.494
   58   2HB   SER   9           HB1      SER   9   8.167  -5.368  -3.738
   59    HG   SER   9           HG1      SER   9  10.565  -5.568  -5.029
   60    H    ILE  10           HN       ILE  10   9.492  -3.169  -4.169
   61    HA   ILE  10           HA       ILE  10   8.151  -1.024  -2.515
   62    HB   ILE  10           HB       ILE  10  10.392  -0.436  -4.463
   63   1HG1  ILE  10          HG12      ILE  10  10.319  -0.498  -1.390
   64   2HG1  ILE  10          HG11      ILE  10  11.145  -1.660  -2.387
   65   1HG2  ILE  10          HG21      ILE  10   8.878   1.261  -2.397
   66   2HG2  ILE  10          HG23      ILE  10  10.221   1.830  -3.380
   67   3HG2  ILE  10          HG22      ILE  10   8.705   1.423  -4.139
   68   1HD1  ILE  10           HD2      ILE  10  12.633   0.107  -3.332
   69   2HD1  ILE  10           HD1      ILE  10  11.879   1.314  -2.310
   70   3HD1  ILE  10           HD3      ILE  10  12.784   0.008  -1.591
   71    H    CYS  11           HN       CYS  11   6.129  -1.474  -3.500
   72    HA   CYS  11           HA       CYS  11   5.770  -0.423  -6.304
   73   1HB   CYS  11           HB2      CYS  11   4.110  -2.063  -6.564
   74   2HB   CYS  11           HB1      CYS  11   5.271  -2.798  -5.501
   75    HG   CYS  11           HG1      CYS  11   3.592  -3.278  -3.868
   76    H    SER  12           HN       SER  12   5.903   0.847  -3.645
   77    HA   SER  12           HA       SER  12   3.745   1.943  -2.482
   78   1HB   SER  12           HB2      SER  12   5.484   3.845  -1.988
   79   2HB   SER  12           HB1      SER  12   5.644   2.169  -1.421
   80    HG   SER  12           HG1      SER  12   6.678   2.870  -4.024
   81    H    LEU  13           HN       LEU  13   2.072   2.663  -3.506
   82    HA   LEU  13           HA       LEU  13   0.682   4.675  -3.452
   83   1HB   LEU  13           HB2      LEU  13   2.697   6.261  -3.617
   84   2HB   LEU  13           HB1      LEU  13   2.850   5.852  -5.305
   85    HG   LEU  13           HG       LEU  13   0.577   6.796  -5.759
   86   1HD1  LEU  13          HD11      LEU  13   0.672   7.570  -2.795
   87   2HD1  LEU  13          HD13      LEU  13  -0.547   8.077  -3.948
   88   3HD1  LEU  13          HD12      LEU  13  -0.439   6.400  -3.493
   89   1HD2  LEU  13          HD21      LEU  13   2.625   8.255  -5.834
   90   2HD2  LEU  13          HD23      LEU  13   1.221   9.158  -5.304
   91   3HD2  LEU  13          HD22      LEU  13   2.410   8.628  -4.134
   92    OH   TYR  14           OH       TYR  14   7.002   3.370  -5.773
   93    H    TYR  14           HN       TYR  14   2.445   3.572  -6.076
   94    HA   TYR  14           HA       TYR  14   0.175   3.661  -7.986
   95   1HB   TYR  14           HB2      TYR  14   2.105   2.132  -9.262
   96   2HB   TYR  14           HB1      TYR  14   2.013   3.888  -9.387
   97    HD1  TYR  14           HD1      TYR  14   3.240   5.218  -7.497
   98    HD2  TYR  14           HD2      TYR  14   4.039   1.135  -8.324
   99    HE1  TYR  14           HE1      TYR  14   5.315   5.359  -6.192
  100    HE2  TYR  14           HE2      TYR  14   6.138   1.312  -7.031
  101    HH   TYR  14           HH       TYR  14   7.410   4.248  -5.784
  102    H    GLN  15           HN       GLN  15   1.632   1.373  -5.862
  103    HA   GLN  15           HA       GLN  15  -0.378  -0.519  -6.883
  104   1HB   GLN  15           HB2      GLN  15   2.483  -0.970  -6.234
  105   2HB   GLN  15           HB1      GLN  15   1.392  -2.352  -6.206
  106   1HG   GLN  15           HG2      GLN  15   1.716  -0.486  -8.639
  107   2HG   GLN  15           HG1      GLN  15   2.520  -2.038  -8.509
  108   1HE2  GLN  15          HE21      GLN  15  -1.269  -1.933  -9.639
  109   2HE2  GLN  15          HE22      GLN  15  -0.471  -0.481  -9.237
  110    H    LEU  16           HN       LEU  16  -0.662   1.197  -4.958
  111    HA   LEU  16           HA       LEU  16  -1.118  -0.223  -2.535
  112   1HB   LEU  16           HB2      LEU  16  -0.241   2.653  -3.189
  113   2HB   LEU  16           HB1      LEU  16  -1.200   2.464  -1.753
  114    HG   LEU  16           HG       LEU  16   0.282   0.984  -0.805
  115   1HD1  LEU  16          HD11      LEU  16   1.982   0.963  -3.275
  116   2HD1  LEU  16          HD13      LEU  16   2.500   0.395  -1.682
  117   3HD1  LEU  16          HD12      LEU  16   1.148  -0.328  -2.482
  118   1HD2  LEU  16          HD22      LEU  16   1.724   3.459  -1.650
  119   2HD2  LEU  16          HD21      LEU  16   0.695   3.183  -0.268
  120   3HD2  LEU  16          HD23      LEU  16   2.239   2.366  -0.368
  121    H    GLU  17           HN       GLU  17  -2.172   2.301  -4.449
  122    HA   GLU  17           HA       GLU  17  -4.804   2.659  -3.457
  123   1HB   GLU  17           HB2      GLU  17  -4.874   4.022  -5.463
  124   2HB   GLU  17           HB1      GLU  17  -3.148   3.829  -5.245
  125   1HG   GLU  17           HG2      GLU  17  -4.749   1.918  -6.882
  126   2HG   GLU  17           HG1      GLU  17  -3.917   3.358  -7.519
  127    H    ASN  18           HN       ASN  18  -3.356   0.638  -5.619
  128    HA   ASN  18           HA       ASN  18  -5.120  -0.956  -6.936
  129   1HB   ASN  18           HB2      ASN  18  -2.434  -0.655  -6.886
  130   2HB   ASN  18           HB1      ASN  18  -2.408  -2.053  -5.885
  131   1HD2  ASN  18          HD21      ASN  18  -3.262  -2.215  -9.771
  132   2HD2  ASN  18          HD22      ASN  18  -2.952  -0.753  -8.913
  133    OH   TYR  19           OH       TYR  19  -0.540  -0.453   0.379
  134    H    TYR  19           HN       TYR  19  -4.383  -1.200  -3.640
  135    HA   TYR  19           HA       TYR  19  -6.334  -3.448  -3.203
  136   1HB   TYR  19           HB2      TYR  19  -4.631  -4.349  -1.495
  137   2HB   TYR  19           HB1      TYR  19  -3.832  -4.059  -3.030
  138    HD1  TYR  19           HD2      TYR  19  -4.691  -1.923  -0.077
  139    HD2  TYR  19           HD1      TYR  19  -1.802  -3.362  -2.846
  140    HE1  TYR  19           HE2      TYR  19  -2.978  -0.523   0.937
  141    HE2  TYR  19           HE1      TYR  19  -0.128  -1.985  -1.812
  142    HH   TYR  19           HH       TYR  19  -0.002  -1.103   0.839
  143    H    CYS  20           HN       CYS  20  -5.198  -0.435  -2.438
  144    HA   CYS  20           HA       CYS  20  -6.894   0.306  -0.106
  145   1HB   CYS  20           HB2      CYS  20  -4.223   0.583  -0.432
  146   2HB   CYS  20           HB1      CYS  20  -4.664   1.957  -1.369
  147    HG   CYS  20           HG1      CYS  20  -4.527   1.785   1.575
  148    H    ASN  21           HN       ASN  21  -8.682   0.180  -1.352
  149    HA   ASN  21           HA       ASN  21 -10.113   0.611  -3.298
  150   1HB   ASN  21           HB2      ASN  21 -10.142   2.988  -1.396
  151   2HB   ASN  21           HB1      ASN  21 -11.499   2.413  -2.335
  152   1HD2  ASN  21          HD21      ASN  21 -12.304   0.087   0.119
  153   2HD2  ASN  21          HD22      ASN  21 -12.840   1.060  -1.169
  154    H    PHE   1           HN       PHE   1  10.618   8.211  -8.139
  155    HA   PHE   1           HA       PHE   1  10.501   8.007  -5.625
  156   1HB   PHE   1           HB2      PHE   1   7.870   7.409  -7.070
  157   2HB   PHE   1           HB1      PHE   1   7.994   8.092  -5.462
  158    HD1  PHE   1           HD1      PHE   1   8.738   8.731  -9.043
  159    HD2  PHE   1           HD2      PHE   1   8.415  10.420  -5.156
  160    HE1  PHE   1           HE1      PHE   1   8.889  10.985 -10.012
  161    HE2  PHE   1           HE2      PHE   1   8.561  12.675  -6.120
  162    HZ   PHE   1           HZ       PHE   1   8.801  12.961  -8.549
  163    H    VAL   2           HN       VAL   2  11.750   5.746  -5.783
  164    HA   VAL   2           HA       VAL   2  10.043   3.701  -4.668
  165    HB   VAL   2           HB       VAL   2  11.712   2.105  -5.379
  166   1HG1  VAL   2          HG12      VAL   2   9.568   2.440  -6.600
  167   2HG1  VAL   2          HG11      VAL   2  10.255   3.776  -7.505
  168   3HG1  VAL   2          HG13      VAL   2  10.832   2.139  -7.774
  169   1HG2  VAL   2          HG21      VAL   2  13.614   3.668  -5.868
  170   2HG2  VAL   2          HG23      VAL   2  13.178   2.814  -7.332
  171   3HG2  VAL   2          HG22      VAL   2  12.667   4.473  -7.109
  172    H    ASN   3           HN       ASN   3  10.625   5.011  -2.733
  173    HA   ASN   3           HA       ASN   3  12.964   3.845  -1.216
  174   1HB   ASN   3           HB2      ASN   3  11.627   6.542  -0.841
  175   2HB   ASN   3           HB1      ASN   3  13.059   6.001   0.005
  176   1HD2  ASN   3          HD21      ASN   3  15.084   7.163  -2.630
  177   2HD2  ASN   3          HD22      ASN   3  15.013   6.653  -1.001
  178    H    GLN   4           HN       GLN   4  10.235   2.878  -1.463
  179    HA   GLN   4           HA       GLN   4   9.380   3.142   1.396
  180   1HB   GLN   4           HB2      GLN   4   7.719   2.719  -1.021
  181   2HB   GLN   4           HB1      GLN   4   7.095   2.920   0.602
  182   1HG   GLN   4           HG2      GLN   4   6.913   5.188  -0.261
  183   2HG   GLN   4           HG1      GLN   4   8.418   5.236   0.616
  184   1HE2  GLN   4          HE21      GLN   4   8.928   5.161  -3.393
  185   2HE2  GLN   4          HE22      GLN   4   7.900   3.991  -2.739
  186    H    HIS   5           HN       HIS   5  10.300   1.487   2.268
  187    HA   HIS   5           HA       HIS   5   9.292  -1.298   1.688
  188   1HB   HIS   5           HB2      HIS   5  11.871  -0.236   2.960
  189   2HB   HIS   5           HB1      HIS   5  11.313  -1.845   3.357
  190    HD1  HIS   5           HD1      HIS   5  10.661  -3.117   0.896
  191    HD2  HIS   5           HD2      HIS   5  13.717  -0.427   0.969
  192    HE1  HIS   5           HE1      HIS   5  12.120  -3.650  -1.046
  193    H    LEU   6           HN       LEU   6   7.457  -0.276   2.634
  194    HA   LEU   6           HA       LEU   6   7.366  -0.304   5.628
  195   1HB   LEU   6           HB2      LEU   6   5.507   1.329   5.384
  196   2HB   LEU   6           HB1      LEU   6   6.974   1.895   4.648
  197    HG   LEU   6           HG       LEU   6   4.320   1.205   3.381
  198   1HD1  LEU   6          HD11      LEU   6   6.396   3.422   2.999
  199   2HD1  LEU   6          HD13      LEU   6   4.838   3.371   2.205
  200   3HD1  LEU   6          HD12      LEU   6   4.928   3.572   3.937
  201   1HD2  LEU   6          HD22      LEU   6   6.920   1.308   1.847
  202   2HD2  LEU   6          HD21      LEU   6   5.869  -0.097   1.984
  203   3HD2  LEU   6          HD23      LEU   6   5.325   1.315   1.124
  204    H    CYS   7           HN       CYS   7   6.525  -2.049   6.422
  205    HA   CYS   7           HA       CYS   7   4.609  -3.691   4.817
  206   1HB   CYS   7           HB2      CYS   7   6.797  -4.604   5.489
  207   2HB   CYS   7           HB1      CYS   7   6.318  -4.517   7.165
  208    HG   CYS   7           HG1      CYS   7   4.833  -6.527   6.868
  209    H    GLY   8           HN       GLY   8   4.686  -2.497   8.173
  210   1HA   GLY   8           HA2      GLY   8   1.813  -3.429   8.418
  211   2HA   GLY   8           HA1      GLY   8   2.927  -3.293   9.791
  212    H    ASP   9           HN       ASP   9   2.998  -1.541  10.849
  213    HA   ASP   9           HA       ASP   9   1.078   0.427  10.867
  214   1HB   ASP   9           HB2      ASP   9   3.041   1.550  12.248
  215   2HB   ASP   9           HB1      ASP   9   2.637  -0.066  12.752
  216    H    HIS  10           HN       HIS  10   4.252   0.922   9.762
  217    HA   HIS  10           HA       HIS  10   4.055   3.431   8.495
  218   1HB   HIS  10           HB2      HIS  10   6.064   1.966   9.136
  219   2HB   HIS  10           HB1      HIS  10   5.845   1.117   7.620
  220    HD1  HIS  10           HD1      HIS  10   5.401   3.567   5.821
  221    HD2  HIS  10           HD2      HIS  10   8.320   3.403   8.645
  222    HE1  HIS  10           HE1      HIS  10   7.152   5.216   5.128
  223    H    LEU  11           HN       LEU  11   2.619   0.661   7.456
  224    HA   LEU  11           HA       LEU  11   2.311   1.558   4.624
  225   1HB   LEU  11           HB2      LEU  11   3.189  -0.741   5.113
  226   2HB   LEU  11           HB1      LEU  11   1.755  -1.105   6.036
  227    HG   LEU  11           HG       LEU  11   0.366  -0.831   3.981
  228   1HD1  LEU  11          HD12      LEU  11   2.033   0.709   2.786
  229   2HD1  LEU  11          HD11      LEU  11   3.149  -0.636   2.681
  230   3HD1  LEU  11          HD13      LEU  11   1.642  -0.656   1.801
  231   1HD2  LEU  11          HD21      LEU  11   1.349  -2.961   4.865
  232   2HD2  LEU  11          HD23      LEU  11   1.258  -3.059   3.146
  233   3HD2  LEU  11          HD22      LEU  11   2.788  -2.699   3.899
  234    H    VAL  12           HN       VAL  12   0.429   0.383   7.394
  235    HA   VAL  12           HA       VAL  12  -2.179   1.046   6.329
  236    HB   VAL  12           HB       VAL  12  -2.053  -0.346   8.313
  237   1HG1  VAL  12          HG11      VAL  12  -0.817   2.077   9.685
  238   2HG1  VAL  12          HG13      VAL  12  -1.270   0.603  10.481
  239   3HG1  VAL  12          HG12      VAL  12  -0.033   0.578   9.252
  240   1HG2  VAL  12          HG21      VAL  12  -4.011   1.299   8.090
  241   2HG2  VAL  12          HG23      VAL  12  -3.621   0.992   9.787
  242   3HG2  VAL  12          HG22      VAL  12  -3.059   2.446   9.017
  243    H    GLU  13           HN       GLU  13   0.055   2.957   8.302
  244    HA   GLU  13           HA       GLU  13  -1.445   5.312   8.534
  245   1HB   GLU  13           HB2      GLU  13   1.443   4.537   8.655
  246   2HB   GLU  13           HB1      GLU  13   1.154   6.248   8.373
  247   1HG   GLU  13           HG2      GLU  13   1.231   5.846  10.835
  248   2HG   GLU  13           HG1      GLU  13  -0.429   6.210  10.432
  249    H    ALA  14           HN       ALA  14  -0.142   3.887   5.761
  250    HA   ALA  14           HA       ALA  14  -0.336   6.373   4.188
  251   1HB   ALA  14           HB2      ALA  14   1.715   4.754   3.868
  252   2HB   ALA  14           HB1      ALA  14   0.600   3.505   3.365
  253   3HB   ALA  14           HB3      ALA  14   0.806   4.928   2.373
  254    H    LEU  15           HN       LEU  15  -1.518   3.025   4.038
  255    HA   LEU  15           HA       LEU  15  -3.479   3.146   2.238
  256   1HB   LEU  15           HB2      LEU  15  -3.477   1.995   5.058
  257   2HB   LEU  15           HB1      LEU  15  -4.947   1.850   4.146
  258    HG   LEU  15           HG       LEU  15  -2.700   0.998   2.495
  259   1HD1  LEU  15          HD11      LEU  15  -3.016  -0.483   5.127
  260   2HD1  LEU  15          HD13      LEU  15  -2.108  -1.030   3.735
  261   3HD1  LEU  15          HD12      LEU  15  -1.597   0.400   4.560
  262   1HD2  LEU  15          HD22      LEU  15  -5.036  -0.515   3.862
  263   2HD2  LEU  15          HD21      LEU  15  -5.186   0.229   2.288
  264   3HD2  LEU  15          HD23      LEU  15  -4.143  -1.153   2.509
  265    OH   TYR  16           OH       TYR  16  -4.070   3.691  11.452
  266    H    TYR  16           HN       TYR  16  -3.858   4.330   5.468
  267    HA   TYR  16           HA       TYR  16  -6.299   5.408   5.790
  268   1HB   TYR  16           HB2      TYR  16  -3.613   6.707   6.268
  269   2HB   TYR  16           HB1      TYR  16  -5.069   7.495   6.836
  270    HD1  TYR  16           HD2      TYR  16  -5.846   4.098   7.325
  271    HD2  TYR  16           HD1      TYR  16  -3.200   7.133   8.715
  272    HE1  TYR  16           HE2      TYR  16  -5.565   2.917   9.492
  273    HE2  TYR  16           HE1      TYR  16  -2.948   5.908  10.837
  274    HH   TYR  16           HH       TYR  16  -3.096   3.742  11.514
  275    H    LEU  17           HN       LEU  17  -4.029   7.005   3.719
  276    HA   LEU  17           HA       LEU  17  -6.169   8.845   2.698
  277   1HB   LEU  17           HB2      LEU  17  -3.137   9.251   2.546
  278   2HB   LEU  17           HB1      LEU  17  -4.354  10.392   2.049
  279    HG   LEU  17           HG       LEU  17  -3.621  11.273   4.058
  280   1HD1  LEU  17          HD12      LEU  17  -6.066  11.129   4.105
  281   2HD1  LEU  17          HD11      LEU  17  -5.987   9.563   4.892
  282   3HD1  LEU  17          HD13      LEU  17  -5.400  10.988   5.724
  283   1HD2  LEU  17          HD22      LEU  17  -3.602   8.494   5.253
  284   2HD2  LEU  17          HD21      LEU  17  -2.206   9.424   4.781
  285   3HD2  LEU  17          HD23      LEU  17  -3.203   9.960   6.115
  286    H    VAL  18           HN       VAL  18  -3.374   6.937   1.541
  287    HA   VAL  18           HA       VAL  18  -3.868   7.445  -1.277
  288    HB   VAL  18           HB       VAL  18  -2.512   5.539  -1.776
  289   1HG1  VAL  18          HG12      VAL  18  -1.446   7.598  -0.969
  290   2HG1  VAL  18          HG11      VAL  18  -1.545   7.034   0.692
  291   3HG1  VAL  18          HG13      VAL  18  -0.516   6.195  -0.463
  292   1HG2  VAL  18          HG22      VAL  18  -2.811   4.870   1.163
  293   2HG2  VAL  18          HG21      VAL  18  -3.453   3.943  -0.180
  294   3HG2  VAL  18          HG23      VAL  18  -1.722   4.033   0.057
  295    H    CYS  19           HN       CYS  19  -5.320   5.035   0.834
  296    HA   CYS  19           HA       CYS  19  -6.375   3.267  -0.864
  297   1HB   CYS  19           HB2      CYS  19  -7.305   4.534   1.670
  298   2HB   CYS  19           HB1      CYS  19  -8.398   3.384   0.939
  299    HG   CYS  19           HG1      CYS  19  -6.093   2.775   2.718
  300    H    GLY  20           HN       GLY  20  -6.859   4.738  -2.932
  301   1HA   GLY  20           HA2      GLY  20  -8.618   6.450  -3.809
  302   2HA   GLY  20           HA1      GLY  20  -8.984   4.839  -4.355
  303    H    GLU  21           HN       GLU  21  -9.660   7.184  -1.932
  304    HA   GLU  21           HA       GLU  21 -11.523   7.657  -0.535
  305   1HB   GLU  21           HB2      GLU  21 -12.840   6.663  -3.081
  306   2HB   GLU  21           HB1      GLU  21 -13.520   7.815  -1.930
  307   1HG   GLU  21           HG2      GLU  21 -11.250   9.218  -2.226
  308   2HG   GLU  21           HG1      GLU  21 -10.922   8.211  -3.595
  309    NH1  ARG  22           NH1      ARG  22  -9.972   4.343   5.717
  310    NH2  ARG  22           NH2      ARG  22  -8.935   5.975   6.791
  311    H    ARG  22           HN       ARG  22 -10.438   6.046   0.155
  312    HA   ARG  22           HA       ARG  22 -10.310   3.616   0.639
  313   1HB   ARG  22           HB2      ARG  22  -9.149   4.637   2.796
  314   2HB   ARG  22           HB1      ARG  22  -8.890   5.498   1.299
  315   1HG   ARG  22           HG2      ARG  22  -9.349   7.302   2.555
  316   2HG   ARG  22           HG1      ARG  22 -10.920   6.998   1.873
  317   1HD   ARG  22           HD2      ARG  22 -11.272   7.385   4.121
  318   2HD   ARG  22           HD1      ARG  22 -11.439   5.633   3.894
  319    HE   ARG  22           HE       ARG  22  -8.716   6.748   4.568
  320   1HH1  ARG  22          HH12      ARG  22 -10.406   4.101   4.857
  321   2HH1  ARG  22          HH11      ARG  22  -9.942   3.686   6.454
  322   1HH2  ARG  22          HH22      ARG  22  -8.596   6.905   6.697
  323   2HH2  ARG  22          HH21      ARG  22  -8.840   5.460   7.631
  324    H    GLY  23           HN       GLY  23 -12.154   2.468   0.702
  325   1HA   GLY  23           HA2      GLY  23 -12.937   1.709   3.532
  326   2HA   GLY  23           HA1      GLY  23 -13.796   1.193   2.059
  327    H    PHE  24           HN       PHE  24 -10.517   1.269   3.174
  328    HA   PHE  24           HA       PHE  24  -8.719  -0.210   2.391
  329   1HB   PHE  24           HB2      PHE  24 -10.176  -1.439   4.768
  330   2HB   PHE  24           HB1      PHE  24  -8.513  -1.768   4.375
  331    HD1  PHE  24           HD1      PHE  24  -7.161   0.758   3.987
  332    HD2  PHE  24           HD2      PHE  24 -10.373  -0.121   6.624
  333    HE1  PHE  24           HE1      PHE  24  -6.505   2.633   5.420
  334    HE2  PHE  24           HE2      PHE  24  -9.726   1.737   8.066
  335    HZ   PHE  24           HZ       PHE  24  -7.773   3.129   7.475
  336    H    PHE  25           HN       PHE  25  -9.464  -1.118   0.263
  337    HA   PHE  25           HA       PHE  25 -10.820  -3.721   0.293
  338   1HB   PHE  25           HB2      PHE  25  -9.505  -2.052  -1.884
  339   2HB   PHE  25           HB1      PHE  25 -10.235  -3.595  -2.232
  340    HD1  PHE  25           HD2      PHE  25 -12.453  -2.571   0.193
  341    HD2  PHE  25           HD1      PHE  25 -11.161  -1.428  -3.703
  342    HE1  PHE  25           HE2      PHE  25 -14.601  -1.504  -0.201
  343    HE2  PHE  25           HE1      PHE  25 -13.327  -0.344  -4.097
  344    HZ   PHE  25           HZ       PHE  25 -15.060  -0.379  -2.349
  345    OH   TYR  26           OH       TYR  26  -1.514  -7.643   2.552
  346    H    TYR  26           HN       TYR  26  -8.893  -4.357   1.860
  347    HA   TYR  26           HA       TYR  26  -6.546  -5.519   0.543
  348   1HB   TYR  26           HB2      TYR  26  -6.964  -4.891   3.136
  349   2HB   TYR  26           HB1      TYR  26  -7.538  -6.551   3.236
  350    HD1  TYR  26           HD1      TYR  26  -5.940  -8.296   1.861
  351    HD2  TYR  26           HD2      TYR  26  -4.688  -4.565   3.469
  352    HE1  TYR  26           HE1      TYR  26  -3.589  -9.047   1.812
  353    HE2  TYR  26           HE2      TYR  26  -2.349  -5.344   3.415
  354    HH   TYR  26           HH       TYR  26  -1.291  -7.822   3.477
  355    H    THR  27           HN       THR  27  -7.534  -6.473  -1.092
  356    HA   THR  27           HA       THR  27  -9.136  -8.963  -0.843
  357    HB   THR  27           HB       THR  27  -9.220  -8.614  -3.462
  358    HG1  THR  27           HG1      THR  27  -8.361  -6.059  -2.581
  359   1HG2  THR  27          HG21      THR  27 -10.105  -6.239  -1.718
  360   2HG2  THR  27          HG23      THR  27 -10.748  -6.693  -3.285
  361   3HG2  THR  27          HG22      THR  27 -11.050  -7.702  -1.880
  362    HA   PRO  28           HA       PRO  28  -4.465  -9.544  -0.353
  363   1HB   PRO  28           HB2      PRO  28  -5.384 -12.295  -1.172
  364   2HB   PRO  28           HB1      PRO  28  -4.029 -11.858  -0.129
  365   1HG   PRO  28           HG2      PRO  28  -6.288 -12.441   1.130
  366   2HG   PRO  28           HG1      PRO  28  -5.563 -10.891   1.569
  367   1HD   PRO  28           HD1      PRO  28  -7.833 -11.406  -0.391
  368   2HD   PRO  28           HD2      PRO  28  -7.746 -10.181   0.894
  369    H    LYS  29           HN       LYS  29  -5.405  -8.400  -2.735
  370    HA   LYS  29           HA       LYS  29  -3.574  -9.592  -4.777
  371   1HB   LYS  29           HB2      LYS  29  -5.802  -9.725  -5.537
  372   2HB   LYS  29           HB1      LYS  29  -6.252  -8.164  -4.954
  373   1HG   LYS  29           HG2      LYS  29  -4.048  -7.818  -6.938
  374   2HG   LYS  29           HG1      LYS  29  -5.221  -8.930  -7.574
  375   1HD   LYS  29           HD2      LYS  29  -5.779  -6.576  -8.188
  376   2HD   LYS  29           HD1      LYS  29  -7.062  -7.340  -7.284
  377   1HE   LYS  29           HE2      LYS  29  -6.752  -5.044  -6.535
  378   2HE   LYS  29           HE1      LYS  29  -6.363  -6.134  -5.222
  379   1HZ   LYS  29           HZ1      LYS  29  -3.960  -5.666  -6.734
  380   2HZ   LYS  29           HZ3      LYS  29  -4.672  -4.213  -6.409
  381   3HZ   LYS  29           HZ2      LYS  29  -4.294  -5.237  -5.171
  382    H    THR  30           HN       THR  30  -2.114  -8.390  -5.710
  383    HA   THR  30           HA       THR  30  -0.357  -6.706  -5.088
  384    HB   THR  30           HB       THR  30  -0.442  -5.362  -7.279
  385    HG1  THR  30           HG1      THR  30  -2.393  -5.085  -7.963
  386   1HG2  THR  30          HG22      THR  30   0.080  -7.915  -7.359
  387   2HG2  THR  30          HG21      THR  30  -1.639  -8.162  -7.652
  388   3HG2  THR  30          HG23      THR  30  -0.683  -7.249  -8.794
   
  Start of MODEL          18
 Raw file had  388 H/Q atoms
  Start of MODEL   18
    1    H    GLY   1           HN       GLY   1  -1.767  -5.803  -3.126
    2   1HA   GLY   1           HA2      GLY   1   0.241  -5.854  -4.498
    3   2HA   GLY   1           HA1      GLY   1  -0.149  -4.257  -5.092
    4    H    ILE   2           HN       ILE   2   0.207  -5.516  -1.875
    5    HA   ILE   2           HA       ILE   2   2.502  -3.653  -1.398
    6    HB   ILE   2           HB       ILE   2   1.404  -3.757   1.159
    7   1HG1  ILE   2          HG12      ILE   2  -0.988  -3.324  -0.600
    8   2HG1  ILE   2          HG11      ILE   2  -0.725  -4.691   0.445
    9   1HG2  ILE   2          HG21      ILE   2   1.303  -1.680  -0.951
   10   2HG2  ILE   2          HG23      ILE   2   0.988  -1.349   0.743
   11   3HG2  ILE   2          HG22      ILE   2   2.552  -1.925   0.227
   12   1HD1  ILE   2           HD2      ILE   2  -0.595  -3.124   2.482
   13   2HD1  ILE   2           HD1      ILE   2  -0.843  -1.771   1.431
   14   3HD1  ILE   2           HD3      ILE   2  -2.115  -2.928   1.642
   15    H    VAL   3           HN       VAL   3   0.872  -6.166   0.437
   16    HA   VAL   3           HA       VAL   3   3.114  -6.635   2.026
   17    HB   VAL   3           HB       VAL   3   2.001  -9.019   2.400
   18   1HG1  VAL   3          HG12      VAL   3   1.088  -7.030   3.628
   19   2HG1  VAL   3          HG11      VAL   3   0.031  -6.666   2.281
   20   3HG1  VAL   3          HG13      VAL   3  -0.219  -8.123   3.216
   21   1HG2  VAL   3          HG21      VAL   3   1.249  -9.301   0.023
   22   2HG2  VAL   3          HG23      VAL   3  -0.104  -9.504   1.115
   23   3HG2  VAL   3          HG22      VAL   3   0.087  -8.015   0.223
   24    H    GLU   4           HN       GLU   4   2.787  -7.481  -1.082
   25    HA   GLU   4           HA       GLU   4   5.324  -9.024  -0.940
   26   1HB   GLU   4           HB2      GLU   4   4.279  -9.295  -3.607
   27   2HB   GLU   4           HB1      GLU   4   4.083 -10.492  -2.361
   28   1HG   GLU   4           HG2      GLU   4   1.917  -9.818  -3.564
   29   2HG   GLU   4           HG1      GLU   4   1.812  -9.729  -1.836
   30    H    GLN   5           HN       GLN   5   3.929  -7.159  -3.524
   31    HA   GLN   5           HA       GLN   5   6.315  -6.131  -4.536
   32   1HB   GLN   5           HB2      GLN   5   3.897  -6.010  -5.417
   33   2HB   GLN   5           HB1      GLN   5   3.687  -4.592  -4.426
   34   1HG   GLN   5           HG2      GLN   5   4.403  -3.842  -6.745
   35   2HG   GLN   5           HG1      GLN   5   5.740  -3.528  -5.656
   36   1HE2  GLN   5          HE21      GLN   5   6.450  -5.900  -8.675
   37   2HE2  GLN   5          HE22      GLN   5   4.921  -5.150  -8.541
   38    H    CYS   6           HN       CYS   6   5.026  -5.068  -1.388
   39    HA   CYS   6           HA       CYS   6   7.093  -2.845  -1.544
   40   1HB   CYS   6           HB2      CYS   6   4.528  -2.969   0.085
   41   2HB   CYS   6           HB1      CYS   6   5.760  -1.765   0.292
   42    HG   CYS   6           HG1      CYS   6   4.965  -0.516  -1.715
   43    H    CYS   7           HN       CYS   7   5.538  -5.177   0.429
   44    HA   CYS   7           HA       CYS   7   7.668  -4.971   2.499
   45   1HB   CYS   7           HB2      CYS   7   5.461  -4.537   3.106
   46   2HB   CYS   7           HB1      CYS   7   4.808  -5.804   2.198
   47    HG   CYS   7           HG1      CYS   7   5.367  -7.482   4.105
   48    H    THR   8           HN       THR   8   7.985  -6.123  -0.006
   49    HA   THR   8           HA       THR   8   9.844  -8.233   0.305
   50    HB   THR   8           HB       THR   8   6.979  -9.155   0.151
   51    HG1  THR   8           HG1      THR   8   8.138  -9.560   1.866
   52   1HG2  THR   8          HG21      THR   8   9.278 -10.839  -0.951
   53   2HG2  THR   8          HG23      THR   8   7.623 -11.346  -0.690
   54   3HG2  THR   8          HG22      THR   8   7.991 -10.254  -2.005
   55    H    SER   9           HN       SER   9   9.800  -5.983  -0.948
   56    HA   SER   9           HA       SER   9  11.130  -5.764  -3.211
   57   1HB   SER   9           HB2      SER   9   9.669  -7.402  -4.456
   58   2HB   SER   9           HB1      SER   9   8.272  -6.363  -4.170
   59    HG   SER   9           HG1      SER   9   8.915  -5.497  -5.957
   60    H    ILE  10           HN       ILE  10   9.645  -3.880  -4.833
   61    HA   ILE  10           HA       ILE  10   8.768  -1.836  -2.855
   62    HB   ILE  10           HB       ILE  10  11.008  -1.297  -3.324
   63   1HG1  ILE  10          HG12      ILE  10   9.081   0.552  -3.451
   64   2HG1  ILE  10          HG11      ILE  10  10.754   0.989  -3.733
   65   1HG2  ILE  10          HG21      ILE  10  10.320  -1.387  -6.274
   66   2HG2  ILE  10          HG23      ILE  10  11.852  -0.831  -5.613
   67   3HG2  ILE  10          HG22      ILE  10  11.353  -2.506  -5.406
   68   1HD1  ILE  10           HD1      ILE  10   8.657   0.487  -5.910
   69   2HD1  ILE  10           HD3      ILE  10   9.268   2.047  -5.404
   70   3HD1  ILE  10           HD2      ILE  10  10.329   0.903  -6.202
   71    H    CYS  11           HN       CYS  11   6.899  -1.271  -3.242
   72    HA   CYS  11           HA       CYS  11   5.790  -0.819  -5.949
   73   1HB   CYS  11           HB2      CYS  11   3.924  -2.090  -5.302
   74   2HB   CYS  11           HB1      CYS  11   4.936  -2.628  -4.009
   75    HG   CYS  11           HG1      CYS  11   2.490  -0.940  -3.637
   76    H    SER  12           HN       SER  12   4.995   1.009  -6.151
   77    HA   SER  12           HA       SER  12   5.160   3.172  -4.063
   78   1HB   SER  12           HB2      SER  12   6.899   3.373  -5.725
   79   2HB   SER  12           HB1      SER  12   5.766   3.108  -7.022
   80    HG   SER  12           HG1      SER  12   6.151   5.189  -7.013
   81    H    LEU  13           HN       LEU  13   4.102   5.326  -5.368
   82    HA   LEU  13           HA       LEU  13   1.508   5.341  -4.254
   83   1HB   LEU  13           HB2      LEU  13   2.653   7.419  -4.999
   84   2HB   LEU  13           HB1      LEU  13   2.585   6.907  -6.673
   85    HG   LEU  13           HG       LEU  13   0.083   7.027  -6.634
   86   1HD1  LEU  13          HD11      LEU  13   0.490   8.038  -3.772
   87   2HD1  LEU  13          HD13      LEU  13  -1.027   8.001  -4.664
   88   3HD1  LEU  13          HD12      LEU  13  -0.254   6.505  -4.221
   89   1HD2  LEU  13          HD22      LEU  13   1.448   9.515  -5.509
   90   2HD2  LEU  13          HD21      LEU  13   1.414   9.046  -7.206
   91   3HD2  LEU  13          HD23      LEU  13  -0.075   9.459  -6.386
   92    OH   TYR  14           OH       TYR  14   6.953   5.022  -8.748
   93    H    TYR  14           HN       TYR  14   2.325   5.020  -7.520
   94    HA   TYR  14           HA       TYR  14  -0.200   4.221  -8.635
   95   1HB   TYR  14           HB2      TYR  14   1.467   2.858 -10.329
   96   2HB   TYR  14           HB1      TYR  14   1.162   4.574 -10.430
   97    HD1  TYR  14           HD2      TYR  14   2.652   6.153  -9.310
   98    HD2  TYR  14           HD1      TYR  14   3.680   2.059  -9.777
   99    HE1  TYR  14           HE2      TYR  14   5.009   6.696  -8.838
  100    HE2  TYR  14           HE1      TYR  14   6.041   2.612  -9.311
  101    HH   TYR  14           HH       TYR  14   7.334   5.385  -9.557
  102    H    GLN  15           HN       GLN  15   1.874   2.437  -6.549
  103    HA   GLN  15           HA       GLN  15   0.360   0.009  -7.268
  104   1HB   GLN  15           HB2      GLN  15   2.725   0.393  -5.347
  105   2HB   GLN  15           HB1      GLN  15   2.076  -1.178  -5.782
  106   1HG   GLN  15           HG2      GLN  15   3.378   0.808  -7.758
  107   2HG   GLN  15           HG1      GLN  15   4.134  -0.666  -7.208
  108   1HE2  GLN  15          HE21      GLN  15   1.238  -2.064  -9.380
  109   2HE2  GLN  15          HE22      GLN  15   1.028  -1.728  -7.729
  110    H    LEU  16           HN       LEU  16   0.826   2.050  -4.678
  111    HA   LEU  16           HA       LEU  16  -0.905   0.538  -3.007
  112   1HB   LEU  16           HB2      LEU  16  -0.252   3.582  -2.790
  113   2HB   LEU  16           HB1      LEU  16  -0.916   2.689  -1.467
  114    HG   LEU  16           HG       LEU  16   1.923   3.025  -2.285
  115   1HD1  LEU  16          HD12      LEU  16   1.156   3.523   0.036
  116   2HD1  LEU  16          HD11      LEU  16   0.757   1.839   0.304
  117   3HD1  LEU  16          HD13      LEU  16   2.408   2.301   0.057
  118   1HD2  LEU  16          HD21      LEU  16   1.813   0.687  -3.080
  119   2HD2  LEU  16          HD23      LEU  16   2.810   0.846  -1.663
  120   3HD2  LEU  16          HD22      LEU  16   1.233   0.168  -1.518
  121    H    GLU  17           HN       GLU  17  -1.500   3.081  -5.285
  122    HA   GLU  17           HA       GLU  17  -4.309   3.341  -4.543
  123   1HB   GLU  17           HB2      GLU  17  -4.528   4.472  -6.771
  124   2HB   GLU  17           HB1      GLU  17  -3.110   5.039  -5.932
  125   1HG   GLU  17           HG2      GLU  17  -1.718   3.388  -7.288
  126   2HG   GLU  17           HG1      GLU  17  -3.146   3.049  -8.251
  127    H    ASN  18           HN       ASN  18  -2.619   1.422  -6.864
  128    HA   ASN  18           HA       ASN  18  -4.576  -0.020  -8.199
  129   1HB   ASN  18           HB2      ASN  18  -2.061  -0.243  -8.514
  130   2HB   ASN  18           HB1      ASN  18  -1.945  -1.076  -6.988
  131   1HD2  ASN  18          HD21      ASN  18  -3.813  -3.682  -9.170
  132   2HD2  ASN  18          HD22      ASN  18  -4.674  -2.429  -8.398
  133    OH   TYR  19           OH       TYR  19  -0.640   0.010  -0.034
  134    H    TYR  19           HN       TYR  19  -3.646  -0.607  -4.897
  135    HA   TYR  19           HA       TYR  19  -5.882  -2.620  -4.608
  136   1HB   TYR  19           HB2      TYR  19  -4.508  -3.649  -2.805
  137   2HB   TYR  19           HB1      TYR  19  -3.422  -3.280  -4.141
  138    HD1  TYR  19           HD2      TYR  19  -4.692  -1.637  -1.042
  139    HD2  TYR  19           HD1      TYR  19  -1.486  -2.453  -3.701
  140    HE1  TYR  19           HE2      TYR  19  -3.139  -0.388   0.414
  141    HE2  TYR  19           HE1      TYR  19   0.014  -1.245  -2.271
  142    HH   TYR  19           HH       TYR  19  -0.187   0.610  -0.637
  143    H    CYS  20           HN       CYS  20  -4.689   0.378  -3.493
  144    HA   CYS  20           HA       CYS  20  -6.959   0.890  -1.559
  145   1HB   CYS  20           HB2      CYS  20  -4.317   0.948  -0.960
  146   2HB   CYS  20           HB1      CYS  20  -4.403   2.456  -1.784
  147    HG   CYS  20           HG1      CYS  20  -5.437   3.516   0.199
  148    H    ASN  21           HN       ASN  21  -7.998   0.927  -3.656
  149    HA   ASN  21           HA       ASN  21  -8.029   2.174  -5.904
  150   1HB   ASN  21           HB2      ASN  21 -10.465   3.010  -5.277
  151   2HB   ASN  21           HB1      ASN  21 -10.093   1.299  -5.093
  152   1HD2  ASN  21          HD21      ASN  21 -10.656   3.656  -1.873
  153   2HD2  ASN  21          HD22      ASN  21 -10.511   4.305  -3.403
  154    H    PHE   1           HN       PHE   1   6.781   6.479  -5.660
  155    HA   PHE   1           HA       PHE   1   7.570   8.885  -4.079
  156   1HB   PHE   1           HB2      PHE   1   5.152   8.588  -4.712
  157   2HB   PHE   1           HB1      PHE   1   5.117   7.056  -3.867
  158    HD1  PHE   1           HD2      PHE   1   5.246  10.702  -3.464
  159    HD2  PHE   1           HD1      PHE   1   5.130   6.982  -1.440
  160    HE1  PHE   1           HE2      PHE   1   4.704  11.869  -1.366
  161    HE2  PHE   1           HE1      PHE   1   4.587   8.133   0.670
  162    HZ   PHE   1           HZ       PHE   1   4.375  10.583   0.704
  163    H    VAL   2           HN       VAL   2   7.310   8.401  -1.531
  164    HA   VAL   2           HA       VAL   2   9.285   6.427  -0.999
  165    HB   VAL   2           HB       VAL   2   9.638   8.417  -0.164
  166   1HG1  VAL   2          HG11      VAL   2   6.975   8.277   1.382
  167   2HG1  VAL   2          HG13      VAL   2   8.141   9.559   1.613
  168   3HG1  VAL   2          HG12      VAL   2   7.314   9.404   0.081
  169   1HG2  VAL   2          HG21      VAL   2  10.369   6.661   1.364
  170   2HG2  VAL   2          HG23      VAL   2   9.862   8.026   2.342
  171   3HG2  VAL   2          HG22      VAL   2   8.813   6.637   2.175
  172    H    ASN   3           HN       ASN   3   8.271   4.760  -1.361
  173    HA   ASN   3           HA       ASN   3   6.471   3.477   0.689
  174   1HB   ASN   3           HB2      ASN   3   6.386   3.157  -2.339
  175   2HB   ASN   3           HB1      ASN   3   5.452   2.151  -1.251
  176   1HD2  ASN   3          HD21      ASN   3   3.867   5.582  -0.504
  177   2HD2  ASN   3          HD22      ASN   3   5.238   5.008   0.334
  178    H    GLN   4           HN       GLN   4   9.007   3.005  -1.290
  179    HA   GLN   4           HA       GLN   4  10.155   0.805  -1.791
  180   1HB   GLN   4           HB2      GLN   4  11.134   2.358   0.633
  181   2HB   GLN   4           HB1      GLN   4  12.076   1.061  -0.085
  182   1HG   GLN   4           HG2      GLN   4  12.792   3.341  -0.967
  183   2HG   GLN   4           HG1      GLN   4  12.176   2.344  -2.271
  184   1HE2  GLN   4          HE21      GLN   4   9.989   4.992  -3.033
  185   2HE2  GLN   4          HE22      GLN   4  11.161   3.924  -3.649
  186    H    HIS   5           HN       HIS   5  10.518   0.646   1.610
  187    HA   HIS   5           HA       HIS   5   9.355  -2.119   1.493
  188   1HB   HIS   5           HB2      HIS   5  11.795  -1.237   2.995
  189   2HB   HIS   5           HB1      HIS   5  11.159  -2.877   2.882
  190    HD1  HIS   5           HD1      HIS   5  10.363  -2.745  -0.128
  191    HD2  HIS   5           HD2      HIS   5  14.001  -1.547   1.305
  192    HE1  HIS   5           HE1      HIS   5  11.943  -2.837  -2.040
  193    H    LEU   6           HN       LEU   6   7.552  -0.309   2.269
  194    HA   LEU   6           HA       LEU   6   7.358  -0.307   5.237
  195   1HB   LEU   6           HB2      LEU   6   5.581   0.720   2.971
  196   2HB   LEU   6           HB1      LEU   6   5.205   1.011   4.651
  197    HG   LEU   6           HG       LEU   6   7.754   1.910   3.273
  198   1HD1  LEU   6          HD12      LEU   6   5.607   3.101   2.550
  199   2HD1  LEU   6          HD11      LEU   6   5.275   3.436   4.240
  200   3HD1  LEU   6          HD13      LEU   6   6.658   4.171   3.466
  201   1HD2  LEU   6          HD22      LEU   6   6.543   2.577   6.001
  202   2HD2  LEU   6          HD21      LEU   6   7.984   1.594   5.776
  203   3HD2  LEU   6          HD23      LEU   6   7.995   3.291   5.349
  204    H    CYS   7           HN       CYS   7   5.838  -1.545   6.386
  205    HA   CYS   7           HA       CYS   7   4.461  -3.737   4.834
  206   1HB   CYS   7           HB2      CYS   7   6.643  -4.381   5.786
  207   2HB   CYS   7           HB1      CYS   7   6.007  -4.137   7.391
  208    HG   CYS   7           HG1      CYS   7   4.704  -6.289   7.228
  209    H    GLY   8           HN       GLY   8   4.281  -2.646   8.251
  210   1HA   GLY   8           HA2      GLY   8   1.343  -3.440   8.153
  211   2HA   GLY   8           HA1      GLY   8   2.308  -3.456   9.630
  212    H    ASP   9           HN       ASP   9   2.126  -1.740  10.899
  213    HA   ASP   9           HA       ASP   9   0.377   0.452  10.494
  214   1HB   ASP   9           HB2      ASP   9   1.866   1.265  12.541
  215   2HB   ASP   9           HB1      ASP   9   1.168  -0.335  12.743
  216    H    HIS  10           HN       HIS  10   3.751   0.148  10.153
  217    HA   HIS  10           HA       HIS  10   4.174   2.680   8.738
  218   1HB   HIS  10           HB2      HIS  10   6.446   2.064   9.048
  219   2HB   HIS  10           HB1      HIS  10   5.540   1.611  10.499
  220    HD1  HIS  10           HD1      HIS  10   6.899   0.042   7.503
  221    HD2  HIS  10           HD2      HIS  10   5.746  -1.107  11.204
  222    HE1  HIS  10           HE1      HIS  10   7.557  -2.416   7.715
  223    H    LEU  11           HN       LEU  11   2.667   2.057   7.361
  224    HA   LEU  11           HA       LEU  11   3.227   1.744   4.686
  225   1HB   LEU  11           HB2      LEU  11   3.761  -0.680   5.098
  226   2HB   LEU  11           HB1      LEU  11   2.229  -0.918   5.899
  227    HG   LEU  11           HG       LEU  11   1.055  -0.335   3.739
  228   1HD1  LEU  11          HD12      LEU  11   2.939   1.085   2.763
  229   2HD1  LEU  11          HD11      LEU  11   3.889  -0.388   2.599
  230   3HD1  LEU  11          HD13      LEU  11   2.421  -0.172   1.676
  231   1HD2  LEU  11          HD22      LEU  11   3.150  -2.499   3.522
  232   2HD2  LEU  11          HD21      LEU  11   1.577  -2.652   4.298
  233   3HD2  LEU  11          HD23      LEU  11   1.678  -2.367   2.580
  234    H    VAL  12           HN       VAL  12   0.682   0.438   6.833
  235    HA   VAL  12           HA       VAL  12  -1.621   1.192   5.339
  236    HB   VAL  12           HB       VAL  12  -1.949  -0.012   7.307
  237   1HG1  VAL  12          HG11      VAL  12  -0.811   2.459   8.794
  238   2HG1  VAL  12          HG13      VAL  12  -1.468   1.033   9.578
  239   3HG1  VAL  12          HG12      VAL  12  -0.051   0.907   8.567
  240   1HG2  VAL  12          HG21      VAL  12  -3.731   1.658   6.703
  241   2HG2  VAL  12          HG23      VAL  12  -3.662   1.448   8.453
  242   3HG2  VAL  12          HG22      VAL  12  -2.955   2.869   7.711
  243    H    GLU  13           HN       GLU  13   0.415   3.103   7.415
  244    HA   GLU  13           HA       GLU  13  -0.740   5.594   7.597
  245   1HB   GLU  13           HB2      GLU  13   1.563   6.415   7.801
  246   2HB   GLU  13           HB1      GLU  13   1.549   4.785   8.438
  247   1HG   GLU  13           HG2      GLU  13   2.270   4.016   6.016
  248   2HG   GLU  13           HG1      GLU  13   2.576   5.707   5.705
  249    H    ALA  14           HN       ALA  14   0.373   4.150   4.641
  250    HA   ALA  14           HA       ALA  14   0.032   6.629   3.147
  251   1HB   ALA  14           HB2      ALA  14   2.138   5.187   2.874
  252   2HB   ALA  14           HB1      ALA  14   1.147   3.817   2.439
  253   3HB   ALA  14           HB3      ALA  14   1.260   5.199   1.351
  254    H    LEU  15           HN       LEU  15  -1.116   3.319   3.310
  255    HA   LEU  15           HA       LEU  15  -3.071   3.284   1.342
  256   1HB   LEU  15           HB2      LEU  15  -3.057   2.218   4.177
  257   2HB   LEU  15           HB1      LEU  15  -4.291   1.825   3.013
  258    HG   LEU  15           HG       LEU  15  -2.397   1.209   1.438
  259   1HD1  LEU  15          HD12      LEU  15  -0.414   2.017   2.381
  260   2HD1  LEU  15          HD11      LEU  15  -0.639   0.978   3.777
  261   3HD1  LEU  15          HD13      LEU  15  -0.415   0.295   2.220
  262   1HD2  LEU  15          HD21      LEU  15  -3.922  -0.351   2.758
  263   2HD2  LEU  15          HD23      LEU  15  -2.335  -1.078   2.630
  264   3HD2  LEU  15          HD22      LEU  15  -2.822  -0.292   4.104
  265    OH   TYR  16           OH       TYR  16  -8.541   8.598   9.243
  266    H    TYR  16           HN       TYR  16  -3.349   4.534   4.529
  267    HA   TYR  16           HA       TYR  16  -6.029   5.548   4.560
  268   1HB   TYR  16           HB2      TYR  16  -4.298   5.162   6.495
  269   2HB   TYR  16           HB1      TYR  16  -3.644   6.729   6.074
  270    HD1  TYR  16           HD1      TYR  16  -5.471   8.699   5.924
  271    HD2  TYR  16           HD2      TYR  16  -6.000   5.068   8.075
  272    HE1  TYR  16           HE1      TYR  16  -7.211   9.755   7.308
  273    HE2  TYR  16           HE2      TYR  16  -7.744   6.165   9.451
  274    HH   TYR  16           HH       TYR  16  -8.269   9.506   9.382
  275    H    LEU  17           HN       LEU  17  -3.163   6.880   3.292
  276    HA   LEU  17           HA       LEU  17  -4.259   9.569   2.730
  277   1HB   LEU  17           HB2      LEU  17  -1.615   8.238   2.807
  278   2HB   LEU  17           HB1      LEU  17  -1.769   9.242   1.383
  279    HG   LEU  17           HG       LEU  17  -2.381  11.184   2.853
  280   1HD1  LEU  17          HD11      LEU  17  -1.706   9.206   5.091
  281   2HD1  LEU  17          HD13      LEU  17  -2.057  10.913   5.305
  282   3HD1  LEU  17          HD12      LEU  17  -3.316   9.820   4.764
  283   1HD2  LEU  17          HD21      LEU  17   0.000  10.701   2.225
  284   2HD2  LEU  17          HD23      LEU  17  -0.101  11.418   3.822
  285   3HD2  LEU  17          HD22      LEU  17   0.162   9.691   3.655
  286    H    VAL  18           HN       VAL  18  -3.278   6.790   0.858
  287    HA   VAL  18           HA       VAL  18  -4.093   7.936  -1.728
  288    HB   VAL  18           HB       VAL  18  -2.285   6.291  -1.501
  289   1HG1  VAL  18          HG12      VAL  18  -3.384   4.844   0.158
  290   2HG1  VAL  18          HG11      VAL  18  -4.544   4.361  -1.078
  291   3HG1  VAL  18          HG13      VAL  18  -2.849   3.917  -1.242
  292   1HG2  VAL  18          HG21      VAL  18  -3.444   6.599  -3.693
  293   2HG2  VAL  18          HG23      VAL  18  -2.937   4.939  -3.494
  294   3HG2  VAL  18          HG22      VAL  18  -4.618   5.379  -3.258
  295    H    CYS  19           HN       CYS  19  -5.760   5.438   0.363
  296    HA   CYS  19           HA       CYS  19  -8.255   6.000  -1.204
  297   1HB   CYS  19           HB2      CYS  19  -8.886   3.739  -1.005
  298   2HB   CYS  19           HB1      CYS  19  -7.230   3.811  -1.525
  299    HG   CYS  19           HG1      CYS  19  -8.127   2.809   1.264
  300    H    GLY  20           HN       GLY  20  -8.487   7.682   0.575
  301   1HA   GLY  20           HA2      GLY  20  -9.702   6.545   3.107
  302   2HA   GLY  20           HA1      GLY  20  -9.209   8.221   2.913
  303    H    GLU  21           HN       GLU  21 -10.988   6.345   0.756
  304    HA   GLU  21           HA       GLU  21 -13.514   7.914   1.107
  305   1HB   GLU  21           HB2      GLU  21 -13.356   6.790  -1.544
  306   2HB   GLU  21           HB1      GLU  21 -13.383   8.480  -1.126
  307   1HG   GLU  21           HG2      GLU  21 -11.352   8.212  -2.392
  308   2HG   GLU  21           HG1      GLU  21 -10.716   8.106  -0.781
  309    NH1  ARG  22           NH2      ARG  22 -13.183  -0.903   0.971
  310    NH2  ARG  22           NH1      ARG  22 -12.025  -2.201  -0.363
  311    H    ARG  22           HN       ARG  22 -12.293   5.010  -0.097
  312    HA   ARG  22           HA       ARG  22 -14.699   3.543   0.342
  313   1HB   ARG  22           HB2      ARG  22 -13.826   3.751  -2.021
  314   2HB   ARG  22           HB1      ARG  22 -12.339   3.061  -1.485
  315   1HG   ARG  22           HG2      ARG  22 -14.711   1.350  -0.837
  316   2HG   ARG  22           HG1      ARG  22 -14.418   1.572  -2.553
  317   1HD   ARG  22           HD2      ARG  22 -12.284   0.738  -2.475
  318   2HD   ARG  22           HD1      ARG  22 -12.042   1.071  -0.778
  319    HE   ARG  22           HE       ARG  22 -13.981  -1.116  -1.684
  320   1HH1  ARG  22          HH22      ARG  22 -13.836  -0.159   1.060
  321   2HH1  ARG  22          HH21      ARG  22 -12.799  -1.354   1.770
  322   1HH2  ARG  22          HH12      ARG  22 -11.790  -2.451  -1.297
  323   2HH2  ARG  22          HH11      ARG  22 -11.624  -2.678   0.413
  324    H    GLY  23           HN       GLY  23 -11.444   3.204   0.914
  325   1HA   GLY  23           HA2      GLY  23 -10.450   2.050   2.914
  326   2HA   GLY  23           HA1      GLY  23 -11.955   1.206   3.119
  327    H    PHE  24           HN       PHE  24  -9.381   1.366   0.829
  328    HA   PHE  24           HA       PHE  24  -8.734  -0.376  -0.739
  329   1HB   PHE  24           HB2      PHE  24  -6.714  -1.348   0.640
  330   2HB   PHE  24           HB1      PHE  24  -6.852   0.385   0.467
  331    HD1  PHE  24           HD1      PHE  24  -8.439  -2.204   2.712
  332    HD2  PHE  24           HD2      PHE  24  -6.424   1.528   2.442
  333    HE1  PHE  24           HE1      PHE  24  -8.582  -1.956   5.135
  334    HE2  PHE  24           HE2      PHE  24  -6.566   1.782   4.874
  335    HZ   PHE  24           HZ       PHE  24  -7.649   0.039   6.232
  336    H    PHE  25           HN       PHE  25  -7.770  -2.342  -1.167
  337    HA   PHE  25           HA       PHE  25  -9.125  -4.795  -0.081
  338   1HB   PHE  25           HB2      PHE  25  -8.187  -4.354  -2.975
  339   2HB   PHE  25           HB1      PHE  25  -9.187  -5.668  -2.400
  340    HD1  PHE  25           HD1      PHE  25  -9.139  -2.012  -2.978
  341    HD2  PHE  25           HD2      PHE  25 -11.578  -5.442  -2.436
  342    HE1  PHE  25           HE1      PHE  25 -11.097  -0.701  -3.627
  343    HE2  PHE  25           HE2      PHE  25 -13.561  -4.141  -3.090
  344    HZ   PHE  25           HZ       PHE  25 -13.327  -1.760  -3.693
  345    OH   TYR  26           OH       TYR  26  -5.120  -1.636   4.462
  346    H    TYR  26           HN       TYR  26  -7.565  -6.571   0.195
  347    HA   TYR  26           HA       TYR  26  -4.699  -5.796  -0.249
  348   1HB   TYR  26           HB2      TYR  26  -6.010  -7.181   2.112
  349   2HB   TYR  26           HB1      TYR  26  -4.267  -7.096   1.907
  350    HD1  TYR  26           HD2      TYR  26  -4.637  -4.044   0.707
  351    HD2  TYR  26           HD1      TYR  26  -5.708  -6.103   4.279
  352    HE1  TYR  26           HE2      TYR  26  -4.622  -1.961   1.923
  353    HE2  TYR  26           HE1      TYR  26  -5.668  -3.944   5.487
  354    HH   TYR  26           HH       TYR  26  -5.937  -1.185   4.214
  355    H    THR  27           HN       THR  27  -3.780  -6.867  -1.628
  356    HA   THR  27           HA       THR  27  -3.962  -8.726  -3.334
  357    HB   THR  27           HB       THR  27  -1.425  -9.254  -1.733
  358    HG1  THR  27           HG1      THR  27  -0.851  -7.218  -1.946
  359   1HG2  THR  27          HG22      THR  27  -1.755  -9.352  -4.391
  360   2HG2  THR  27          HG21      THR  27  -2.006  -7.627  -4.280
  361   3HG2  THR  27          HG23      THR  27  -0.473  -8.319  -3.822
  362    HA   PRO  28           HA       PRO  28  -4.163 -12.887  -1.451
  363   1HB   PRO  28           HB2      PRO  28  -1.248 -13.095  -0.593
  364   2HB   PRO  28           HB1      PRO  28  -2.338 -14.410  -1.066
  365   1HG   PRO  28           HG2      PRO  28  -0.833 -13.393  -2.983
  366   2HG   PRO  28           HG1      PRO  28  -2.562 -13.502  -3.330
  367   1HD   PRO  28           HD1      PRO  28  -0.935 -11.083  -2.502
  368   2HD   PRO  28           HD2      PRO  28  -2.246 -11.204  -3.696
  369    H    LYS  29           HN       LYS  29  -5.033 -11.000   0.038
  370    HA   LYS  29           HA       LYS  29  -4.854 -12.032   2.833
  371   1HB   LYS  29           HB2      LYS  29  -5.096  -9.089   2.052
  372   2HB   LYS  29           HB1      LYS  29  -4.972  -9.663   3.692
  373   1HG   LYS  29           HG2      LYS  29  -2.805  -9.898   1.557
  374   2HG   LYS  29           HG1      LYS  29  -2.806  -8.727   2.853
  375   1HD   LYS  29           HD2      LYS  29  -2.113 -10.224   4.448
  376   2HD   LYS  29           HD1      LYS  29  -3.209 -11.464   3.920
  377   1HE   LYS  29           HE2      LYS  29  -1.298 -11.369   1.845
  378   2HE   LYS  29           HE1      LYS  29  -0.340 -11.061   3.288
  379   1HZ   LYS  29           HZ1      LYS  29  -2.251 -13.046   3.906
  380   2HZ   LYS  29           HZ3      LYS  29  -1.631 -13.460   2.441
  381   3HZ   LYS  29           HZ2      LYS  29  -0.572 -13.307   3.786
  382    H    THR  30           HN       THR  30  -6.593 -10.158   0.737
  383    HA   THR  30           HA       THR  30  -9.250 -11.053   1.886
  384    HB   THR  30           HB       THR  30 -10.243  -8.848   1.040
  385    HG1  THR  30           HG1      THR  30  -7.600  -8.742   0.125
  386   1HG2  THR  30          HG21      THR  30  -7.693  -8.437   2.686
  387   2HG2  THR  30          HG23      THR  30  -9.082  -7.369   2.619
  388   3HG2  THR  30          HG22      THR  30  -9.217  -8.940   3.395
   
  Start of MODEL          19
 Raw file had  388 H/Q atoms
  Start of MODEL   19
    1    H    GLY   1           HN       GLY   1   4.850  -0.915   2.347
    2   1HA   GLY   1           HA2      GLY   1   3.151   0.436   0.916
    3   2HA   GLY   1           HA1      GLY   1   3.889  -0.352  -0.441
    4    H    ILE   2           HN       ILE   2   3.809  -2.458   1.895
    5    HA   ILE   2           HA       ILE   2   2.459  -4.030   2.852
    6    HB   ILE   2           HB       ILE   2   0.399  -2.491   1.771
    7   1HG1  ILE   2          HG12      ILE   2  -0.684  -5.212   2.289
    8   2HG1  ILE   2          HG11      ILE   2   0.329  -4.596   3.583
    9   1HG2  ILE   2          HG22      ILE   2   0.639  -3.458  -0.484
   10   2HG2  ILE   2          HG21      ILE   2   0.170  -5.023   0.124
   11   3HG2  ILE   2          HG23      ILE   2  -0.962  -3.686   0.191
   12   1HD1  ILE   2           HD2      ILE   2  -1.001  -2.465   3.624
   13   2HD1  ILE   2           HD1      ILE   2  -2.042  -3.078   2.359
   14   3HD1  ILE   2           HD3      ILE   2  -2.025  -3.830   3.942
   15    H    VAL   3           HN       VAL   3   1.929  -5.816   3.008
   16    HA   VAL   3           HA       VAL   3   2.881  -7.933   2.927
   17    HB   VAL   3           HB       VAL   3   0.320  -7.543   2.302
   18   1HG1  VAL   3          HG12      VAL   3   0.647  -6.987  -0.020
   19   2HG1  VAL   3          HG11      VAL   3   1.274  -8.566  -0.372
   20   3HG1  VAL   3          HG13      VAL   3  -0.396  -8.384   0.116
   21   1HG2  VAL   3          HG22      VAL   3   1.521 -10.291   1.816
   22   2HG2  VAL   3          HG21      VAL   3   0.962  -9.628   3.324
   23   3HG2  VAL   3          HG23      VAL   3  -0.179  -9.950   2.042
   24    H    GLU   4           HN       GLU   4   2.622  -9.901   0.522
   25    HA   GLU   4           HA       GLU   4   5.439  -9.659   0.074
   26   1HB   GLU   4           HB2      GLU   4   5.119 -11.719  -1.243
   27   2HB   GLU   4           HB1      GLU   4   3.987 -11.811   0.087
   28   1HG   GLU   4           HG2      GLU   4   3.310 -10.991  -2.797
   29   2HG   GLU   4           HG1      GLU   4   2.860 -12.495  -2.046
   30    H    GLN   5           HN       GLN   5   3.816  -7.518  -0.943
   31    HA   GLN   5           HA       GLN   5   5.059  -7.209  -3.641
   32   1HB   GLN   5           HB2      GLN   5   2.475  -7.308  -3.429
   33   2HB   GLN   5           HB1      GLN   5   2.565  -5.843  -2.461
   34   1HG   GLN   5           HG2      GLN   5   2.996  -4.497  -4.331
   35   2HG   GLN   5           HG1      GLN   5   4.100  -5.656  -5.043
   36   1HE2  GLN   5          HE21      GLN   5   0.475  -5.399  -6.513
   37   2HE2  GLN   5          HE22      GLN   5   1.109  -4.284  -5.383
   38    H    CYS   6           HN       CYS   6   4.540  -5.839  -0.306
   39    HA   CYS   6           HA       CYS   6   6.856  -4.055  -1.037
   40   1HB   CYS   6           HB2      CYS   6   4.138  -3.290  -0.636
   41   2HB   CYS   6           HB1      CYS   6   5.161  -2.657   0.636
   42    HG   CYS   6           HG1      CYS   6   6.558  -1.446  -1.175
   43    H    CYS   7           HN       CYS   7   5.131  -5.808   1.282
   44    HA   CYS   7           HA       CYS   7   7.155  -5.279   3.426
   45   1HB   CYS   7           HB2      CYS   7   4.949  -4.374   3.857
   46   2HB   CYS   7           HB1      CYS   7   4.179  -5.860   3.409
   47    HG   CYS   7           HG1      CYS   7   4.715  -6.876   5.678
   48    H    THR   8           HN       THR   8   7.704  -6.634   1.594
   49    HA   THR   8           HA       THR   8   9.201  -8.779   1.850
   50    HB   THR   8           HB       THR   8   6.345  -9.976   1.932
   51    HG1  THR   8           HG1      THR   8   7.137  -9.695   3.890
   52   1HG2  THR   8          HG21      THR   8   9.066 -11.364   1.911
   53   2HG2  THR   8          HG23      THR   8   7.484 -12.118   1.970
   54   3HG2  THR   8          HG22      THR   8   8.042 -11.383   0.477
   55    H    SER   9           HN       SER   9   9.242  -7.071   0.151
   56    HA   SER   9           HA       SER   9   9.992  -7.535  -2.316
   57   1HB   SER   9           HB2      SER   9   7.980  -9.011  -2.873
   58   2HB   SER   9           HB1      SER   9   6.941  -7.616  -2.597
   59    HG   SER   9           HG1      SER   9   7.430  -7.289  -4.671
   60    H    ILE  10           HN       ILE  10   8.805  -5.678  -4.018
   61    HA   ILE  10           HA       ILE  10   8.464  -3.210  -2.441
   62    HB   ILE  10           HB       ILE  10  10.483  -3.708  -4.591
   63   1HG1  ILE  10          HG12      ILE  10  10.432  -2.202  -1.961
   64   2HG1  ILE  10          HG11      ILE  10  10.945  -3.851  -2.153
   65   1HG2  ILE  10          HG21      ILE  10   9.304  -0.932  -3.856
   66   2HG2  ILE  10          HG23      ILE  10  10.723  -1.167  -4.857
   67   3HG2  ILE  10          HG22      ILE  10   9.169  -1.689  -5.427
   68   1HD1  ILE  10           HD2      ILE  10  12.812  -3.111  -3.688
   69   2HD1  ILE  10           HD1      ILE  10  12.318  -1.439  -3.475
   70   3HD1  ILE  10           HD3      ILE  10  12.934  -2.343  -2.117
   71    H    CYS  11           HN       CYS  11   7.248  -1.929  -3.041
   72    HA   CYS  11           HA       CYS  11   5.951  -1.756  -5.687
   73   1HB   CYS  11           HB2      CYS  11   3.755  -2.010  -4.804
   74   2HB   CYS  11           HB1      CYS  11   4.696  -3.094  -3.831
   75    HG   CYS  11           HG1      CYS  11   3.318  -0.581  -2.792
   76    H    SER  12           HN       SER  12   4.576  -0.137  -5.613
   77    HA   SER  12           HA       SER  12   5.556   2.640  -4.896
   78   1HB   SER  12           HB2      SER  12   5.912   2.121  -7.266
   79   2HB   SER  12           HB1      SER  12   4.173   1.835  -7.452
   80    HG   SER  12           HG1      SER  12   5.311   4.218  -7.511
   81    H    LEU  13           HN       LEU  13   4.260   4.461  -5.047
   82    HA   LEU  13           HA       LEU  13   1.923   4.337  -3.306
   83   1HB   LEU  13           HB2      LEU  13   3.340   6.446  -3.649
   84   2HB   LEU  13           HB1      LEU  13   2.882   6.479  -5.337
   85    HG   LEU  13           HG       LEU  13   0.501   6.906  -4.679
   86   1HD1  LEU  13          HD11      LEU  13   1.680   6.993  -1.855
   87   2HD1  LEU  13          HD13      LEU  13   0.037   7.426  -2.314
   88   3HD1  LEU  13          HD12      LEU  13   0.572   5.772  -2.467
   89   1HD2  LEU  13          HD22      LEU  13   2.559   8.747  -3.351
   90   2HD2  LEU  13          HD21      LEU  13   2.108   8.783  -5.053
   91   3HD2  LEU  13          HD23      LEU  13   0.921   9.181  -3.828
   92    OH   TYR  14           OH       TYR  14   6.152   5.384  -9.310
   93    H    TYR  14           HN       TYR  14   2.135   4.892  -6.736
   94    HA   TYR  14           HA       TYR  14  -0.710   4.643  -7.213
   95   1HB   TYR  14           HB2      TYR  14   0.326   3.573  -9.578
   96   2HB   TYR  14           HB1      TYR  14   0.088   5.272  -9.263
   97    HD1  TYR  14           HD1      TYR  14   1.953   6.561  -8.169
   98    HD2  TYR  14           HD2      TYR  14   2.527   2.786 -10.013
   99    HE1  TYR  14           HE1      TYR  14   4.359   7.007  -8.321
  100    HE2  TYR  14           HE2      TYR  14   4.942   3.227 -10.167
  101    HH   TYR  14           HH       TYR  14   6.335   5.537 -10.245
  102    H    GLN  15           HN       GLN  15   1.642   2.357  -6.241
  103    HA   GLN  15           HA       GLN  15  -0.122   0.176  -7.115
  104   1HB   GLN  15           HB2      GLN  15   2.686   0.432  -6.172
  105   2HB   GLN  15           HB1      GLN  15   1.873  -0.946  -5.460
  106   1HG   GLN  15           HG2      GLN  15   2.097  -0.358  -8.498
  107   2HG   GLN  15           HG1      GLN  15   2.982  -1.626  -7.655
  108   1HE2  GLN  15          HE21      GLN  15  -0.499  -2.673  -8.960
  109   2HE2  GLN  15          HE22      GLN  15   0.434  -1.454  -9.703
  110    H    LEU  16           HN       LEU  16   0.756   1.734  -4.249
  111    HA   LEU  16           HA       LEU  16  -0.635   0.286  -2.298
  112   1HB   LEU  16           HB2      LEU  16  -0.083   3.252  -2.543
  113   2HB   LEU  16           HB1      LEU  16  -1.273   2.804  -1.365
  114    HG   LEU  16           HG       LEU  16   1.054   3.066  -0.410
  115   1HD1  LEU  16          HD12      LEU  16  -0.621   1.600   0.754
  116   2HD1  LEU  16          HD11      LEU  16  -0.089   0.235  -0.210
  117   3HD1  LEU  16          HD13      LEU  16   1.005   0.979   0.915
  118   1HD2  LEU  16          HD21      LEU  16   2.253   2.063  -2.359
  119   2HD2  LEU  16          HD23      LEU  16   2.699   1.322  -0.861
  120   3HD2  LEU  16          HD22      LEU  16   1.614   0.482  -1.946
  121    H    GLU  17           HN       GLU  17  -1.669   2.728  -4.416
  122    HA   GLU  17           HA       GLU  17  -4.471   3.003  -4.001
  123   1HB   GLU  17           HB2      GLU  17  -2.993   3.057  -6.694
  124   2HB   GLU  17           HB1      GLU  17  -4.535   3.816  -6.366
  125   1HG   GLU  17           HG2      GLU  17  -3.515   5.256  -4.655
  126   2HG   GLU  17           HG1      GLU  17  -1.970   4.494  -4.842
  127    H    ASN  18           HN       ASN  18  -2.834   0.500  -5.577
  128    HA   ASN  18           HA       ASN  18  -5.089  -0.896  -6.796
  129   1HB   ASN  18           HB2      ASN  18  -2.670  -0.817  -7.617
  130   2HB   ASN  18           HB1      ASN  18  -2.205  -1.764  -6.240
  131   1HD2  ASN  18          HD21      ASN  18  -4.161  -4.419  -8.183
  132   2HD2  ASN  18          HD22      ASN  18  -4.929  -3.374  -7.079
  133    OH   TYR  19           OH       TYR  19   1.212  -2.725  -4.352
  134    H    TYR  19           HN       TYR  19  -4.053  -0.739  -3.649
  135    HA   TYR  19           HA       TYR  19  -5.362  -3.331  -2.821
  136   1HB   TYR  19           HB2      TYR  19  -3.659  -1.764  -0.861
  137   2HB   TYR  19           HB1      TYR  19  -3.818  -3.501  -1.025
  138    HD1  TYR  19           HD2      TYR  19  -3.162  -3.713  -3.959
  139    HD2  TYR  19           HD1      TYR  19  -1.311  -1.546  -0.815
  140    HE1  TYR  19           HE2      TYR  19  -1.021  -3.748  -5.189
  141    HE2  TYR  19           HE1      TYR  19   0.818  -1.607  -2.060
  142    HH   TYR  19           HH       TYR  19   0.922  -2.635  -5.264
  143    H    CYS  20           HN       CYS  20  -4.990   0.029  -2.080
  144    HA   CYS  20           HA       CYS  20  -7.520   0.026  -0.525
  145   1HB   CYS  20           HB2      CYS  20  -5.293   0.247   0.493
  146   2HB   CYS  20           HB1      CYS  20  -5.242   1.868  -0.157
  147    HG   CYS  20           HG1      CYS  20  -6.947   0.928   2.230
  148    H    ASN  21           HN       ASN  21  -9.024   0.782  -1.583
  149    HA   ASN  21           HA       ASN  21  -8.825   3.271  -3.272
  150   1HB   ASN  21           HB2      ASN  21 -10.610   2.263  -4.716
  151   2HB   ASN  21           HB1      ASN  21  -9.252   1.163  -4.543
  152   1HD2  ASN  21          HD21      ASN  21 -12.746  -0.213  -3.526
  153   2HD2  ASN  21          HD22      ASN  21 -12.570   1.188  -4.483
  154    H    PHE   1           HN       PHE   1   6.407   6.776  -8.047
  155    HA   PHE   1           HA       PHE   1   8.191   7.473  -6.069
  156   1HB   PHE   1           HB2      PHE   1   6.468   9.026  -5.176
  157   2HB   PHE   1           HB1      PHE   1   5.359   7.684  -4.969
  158    HD1  PHE   1           HD2      PHE   1   8.837   6.836  -4.127
  159    HD2  PHE   1           HD1      PHE   1   5.248   8.554  -2.601
  160    HE1  PHE   1           HE2      PHE   1   9.641   6.482  -1.858
  161    HE2  PHE   1           HE1      PHE   1   6.070   8.196  -0.318
  162    HZ   PHE   1           HZ       PHE   1   8.270   7.159   0.058
  163    H    VAL   2           HN       VAL   2   8.961   5.388  -6.321
  164    HA   VAL   2           HA       VAL   2   7.328   3.103  -5.873
  165    HB   VAL   2           HB       VAL   2   9.433   1.856  -6.254
  166   1HG1  VAL   2          HG11      VAL   2   8.642   3.941  -8.375
  167   2HG1  VAL   2          HG13      VAL   2   9.560   2.490  -8.720
  168   3HG1  VAL   2          HG12      VAL   2   7.906   2.363  -8.174
  169   1HG2  VAL   2          HG21      VAL   2  11.096   3.602  -5.576
  170   2HG2  VAL   2          HG23      VAL   2  11.381   3.110  -7.228
  171   3HG2  VAL   2          HG22      VAL   2  10.590   4.634  -6.905
  172    H    ASN   3           HN       ASN   3   7.008   4.088  -3.860
  173    HA   ASN   3           HA       ASN   3   7.824   4.577  -1.478
  174   1HB   ASN   3           HB2      ASN   3   6.226   2.014  -1.886
  175   2HB   ASN   3           HB1      ASN   3   6.213   3.000  -0.434
  176   1HD2  ASN   3          HD21      ASN   3   4.769   5.495  -3.009
  177   2HD2  ASN   3          HD22      ASN   3   6.432   5.387  -2.674
  178    H    GLN   4           HN       GLN   4   8.311   1.376  -2.170
  179    HA   GLN   4           HA       GLN   4  10.236  -0.027  -1.940
  180   1HB   GLN   4           HB2      GLN   4  10.915   1.823   0.425
  181   2HB   GLN   4           HB1      GLN   4  11.854   0.424  -0.069
  182   1HG   GLN   4           HG2      GLN   4  11.337   2.796  -1.943
  183   2HG   GLN   4           HG1      GLN   4  12.777   2.624  -0.969
  184   1HE2  GLN   4          HE21      GLN   4  12.510   0.644  -4.384
  185   2HE2  GLN   4          HE22      GLN   4  11.252   1.677  -3.841
  186    H    HIS   5           HN       HIS   5  10.226   0.399   1.320
  187    HA   HIS   5           HA       HIS   5   8.522  -2.006   1.812
  188   1HB   HIS   5           HB2      HIS   5  11.083  -1.201   3.180
  189   2HB   HIS   5           HB1      HIS   5  10.091  -2.543   3.700
  190    HD1  HIS   5           HD1      HIS   5   9.448  -3.835   1.113
  191    HD2  HIS   5           HD2      HIS   5  13.170  -2.384   1.906
  192    HE1  HIS   5           HE1      HIS   5  11.051  -5.086  -0.365
  193    H    LEU   6           HN       LEU   6   6.686  -0.421   2.281
  194    HA   LEU   6           HA       LEU   6   6.750   0.542   5.142
  195   1HB   LEU   6           HB2      LEU   6   4.606   0.956   2.927
  196   2HB   LEU   6           HB1      LEU   6   4.492   1.560   4.547
  197    HG   LEU   6           HG       LEU   6   6.325   3.094   4.245
  198   1HD1  LEU   6          HD11      LEU   6   6.628   1.890   1.455
  199   2HD1  LEU   6          HD13      LEU   6   7.469   3.318   2.036
  200   3HD1  LEU   6          HD12      LEU   6   7.818   1.769   2.744
  201   1HD2  LEU   6          HD21      LEU   6   4.092   3.752   3.367
  202   2HD2  LEU   6          HD23      LEU   6   5.371   4.460   2.405
  203   3HD2  LEU   6          HD22      LEU   6   4.489   3.068   1.801
  204    H    CYS   7           HN       CYS   7   5.721  -0.761   6.690
  205    HA   CYS   7           HA       CYS   7   4.172  -3.149   5.722
  206   1HB   CYS   7           HB2      CYS   7   6.478  -3.628   6.350
  207   2HB   CYS   7           HB1      CYS   7   6.178  -3.055   7.964
  208    HG   CYS   7           HG1      CYS   7   4.886  -5.160   8.497
  209    H    GLY   8           HN       GLY   8   4.428  -1.151   8.631
  210   1HA   GLY   8           HA2      GLY   8   1.714  -2.221   9.483
  211   2HA   GLY   8           HA1      GLY   8   2.929  -1.653  10.621
  212    H    ASP   9           HN       ASP   9   2.507   0.270  11.451
  213    HA   ASP   9           HA       ASP   9   0.352   1.904  10.799
  214   1HB   ASP   9           HB2      ASP   9   1.948   3.584  12.149
  215   2HB   ASP   9           HB1      ASP   9   1.433   2.133  12.966
  216    H    HIS  10           HN       HIS  10   3.698   2.517   9.913
  217    HA   HIS  10           HA       HIS  10   3.204   4.686   8.118
  218   1HB   HIS  10           HB2      HIS  10   5.464   4.318   7.387
  219   2HB   HIS  10           HB1      HIS  10   5.285   4.133   9.143
  220    HD1  HIS  10           HD1      HIS  10   7.354   2.721   7.029
  221    HD2  HIS  10           HD2      HIS  10   4.474   0.925   9.251
  222    HE1  HIS  10           HE1      HIS  10   8.025   0.312   7.233
  223    H    LEU  11           HN       LEU  11   2.115   1.748   7.620
  224    HA   LEU  11           HA       LEU  11   2.249   1.731   4.596
  225   1HB   LEU  11           HB2      LEU  11   3.051  -0.330   5.588
  226   2HB   LEU  11           HB1      LEU  11   1.659  -0.461   6.631
  227    HG   LEU  11           HG       LEU  11   0.144  -0.712   4.756
  228   1HD1  LEU  11          HD11      LEU  11   2.659  -0.436   3.053
  229   2HD1  LEU  11          HD13      LEU  11   1.041  -0.798   2.460
  230   3HD1  LEU  11          HD12      LEU  11   1.377   0.763   3.107
  231   1HD2  LEU  11          HD22      LEU  11   2.659  -2.370   4.512
  232   2HD2  LEU  11          HD21      LEU  11   1.319  -2.661   5.619
  233   3HD2  LEU  11          HD23      LEU  11   1.074  -2.768   3.906
  234    H    VAL  12           HN       VAL  12   0.142   1.088   7.324
  235    HA   VAL  12           HA       VAL  12  -2.328   1.265   5.933
  236    HB   VAL  12           HB       VAL  12  -2.413   0.468   8.178
  237   1HG1  VAL  12          HG11      VAL  12  -1.345   3.212   9.049
  238   2HG1  VAL  12          HG13      VAL  12  -1.816   1.922  10.127
  239   3HG1  VAL  12          HG12      VAL  12  -0.496   1.681   9.017
  240   1HG2  VAL  12          HG21      VAL  12  -4.367   1.952   7.427
  241   2HG2  VAL  12          HG23      VAL  12  -4.125   2.058   9.172
  242   3HG2  VAL  12          HG22      VAL  12  -3.562   3.340   8.127
  243    H    GLU  13           HN       GLU  13  -0.563   3.880   7.593
  244    HA   GLU  13           HA       GLU  13  -2.239   6.059   7.120
  245   1HB   GLU  13           HB2      GLU  13   0.798   5.911   6.878
  246   2HB   GLU  13           HB1      GLU  13  -0.091   7.416   6.958
  247   1HG   GLU  13           HG2      GLU  13  -1.000   6.695   9.229
  248   2HG   GLU  13           HG1      GLU  13   0.024   5.277   9.150
  249    H    ALA  14           HN       ALA  14  -0.063   4.498   4.956
  250    HA   ALA  14           HA       ALA  14  -0.607   6.317   2.820
  251   1HB   ALA  14           HB2      ALA  14   1.635   5.169   3.080
  252   2HB   ALA  14           HB1      ALA  14   0.874   3.601   2.901
  253   3HB   ALA  14           HB3      ALA  14   0.963   4.691   1.527
  254    H    LEU  15           HN       LEU  15  -1.488   2.921   3.240
  255    HA   LEU  15           HA       LEU  15  -3.049   2.912   0.794
  256   1HB   LEU  15           HB2      LEU  15  -4.342   1.013   1.966
  257   2HB   LEU  15           HB1      LEU  15  -2.665   0.777   1.555
  258    HG   LEU  15           HG       LEU  15  -2.189   1.168   3.943
  259   1HD1  LEU  15          HD11      LEU  15  -5.254   0.732   4.061
  260   2HD1  LEU  15          HD13      LEU  15  -4.222   0.725   5.468
  261   3HD1  LEU  15          HD12      LEU  15  -4.496   2.207   4.599
  262   1HD2  LEU  15          HD21      LEU  15  -2.281  -0.984   2.890
  263   2HD2  LEU  15          HD23      LEU  15  -2.936  -1.117   4.514
  264   3HD2  LEU  15          HD22      LEU  15  -4.018  -1.103   3.128
  265    OH   TYR  16           OH       TYR  16 -10.124   7.940   7.602
  266    H    TYR  16           HN       TYR  16  -3.927   3.910   4.078
  267    HA   TYR  16           HA       TYR  16  -6.724   4.390   3.674
  268   1HB   TYR  16           HB2      TYR  16  -5.424   4.411   5.892
  269   2HB   TYR  16           HB1      TYR  16  -4.726   5.947   5.437
  270    HD1  TYR  16           HD1      TYR  16  -8.116   4.336   5.761
  271    HD2  TYR  16           HD2      TYR  16  -5.812   7.883   6.230
  272    HE1  TYR  16           HE1      TYR  16 -10.062   5.501   6.758
  273    HE2  TYR  16           HE2      TYR  16  -7.791   9.004   7.221
  274    HH   TYR  16           HH       TYR  16 -10.429   8.648   7.004
  275    H    LEU  17           HN       LEU  17  -3.928   6.515   3.335
  276    HA   LEU  17           HA       LEU  17  -5.126   8.855   2.314
  277   1HB   LEU  17           HB2      LEU  17  -2.708   8.471   3.015
  278   2HB   LEU  17           HB1      LEU  17  -2.430   7.616   1.524
  279    HG   LEU  17           HG       LEU  17  -3.365  10.526   1.565
  280   1HD1  LEU  17          HD12      LEU  17  -1.152  10.222   2.712
  281   2HD1  LEU  17          HD11      LEU  17  -0.557   9.339   1.318
  282   3HD1  LEU  17          HD13      LEU  17  -0.958  11.041   1.174
  283   1HD2  LEU  17          HD22      LEU  17  -1.950   8.823  -0.562
  284   2HD2  LEU  17          HD21      LEU  17  -3.630   9.302  -0.650
  285   3HD2  LEU  17          HD23      LEU  17  -2.388  10.512  -0.730
  286    H    VAL  18           HN       VAL  18  -3.728   6.265   0.290
  287    HA   VAL  18           HA       VAL  18  -4.780   7.267  -2.212
  288    HB   VAL  18           HB       VAL  18  -4.534   4.920  -3.054
  289   1HG1  VAL  18          HG11      VAL  18  -2.221   5.951  -1.301
  290   2HG1  VAL  18          HG13      VAL  18  -2.050   4.823  -2.643
  291   3HG1  VAL  18          HG12      VAL  18  -2.563   6.460  -2.950
  292   1HG2  VAL  18          HG22      VAL  18  -3.712   4.380  -0.241
  293   2HG2  VAL  18          HG21      VAL  18  -5.139   3.714  -1.022
  294   3HG2  VAL  18          HG23      VAL  18  -3.547   3.232  -1.570
  295    H    CYS  19           HN       CYS  19  -6.252   4.885   0.052
  296    HA   CYS  19           HA       CYS  19  -8.659   4.559  -1.403
  297   1HB   CYS  19           HB2      CYS  19  -8.009   4.378   1.552
  298   2HB   CYS  19           HB1      CYS  19  -9.640   4.180   1.036
  299    HG   CYS  19           HG1      CYS  19  -9.251   1.855   0.416
  300    H    GLY  20           HN       GLY  20  -7.554   7.354  -0.067
  301   1HA   GLY  20           HA2      GLY  20  -8.578   9.443   0.485
  302   2HA   GLY  20           HA1      GLY  20  -9.928   8.899  -0.540
  303    H    GLU  21           HN       GLU  21  -8.606   7.211   2.063
  304    HA   GLU  21           HA       GLU  21  -9.120   6.720   4.262
  305   1HB   GLU  21           HB2      GLU  21 -11.618   8.209   3.807
  306   2HB   GLU  21           HB1      GLU  21 -11.095   7.647   5.356
  307   1HG   GLU  21           HG2      GLU  21  -9.260   9.371   5.343
  308   2HG   GLU  21           HG1      GLU  21  -9.675   9.822   3.703
  309    NH1  ARG  22           NH2      ARG  22 -13.760   8.760   4.676
  310    NH2  ARG  22           NH1      ARG  22 -13.060   9.892   2.965
  311    H    ARG  22           HN       ARG  22 -10.798   5.656   1.656
  312    HA   ARG  22           HA       ARG  22 -12.520   3.923   3.188
  313   1HB   ARG  22           HB2      ARG  22 -12.658   5.013   0.384
  314   2HB   ARG  22           HB1      ARG  22 -13.809   3.811   0.906
  315   1HG   ARG  22           HG2      ARG  22 -15.052   5.738   1.496
  316   2HG   ARG  22           HG1      ARG  22 -14.197   5.491   3.005
  317   1HD   ARG  22           HD2      ARG  22 -12.421   7.085   2.214
  318   2HD   ARG  22           HD1      ARG  22 -13.347   7.409   0.787
  319    HE   ARG  22           HE       ARG  22 -15.223   8.195   2.540
  320   1HH1  ARG  22          HH22      ARG  22 -14.270   8.007   5.051
  321   2HH1  ARG  22          HH21      ARG  22 -13.266   9.404   5.271
  322   1HH2  ARG  22          HH12      ARG  22 -12.976   9.964   1.985
  323   2HH2  ARG  22          HH11      ARG  22 -12.628  10.566   3.559
  324    H    GLY  23           HN       GLY  23 -12.780   2.544   0.311
  325   1HA   GLY  23           HA2      GLY  23 -12.549   0.059   0.297
  326   2HA   GLY  23           HA1      GLY  23 -11.530   0.833  -0.855
  327    H    PHE  24           HN       PHE  24 -11.253  -0.397   2.477
  328    HA   PHE  24           HA       PHE  24  -8.403  -0.915   2.219
  329   1HB   PHE  24           HB2      PHE  24 -10.583  -1.696   4.173
  330   2HB   PHE  24           HB1      PHE  24  -9.041  -2.491   4.291
  331    HD1  PHE  24           HD2      PHE  24 -10.767   0.741   4.652
  332    HD2  PHE  24           HD1      PHE  24  -7.059  -1.304   5.064
  333    HE1  PHE  24           HE2      PHE  24  -9.900   2.596   5.983
  334    HE2  PHE  24           HE1      PHE  24  -6.194   0.543   6.399
  335    HZ   PHE  24           HZ       PHE  24  -7.597   2.504   6.868
  336    H    PHE  25           HN       PHE  25  -8.794  -2.038  -0.040
  337    HA   PHE  25           HA       PHE  25  -9.494  -4.918   0.156
  338   1HB   PHE  25           HB2      PHE  25 -10.387  -3.366  -1.638
  339   2HB   PHE  25           HB1      PHE  25  -8.765  -3.207  -2.257
  340    HD1  PHE  25           HD1      PHE  25 -11.220  -5.867  -1.334
  341    HD2  PHE  25           HD2      PHE  25  -8.060  -4.678  -3.898
  342    HE1  PHE  25           HE1      PHE  25 -11.525  -7.921  -2.640
  343    HE2  PHE  25           HE2      PHE  25  -8.351  -6.724  -5.225
  344    HZ   PHE  25           HZ       PHE  25 -10.088  -8.362  -4.595
  345    OH   TYR  26           OH       TYR  26  -5.927  -2.780   6.700
  346    H    TYR  26           HN       TYR  26  -7.428  -4.762   1.558
  347    HA   TYR  26           HA       TYR  26  -4.833  -4.806   1.185
  348   1HB   TYR  26           HB2      TYR  26  -6.478  -7.072   2.340
  349   2HB   TYR  26           HB1      TYR  26  -4.733  -7.034   2.501
  350    HD1  TYR  26           HD2      TYR  26  -3.631  -5.267   3.731
  351    HD2  TYR  26           HD1      TYR  26  -7.875  -5.423   3.573
  352    HE1  TYR  26           HE2      TYR  26  -3.775  -3.673   5.629
  353    HE2  TYR  26           HE1      TYR  26  -7.984  -3.841   5.463
  354    HH   TYR  26           HH       TYR  26  -6.785  -2.877   7.120
  355    H    THR  27           HN       THR  27  -6.410  -6.923  -1.027
  356    HA   THR  27           HA       THR  27  -5.156  -8.979  -1.898
  357    HB   THR  27           HB       THR  27  -6.667  -7.713  -3.334
  358    HG1  THR  27           HG1      THR  27  -4.731  -7.919  -5.127
  359   1HG2  THR  27          HG22      THR  27  -5.466  -5.465  -3.287
  360   2HG2  THR  27          HG21      THR  27  -4.201  -6.137  -4.287
  361   3HG2  THR  27          HG23      THR  27  -5.838  -6.037  -4.892
  362    HA   PRO  28           HA       PRO  28  -1.996  -6.412  -4.805
  363   1HB   PRO  28           HB2      PRO  28  -0.301  -8.415  -3.270
  364   2HB   PRO  28           HB1      PRO  28   0.206  -7.345  -4.567
  365   1HG   PRO  28           HG2      PRO  28   0.485  -6.478  -2.080
  366   2HG   PRO  28           HG1      PRO  28  -0.253  -5.362  -3.210
  367   1HD   PRO  28           HD1      PRO  28  -1.563  -6.994  -1.036
  368   2HD   PRO  28           HD2      PRO  28  -2.051  -5.414  -1.659
  369    H    LYS  29           HN       LYS  29  -1.789  -9.546  -3.746
  370    HA   LYS  29           HA       LYS  29  -1.776 -11.454  -5.429
  371   1HB   LYS  29           HB2      LYS  29  -3.839 -10.951  -3.389
  372   2HB   LYS  29           HB1      LYS  29  -4.413 -12.094  -4.564
  373   1HG   LYS  29           HG2      LYS  29  -3.274 -13.475  -2.903
  374   2HG   LYS  29           HG1      LYS  29  -2.192 -13.407  -4.270
  375   1HD   LYS  29           HD2      LYS  29  -0.748 -12.904  -2.404
  376   2HD   LYS  29           HD1      LYS  29  -1.057 -11.360  -3.133
  377   1HE   LYS  29           HE2      LYS  29  -3.095 -11.283  -1.409
  378   2HE   LYS  29           HE1      LYS  29  -2.154 -12.514  -0.573
  379   1HZ   LYS  29           HZ1      LYS  29  -0.404 -10.562  -1.491
  380   2HZ   LYS  29           HZ3      LYS  29  -1.601  -9.721  -0.739
  381   3HZ   LYS  29           HZ2      LYS  29  -0.605 -10.902   0.050
  382    H    THR  30           HN       THR  30  -4.594  -9.721  -5.828
  383    HA   THR  30           HA       THR  30  -6.371 -10.252  -7.582
  384    HB   THR  30           HB       THR  30  -5.357  -7.903  -7.612
  385    HG1  THR  30           HG1      THR  30  -6.151  -9.216 -10.028
  386   1HG2  THR  30          HG22      THR  30  -3.110  -8.611  -8.662
  387   2HG2  THR  30          HG21      THR  30  -3.996  -9.019 -10.128
  388   3HG2  THR  30          HG23      THR  30  -3.976  -7.367  -9.551
   
  Start of MODEL          20
 Raw file had  388 H/Q atoms
  Start of MODEL   20
    1    H    GLY   1           HN       GLY   1  -2.652  -3.854   4.400
    2   1HA   GLY   1           HA2      GLY   1  -0.691  -5.573   5.098
    3   2HA   GLY   1           HA1      GLY   1  -1.832  -6.159   3.894
    4    H    ILE   2           HN       ILE   2  -1.053  -4.619   1.874
    5    HA   ILE   2           HA       ILE   2   0.360  -5.541  -0.102
    6    HB   ILE   2           HB       ILE   2   1.690  -3.060   0.801
    7   1HG1  ILE   2          HG12      ILE   2  -0.521  -1.822   0.029
    8   2HG1  ILE   2          HG11      ILE   2  -1.311  -3.235   0.675
    9   1HG2  ILE   2          HG21      ILE   2   0.125  -3.967  -1.670
   10   2HG2  ILE   2          HG23      ILE   2   0.948  -2.422  -1.555
   11   3HG2  ILE   2          HG22      ILE   2   1.862  -3.912  -1.538
   12   1HD1  ILE   2           HD2      ILE   2   0.072  -2.867   2.873
   13   2HD1  ILE   2           HD1      ILE   2   0.741  -1.464   2.082
   14   3HD1  ILE   2           HD3      ILE   2  -0.906  -1.486   2.533
   15    H    VAL   3           HN       VAL   3   1.311  -7.164   1.633
   16    HA   VAL   3           HA       VAL   3   3.862  -7.256   2.455
   17    HB   VAL   3           HB       VAL   3   3.554  -9.811   2.033
   18   1HG1  VAL   3          HG12      VAL   3   2.400  -8.710   3.954
   19   2HG1  VAL   3          HG11      VAL   3   1.005  -8.381   2.954
   20   3HG1  VAL   3          HG13      VAL   3   1.454 -10.034   3.294
   21   1HG2  VAL   3          HG21      VAL   3   2.399  -9.532  -0.263
   22   2HG2  VAL   3          HG23      VAL   3   1.443 -10.488   0.844
   23   3HG2  VAL   3          HG22      VAL   3   1.025  -8.815   0.539
   24    H    GLU   4           HN       GLU   4   4.206  -9.611   0.147
   25    HA   GLU   4           HA       GLU   4   6.719  -8.511  -0.653
   26   1HB   GLU   4           HB2      GLU   4   5.067 -10.955  -1.501
   27   2HB   GLU   4           HB1      GLU   4   6.645 -10.666  -2.196
   28   1HG   GLU   4           HG2      GLU   4   6.629 -12.265  -0.148
   29   2HG   GLU   4           HG1      GLU   4   7.737 -10.934   0.033
   30    H    GLN   5           HN       GLN   5   6.041  -6.749  -1.260
   31    HA   GLN   5           HA       GLN   5   6.413  -5.806  -3.796
   32   1HB   GLN   5           HB2      GLN   5   3.912  -5.140  -4.399
   33   2HB   GLN   5           HB1      GLN   5   4.193  -6.864  -4.491
   34   1HG   GLN   5           HG2      GLN   5   3.140  -7.262  -2.295
   35   2HG   GLN   5           HG1      GLN   5   3.078  -5.567  -1.912
   36   1HE2  GLN   5          HE21      GLN   5   0.484  -5.959  -4.829
   37   2HE2  GLN   5          HE22      GLN   5   2.147  -5.956  -5.117
   38    H    CYS   6           HN       CYS   6   4.377  -4.832  -0.838
   39    HA   CYS   6           HA       CYS   6   5.817  -2.207  -1.459
   40   1HB   CYS   6           HB2      CYS   6   3.346  -2.908  -0.046
   41   2HB   CYS   6           HB1      CYS   6   4.107  -1.332   0.129
   42    HG   CYS   6           HG1      CYS   6   3.514  -0.744  -2.231
   43    H    CYS   7           HN       CYS   7   5.644  -4.824   0.714
   44    HA   CYS   7           HA       CYS   7   7.251  -3.380   2.772
   45   1HB   CYS   7           HB2      CYS   7   5.268  -4.416   3.534
   46   2HB   CYS   7           HB1      CYS   7   5.436  -5.792   2.519
   47    HG   CYS   7           HG1      CYS   7   7.094  -6.835   4.170
   48    H    THR   8           HN       THR   8   7.076  -6.219   0.777
   49    HA   THR   8           HA       THR   8  10.088  -6.382   0.693
   50    HB   THR   8           HB       THR   8   8.381  -8.926   0.320
   51    HG1  THR   8           HG1      THR   8   7.942  -8.752   2.295
   52   1HG2  THR   8          HG21      THR   8  10.990  -8.296   1.720
   53   2HG2  THR   8          HG23      THR   8  10.320  -9.875   1.338
   54   3HG2  THR   8          HG22      THR   8  10.947  -8.855   0.042
   55    H    SER   9           HN       SER   9  10.093  -5.073  -1.130
   56    HA   SER   9           HA       SER   9  10.798  -5.202  -3.524
   57   1HB   SER   9           HB2      SER   9   9.848  -7.533  -3.755
   58   2HB   SER   9           HB1      SER   9   8.275  -6.785  -4.097
   59    HG   SER   9           HG1      SER   9   9.186  -5.663  -5.799
   60    H    ILE  10           HN       ILE  10   9.453  -3.456  -2.184
   61    HA   ILE  10           HA       ILE  10   7.552  -1.793  -2.281
   62    HB   ILE  10           HB       ILE  10   9.834  -1.151  -1.814
   63   1HG1  ILE  10          HG12      ILE  10   8.095   0.538  -1.567
   64   2HG1  ILE  10          HG11      ILE  10   9.620   1.221  -2.007
   65   1HG2  ILE  10          HG22      ILE  10  11.045  -1.565  -3.869
   66   2HG2  ILE  10          HG21      ILE  10  10.122  -0.325  -4.695
   67   3HG2  ILE  10          HG23      ILE  10  11.211   0.112  -3.391
   68   1HD1  ILE  10           HD2      ILE  10   8.877   1.472  -4.384
   69   2HD1  ILE  10           HD1      ILE  10   7.290   0.863  -3.958
   70   3HD1  ILE  10           HD3      ILE  10   7.858   2.365  -3.283
   71    H    CYS  11           HN       CYS  11   5.956  -1.784  -3.283
   72    HA   CYS  11           HA       CYS  11   5.519  -1.434  -6.155
   73   1HB   CYS  11           HB2      CYS  11   3.633  -2.785  -5.716
   74   2HB   CYS  11           HB1      CYS  11   4.450  -3.061  -4.209
   75    HG   CYS  11           HG1      CYS  11   2.173  -1.013  -4.297
   76    H    SER  12           HN       SER  12   5.520   0.478  -6.687
   77    HA   SER  12           HA       SER  12   5.275   2.971  -5.442
   78   1HB   SER  12           HB2      SER  12   5.862   2.474  -7.903
   79   2HB   SER  12           HB1      SER  12   4.109   2.538  -8.151
   80    HG   SER  12           HG1      SER  12   5.347   4.605  -8.296
   81    H    LEU  13           HN       LEU  13   3.809   4.760  -6.038
   82    HA   LEU  13           HA       LEU  13   1.486   4.574  -4.306
   83   1HB   LEU  13           HB2      LEU  13   2.561   6.761  -4.865
   84   2HB   LEU  13           HB1      LEU  13   2.276   6.520  -6.573
   85    HG   LEU  13           HG       LEU  13  -0.219   6.671  -6.144
   86   1HD1  LEU  13          HD11      LEU  13   0.711   7.381  -3.326
   87   2HD1  LEU  13          HD13      LEU  13  -0.938   7.480  -3.926
   88   3HD1  LEU  13          HD12      LEU  13  -0.162   5.919  -3.761
   89   1HD2  LEU  13          HD22      LEU  13   1.452   8.967  -5.040
   90   2HD2  LEU  13          HD21      LEU  13   1.128   8.680  -6.741
   91   3HD2  LEU  13          HD23      LEU  13  -0.185   9.094  -5.657
   92    OH   TYR  14           OH       TYR  14   5.718   4.937 -10.194
   93    H    TYR  14           HN       TYR  14   1.699   4.517  -7.752
   94    HA   TYR  14           HA       TYR  14  -1.145   3.971  -8.148
   95   1HB   TYR  14           HB2      TYR  14   0.029   2.744 -10.345
   96   2HB   TYR  14           HB1      TYR  14  -0.368   4.445 -10.302
   97    HD1  TYR  14           HD2      TYR  14   1.421   6.079  -9.503
   98    HD2  TYR  14           HD1      TYR  14   2.270   2.048 -10.476
   99    HE1  TYR  14           HE2      TYR  14   3.825   6.610  -9.651
  100    HE2  TYR  14           HE1      TYR  14   4.665   2.581 -10.631
  101    HH   TYR  14           HH       TYR  14   5.925   5.100 -11.120
  102    H    GLN  15           HN       GLN  15   1.457   2.016  -6.898
  103    HA   GLN  15           HA       GLN  15  -0.255  -0.341  -7.507
  104   1HB   GLN  15           HB2      GLN  15   2.532   0.003  -6.287
  105   2HB   GLN  15           HB1      GLN  15   1.637  -1.481  -6.003
  106   1HG   GLN  15           HG2      GLN  15   3.089  -1.987  -7.839
  107   2HG   GLN  15           HG1      GLN  15   1.465  -1.882  -8.468
  108   1HE2  GLN  15          HE21      GLN  15   2.558   0.297 -10.905
  109   2HE2  GLN  15          HE22      GLN  15   1.450  -0.908 -10.430
  110    H    LEU  16           HN       LEU  16   0.960   1.249  -4.808
  111    HA   LEU  16           HA       LEU  16  -0.274   0.041  -2.675
  112   1HB   LEU  16           HB2      LEU  16   0.375   2.876  -3.246
  113   2HB   LEU  16           HB1      LEU  16  -0.893   2.707  -2.055
  114    HG   LEU  16           HG       LEU  16   1.311   2.851  -0.965
  115   1HD1  LEU  16          HD12      LEU  16  -0.411   1.383   0.165
  116   2HD1  LEU  16          HD11      LEU  16   0.196   0.002  -0.728
  117   3HD1  LEU  16          HD13      LEU  16   1.217   0.800   0.434
  118   1HD2  LEU  16          HD22      LEU  16   1.895   0.342  -2.548
  119   2HD2  LEU  16          HD21      LEU  16   2.669   1.891  -2.748
  120   3HD2  LEU  16          HD23      LEU  16   2.918   0.963  -1.280
  121    H    GLU  17           HN       GLU  17  -1.863   2.294  -4.805
  122    HA   GLU  17           HA       GLU  17  -4.506   2.300  -3.649
  123   1HB   GLU  17           HB2      GLU  17  -5.319   3.139  -5.733
  124   2HB   GLU  17           HB1      GLU  17  -3.658   3.679  -5.700
  125   1HG   GLU  17           HG2      GLU  17  -3.974   2.827  -7.943
  126   2HG   GLU  17           HG1      GLU  17  -3.129   1.548  -7.143
  127    H    ASN  18           HN       ASN  18  -3.340   0.133  -6.121
  128    HA   ASN  18           HA       ASN  18  -5.418  -1.577  -6.593
  129   1HB   ASN  18           HB2      ASN  18  -3.321  -1.599  -7.832
  130   2HB   ASN  18           HB1      ASN  18  -2.367  -2.036  -6.456
  131   1HD2  ASN  18          HD21      ASN  18  -4.492  -5.224  -7.490
  132   2HD2  ASN  18          HD22      ASN  18  -5.323  -3.811  -6.992
  133    OH   TYR  19           OH       TYR  19  -0.030  -4.464  -6.246
  134    H    TYR  19           HN       TYR  19  -3.780  -1.344  -3.697
  135    HA   TYR  19           HA       TYR  19  -5.090  -3.778  -2.494
  136   1HB   TYR  19           HB2      TYR  19  -2.689  -2.237  -1.229
  137   2HB   TYR  19           HB1      TYR  19  -3.089  -3.936  -1.014
  138    HD1  TYR  19           HD2      TYR  19  -3.367  -5.246  -3.339
  139    HD2  TYR  19           HD1      TYR  19  -0.983  -1.816  -2.714
  140    HE1  TYR  19           HE2      TYR  19  -2.018  -5.803  -5.336
  141    HE2  TYR  19           HE1      TYR  19   0.348  -2.392  -4.694
  142    HH   TYR  19           HH       TYR  19  -0.725  -4.481  -6.924
  143    H    CYS  20           HN       CYS  20  -4.525  -0.360  -2.232
  144    HA   CYS  20           HA       CYS  20  -6.787  -0.065  -0.289
  145   1HB   CYS  20           HB2      CYS  20  -4.916   0.605   0.745
  146   2HB   CYS  20           HB1      CYS  20  -4.281   1.504  -0.627
  147    HG   CYS  20           HG1      CYS  20  -6.238   2.499   1.516
  148    H    ASN  21           HN       ASN  21  -8.241   0.005  -2.138
  149    HA   ASN  21           HA       ASN  21  -8.555   2.779  -3.231
  150   1HB   ASN  21           HB2      ASN  21  -9.561   1.380  -5.302
  151   2HB   ASN  21           HB1      ASN  21  -7.827   1.566  -5.147
  152   1HD2  ASN  21          HD21      ASN  21  -7.528  -1.839  -5.435
  153   2HD2  ASN  21          HD22      ASN  21  -7.117  -0.276  -5.996
  154    H    PHE   1           HN       PHE   1   2.223   7.291  -0.955
  155    HA   PHE   1           HA       PHE   1   4.680   8.257  -2.329
  156   1HB   PHE   1           HB2      PHE   1   3.285   9.776  -0.805
  157   2HB   PHE   1           HB1      PHE   1   3.767   8.757   0.544
  158    HD1  PHE   1           HD1      PHE   1   5.173  10.825  -2.224
  159    HD2  PHE   1           HD2      PHE   1   5.844   9.117   1.605
  160    HE1  PHE   1           HE1      PHE   1   7.282  12.070  -2.045
  161    HE2  PHE   1           HE2      PHE   1   7.951  10.362   1.797
  162    HZ   PHE   1           HZ       PHE   1   8.678  11.842  -0.032
  163    H    VAL   2           HN       VAL   2   5.459   5.902  -2.528
  164    HA   VAL   2           HA       VAL   2   6.787   5.001  -0.171
  165    HB   VAL   2           HB       VAL   2   6.717   2.709  -1.414
  166   1HG1  VAL   2          HG12      VAL   2   5.136   3.341   0.433
  167   2HG1  VAL   2          HG11      VAL   2   4.060   4.061  -0.748
  168   3HG1  VAL   2          HG13      VAL   2   4.374   2.336  -0.783
  169   1HG2  VAL   2          HG21      VAL   2   6.185   3.740  -3.691
  170   2HG2  VAL   2          HG23      VAL   2   5.020   2.531  -3.172
  171   3HG2  VAL   2          HG22      VAL   2   4.615   4.226  -3.065
  172    H    ASN   3           HN       ASN   3   8.506   3.495  -1.102
  173    HA   ASN   3           HA       ASN   3  10.141   3.998  -3.352
  174   1HB   ASN   3           HB2      ASN   3  11.958   5.523  -1.943
  175   2HB   ASN   3           HB1      ASN   3  10.612   6.277  -2.793
  176   1HD2  ASN   3          HD21      ASN   3   9.548   7.595   0.252
  177   2HD2  ASN   3          HD22      ASN   3   9.831   7.872  -1.403
  178    H    GLN   4           HN       GLN   4  10.411   3.261  -0.108
  179    HA   GLN   4           HA       GLN   4  12.557   1.245  -0.610
  180   1HB   GLN   4           HB2      GLN   4  13.164   1.667   1.832
  181   2HB   GLN   4           HB1      GLN   4  13.372   3.008   0.739
  182   1HG   GLN   4           HG2      GLN   4  12.152   3.405   3.124
  183   2HG   GLN   4           HG1      GLN   4  11.640   4.317   1.739
  184   1HE2  GLN   4          HE21      GLN   4   8.434   2.932   1.908
  185   2HE2  GLN   4          HE22      GLN   4   9.479   4.105   1.209
  186    H    HIS   5           HN       HIS   5  12.110   0.256   2.122
  187    HA   HIS   5           HA       HIS   5   9.710  -1.502   1.600
  188   1HB   HIS   5           HB2      HIS   5  12.454  -2.148   2.659
  189   2HB   HIS   5           HB1      HIS   5  11.089  -3.211   2.950
  190    HD1  HIS   5           HD1      HIS   5  10.940  -1.496  -0.222
  191    HD2  HIS   5           HD2      HIS   5  12.416  -5.025   1.138
  192    HE1  HIS   5           HE1      HIS   5  11.402  -2.900  -2.258
  193    H    LEU   6           HN       LEU   6   8.245  -0.509   2.674
  194    HA   LEU   6           HA       LEU   6   8.429  -0.214   5.649
  195   1HB   LEU   6           HB2      LEU   6   6.770   1.561   5.428
  196   2HB   LEU   6           HB1      LEU   6   7.950   1.805   4.167
  197    HG   LEU   6           HG       LEU   6   5.169   0.654   3.765
  198   1HD1  LEU   6          HD12      LEU   6   5.253   3.118   4.238
  199   2HD1  LEU   6          HD11      LEU   6   6.429   3.327   2.966
  200   3HD1  LEU   6          HD13      LEU   6   4.798   2.816   2.581
  201   1HD2  LEU   6          HD22      LEU   6   7.342   1.341   1.736
  202   2HD2  LEU   6          HD21      LEU   6   6.683  -0.241   2.122
  203   3HD2  LEU   6          HD23      LEU   6   5.676   0.935   1.348
  204    H    CYS   7           HN       CYS   7   7.286  -1.661   6.834
  205    HA   CYS   7           HA       CYS   7   5.358  -3.460   5.373
  206   1HB   CYS   7           HB2      CYS   7   7.568  -4.281   6.422
  207   2HB   CYS   7           HB1      CYS   7   6.717  -4.188   7.947
  208    HG   CYS   7           HG1      CYS   7   5.372  -6.217   7.341
  209    H    GLY   8           HN       GLY   8   5.466  -1.861   8.555
  210   1HA   GLY   8           HA2      GLY   8   2.540  -2.595   8.827
  211   2HA   GLY   8           HA1      GLY   8   3.620  -2.275  10.197
  212    H    ASP   9           HN       ASP   9   3.474  -0.487  11.049
  213    HA   ASP   9           HA       ASP   9   1.693   1.459  10.757
  214   1HB   ASP   9           HB2      ASP   9   3.934   2.802  11.787
  215   2HB   ASP   9           HB1      ASP   9   3.245   1.457  12.684
  216    H    HIS  10           HN       HIS  10   4.803   1.962   9.261
  217    HA   HIS  10           HA       HIS  10   3.977   4.364   7.847
  218   1HB   HIS  10           HB2      HIS  10   6.286   3.707   8.483
  219   2HB   HIS  10           HB1      HIS  10   6.285   2.456   7.250
  220    HD1  HIS  10           HD1      HIS  10   5.179   6.028   7.084
  221    HD2  HIS  10           HD2      HIS  10   7.851   3.584   5.205
  222    HE1  HIS  10           HE1      HIS  10   6.210   7.362   5.247
  223    H    LEU  11           HN       LEU  11   3.725   1.036   7.063
  224    HA   LEU  11           HA       LEU  11   3.079   1.412   4.220
  225   1HB   LEU  11           HB2      LEU  11   4.023  -0.759   5.253
  226   2HB   LEU  11           HB1      LEU  11   2.492  -0.984   6.074
  227    HG   LEU  11           HG       LEU  11   1.332  -0.984   3.912
  228   1HD1  LEU  11          HD11      LEU  11   4.197  -1.043   2.791
  229   2HD1  LEU  11          HD13      LEU  11   2.762  -1.285   1.835
  230   3HD1  LEU  11          HD12      LEU  11   3.073   0.282   2.536
  231   1HD2  LEU  11          HD22      LEU  11   3.621  -2.957   4.194
  232   2HD2  LEU  11          HD21      LEU  11   2.054  -3.099   4.963
  233   3HD2  LEU  11          HD23      LEU  11   2.195  -3.243   3.225
  234    H    VAL  12           HN       VAL  12   1.245   0.932   7.185
  235    HA   VAL  12           HA       VAL  12  -1.353   1.180   5.829
  236    HB   VAL  12           HB       VAL  12  -1.183   0.180   8.096
  237   1HG1  VAL  12          HG11      VAL  12  -0.505   2.983   9.034
  238   2HG1  VAL  12          HG13      VAL  12  -0.966   1.661  10.085
  239   3HG1  VAL  12          HG12      VAL  12   0.457   1.512   9.092
  240   1HG2  VAL  12          HG21      VAL  12  -3.343   1.263   7.297
  241   2HG2  VAL  12          HG23      VAL  12  -3.193   1.475   9.037
  242   3HG2  VAL  12          HG22      VAL  12  -2.819   2.798   7.952
  243    H    GLU  13           HN       GLU  13   0.816   3.491   7.459
  244    HA   GLU  13           HA       GLU  13  -0.639   5.848   7.359
  245   1HB   GLU  13           HB2      GLU  13   2.289   5.292   6.793
  246   2HB   GLU  13           HB1      GLU  13   1.678   6.914   6.634
  247   1HG   GLU  13           HG2      GLU  13   0.889   6.859   9.032
  248   2HG   GLU  13           HG1      GLU  13   1.542   5.245   9.195
  249    H    ALA  14           HN       ALA  14   0.815   4.032   4.854
  250    HA   ALA  14           HA       ALA  14   0.178   5.957   2.787
  251   1HB   ALA  14           HB2      ALA  14   2.195   4.403   2.643
  252   2HB   ALA  14           HB1      ALA  14   1.138   3.013   2.617
  253   3HB   ALA  14           HB3      ALA  14   1.158   4.107   1.254
  254    H    LEU  15           HN       LEU  15  -1.039   2.687   3.504
  255    HA   LEU  15           HA       LEU  15  -3.217   2.681   1.674
  256   1HB   LEU  15           HB2      LEU  15  -3.517   1.670   4.521
  257   2HB   LEU  15           HB1      LEU  15  -4.494   1.249   3.149
  258    HG   LEU  15           HG       LEU  15  -1.516   0.568   3.022
  259   1HD1  LEU  15          HD12      LEU  15  -2.542  -0.380   5.177
  260   2HD1  LEU  15          HD11      LEU  15  -3.796  -1.122   4.202
  261   3HD1  LEU  15          HD13      LEU  15  -2.144  -1.640   4.053
  262   1HD2  LEU  15          HD22      LEU  15  -4.088  -0.685   1.962
  263   2HD2  LEU  15          HD21      LEU  15  -2.994   0.349   1.017
  264   3HD2  LEU  15          HD23      LEU  15  -2.501  -1.228   1.541
  265    OH   TYR  16           OH       TYR  16  -2.139   9.231   9.001
  266    H    TYR  16           HN       TYR  16  -3.441   4.051   4.996
  267    HA   TYR  16           HA       TYR  16  -6.200   4.962   4.423
  268   1HB   TYR  16           HB2      TYR  16  -6.315   5.435   6.683
  269   2HB   TYR  16           HB1      TYR  16  -4.967   4.323   6.730
  270    HD1  TYR  16           HD1      TYR  16  -2.726   6.073   5.820
  271    HD2  TYR  16           HD2      TYR  16  -5.953   6.882   8.454
  272    HE1  TYR  16           HE1      TYR  16  -1.378   7.796   6.970
  273    HE2  TYR  16           HE2      TYR  16  -4.573   8.596   9.591
  274    HH   TYR  16           HH       TYR  16  -1.239   8.885   9.002
  275    H    LEU  17           HN       LEU  17  -3.796   6.014   2.944
  276    HA   LEU  17           HA       LEU  17  -4.553   8.911   2.895
  277   1HB   LEU  17           HB2      LEU  17  -2.323   8.372   3.921
  278   2HB   LEU  17           HB1      LEU  17  -1.811   7.595   2.454
  279    HG   LEU  17           HG       LEU  17  -2.603  10.549   2.598
  280   1HD1  LEU  17          HD11      LEU  17   0.136   9.187   2.683
  281   2HD1  LEU  17          HD13      LEU  17  -0.129  10.924   2.628
  282   3HD1  LEU  17          HD12      LEU  17  -0.635   9.999   4.030
  283   1HD2  LEU  17          HD22      LEU  17  -0.980   8.946   0.544
  284   2HD2  LEU  17          HD21      LEU  17  -2.601   9.554   0.268
  285   3HD2  LEU  17          HD23      LEU  17  -1.286  10.671   0.478
  286    H    VAL  18           HN       VAL  18  -3.101   6.352   1.004
  287    HA   VAL  18           HA       VAL  18  -3.373   7.374  -1.608
  288    HB   VAL  18           HB       VAL  18  -3.393   4.497  -0.583
  289   1HG1  VAL  18          HG11      VAL  18  -2.864   5.543  -3.430
  290   2HG1  VAL  18          HG13      VAL  18  -2.667   3.880  -2.917
  291   3HG1  VAL  18          HG12      VAL  18  -4.257   4.593  -2.968
  292   1HG2  VAL  18          HG22      VAL  18  -1.217   6.287  -1.757
  293   2HG2  VAL  18          HG21      VAL  18  -1.373   5.878  -0.062
  294   3HG2  VAL  18          HG23      VAL  18  -0.982   4.632  -1.225
  295    H    CYS  19           HN       CYS  19  -5.584   4.795  -0.617
  296    HA   CYS  19           HA       CYS  19  -7.387   4.613  -2.582
  297   1HB   CYS  19           HB2      CYS  19  -9.096   4.668  -0.343
  298   2HB   CYS  19           HB1      CYS  19  -8.114   3.347  -0.831
  299    HG   CYS  19           HG1      CYS  19  -7.587   5.123   1.599
  300    H    GLY  20           HN       GLY  20  -8.109   7.155  -0.250
  301   1HA   GLY  20           HA2      GLY  20  -8.804   9.444  -0.921
  302   2HA   GLY  20           HA1      GLY  20  -9.227   8.798  -2.507
  303    H    GLU  21           HN       GLU  21 -10.730   6.789  -1.879
  304    HA   GLU  21           HA       GLU  21 -13.217   8.080  -0.856
  305   1HB   GLU  21           HB2      GLU  21 -14.120   5.949  -2.264
  306   2HB   GLU  21           HB1      GLU  21 -13.684   7.444  -3.061
  307   1HG   GLU  21           HG2      GLU  21 -12.678   5.544  -4.314
  308   2HG   GLU  21           HG1      GLU  21 -11.359   6.415  -3.604
  309    NH1  ARG  22           NH1      ARG  22 -12.155  -1.443   2.480
  310    NH2  ARG  22           NH2      ARG  22 -12.356  -2.603   0.645
  311    H    ARG  22           HN       ARG  22 -11.589   5.076  -0.786
  312    HA   ARG  22           HA       ARG  22 -12.915   4.293   1.661
  313   1HB   ARG  22           HB2      ARG  22 -13.728   3.279  -0.248
  314   2HB   ARG  22           HB1      ARG  22 -12.156   2.673  -0.626
  315   1HG   ARG  22           HG2      ARG  22 -12.599   1.700   2.001
  316   2HG   ARG  22           HG1      ARG  22 -14.192   1.641   1.257
  317   1HD   ARG  22           HD2      ARG  22 -12.984   0.660  -0.820
  318   2HD   ARG  22           HD1      ARG  22 -11.605   0.461   0.243
  319    HE   ARG  22           HE       ARG  22 -14.291  -0.811   0.883
  320   1HH1  ARG  22          HH12      ARG  22 -12.383  -0.595   2.939
  321   2HH1  ARG  22          HH11      ARG  22 -11.586  -2.142   2.893
  322   1HH2  ARG  22          HH22      ARG  22 -12.750  -2.640  -0.272
  323   2HH2  ARG  22          HH21      ARG  22 -11.781  -3.309   1.028
  324    H    GLY  23           HN       GLY  23 -10.675   2.383   0.204
  325   1HA   GLY  23           HA2      GLY  23  -8.286   1.985   0.672
  326   2HA   GLY  23           HA1      GLY  23  -8.553   2.569   2.319
  327    H    PHE  24           HN       PHE  24  -7.329   0.237   1.656
  328    HA   PHE  24           HA       PHE  24  -7.216  -2.031   2.324
  329   1HB   PHE  24           HB2      PHE  24  -9.644  -1.319   4.033
  330   2HB   PHE  24           HB1      PHE  24  -8.439  -2.549   4.365
  331    HD1  PHE  24           HD1      PHE  24  -6.039  -1.808   4.700
  332    HD2  PHE  24           HD2      PHE  24  -9.276   0.911   4.607
  333    HE1  PHE  24           HE1      PHE  24  -4.648  -0.118   5.853
  334    HE2  PHE  24           HE2      PHE  24  -7.902   2.619   5.742
  335    HZ   PHE  24           HZ       PHE  24  -5.578   2.099   6.359
  336    H    PHE  25           HN       PHE  25  -7.918  -2.470   0.077
  337    HA   PHE  25           HA       PHE  25 -10.387  -4.148  -0.039
  338   1HB   PHE  25           HB2      PHE  25  -9.380  -2.066  -1.840
  339   2HB   PHE  25           HB1      PHE  25  -9.432  -3.572  -2.726
  340    HD1  PHE  25           HD1      PHE  25 -11.702  -5.012  -1.735
  341    HD2  PHE  25           HD2      PHE  25 -11.273  -0.828  -2.295
  342    HE1  PHE  25           HE1      PHE  25 -14.147  -4.793  -1.925
  343    HE2  PHE  25           HE2      PHE  25 -13.707  -0.594  -2.492
  344    HZ   PHE  25           HZ       PHE  25 -15.152  -2.581  -2.302
  345    OH   TYR  26           OH       TYR  26  -4.472  -3.444   4.763
  346    H    TYR  26           HN       TYR  26  -7.057  -4.047  -0.445
  347    HA   TYR  26           HA       TYR  26  -5.416  -5.578  -1.166
  348   1HB   TYR  26           HB2      TYR  26  -7.206  -7.089   0.749
  349   2HB   TYR  26           HB1      TYR  26  -5.555  -7.570   0.420
  350    HD1  TYR  26           HD1      TYR  26  -4.168  -4.879   0.496
  351    HD2  TYR  26           HD2      TYR  26  -7.211  -6.539   2.948
  352    HE1  TYR  26           HE1      TYR  26  -3.438  -3.462   2.398
  353    HE2  TYR  26           HE2      TYR  26  -6.468  -5.133   4.819
  354    HH   TYR  26           HH       TYR  26  -5.020  -3.660   5.525
  355    H    THR  27           HN       THR  27  -5.113  -6.446  -3.145
  356    HA   THR  27           HA       THR  27  -7.076  -8.439  -4.196
  357    HB   THR  27           HB       THR  27  -6.082  -7.689  -6.475
  358    HG1  THR  27           HG1      THR  27  -5.391  -5.337  -5.283
  359   1HG2  THR  27          HG21      THR  27  -7.288  -5.582  -4.566
  360   2HG2  THR  27          HG23      THR  27  -7.418  -5.588  -6.320
  361   3HG2  THR  27          HG22      THR  27  -8.256  -6.798  -5.371
  362    HA   PRO  28           HA       PRO  28  -3.173 -10.645  -2.715
  363   1HB   PRO  28           HB2      PRO  28  -3.570  -7.860  -1.564
  364   2HB   PRO  28           HB1      PRO  28  -2.412  -9.088  -1.050
  365   1HG   PRO  28           HG2      PRO  28  -1.514  -7.280  -2.805
  366   2HG   PRO  28           HG1      PRO  28  -1.188  -8.966  -3.183
  367   1HD   PRO  28           HD1      PRO  28  -3.311  -7.153  -4.365
  368   2HD   PRO  28           HD2      PRO  28  -2.358  -8.399  -5.176
  369    H    LYS  29           HN       LYS  29  -5.419 -11.304  -3.418
  370    HA   LYS  29           HA       LYS  29  -6.995 -12.682  -1.901
  371   1HB   LYS  29           HB2      LYS  29  -7.176 -11.153  -0.073
  372   2HB   LYS  29           HB1      LYS  29  -7.580  -9.791  -1.017
  373   1HG   LYS  29           HG2      LYS  29  -9.844 -11.424  -1.458
  374   2HG   LYS  29           HG1      LYS  29  -9.261 -12.072   0.048
  375   1HD   LYS  29           HD2      LYS  29 -10.548 -10.371   0.951
  376   2HD   LYS  29           HD1      LYS  29  -9.109  -9.418   0.701
  377   1HE   LYS  29           HE2      LYS  29 -11.588  -9.504  -1.086
  378   2HE   LYS  29           HE1      LYS  29 -10.935  -8.120  -0.201
  379   1HZ   LYS  29           HZ1      LYS  29  -8.907  -9.139  -1.776
  380   2HZ   LYS  29           HZ3      LYS  29 -10.222  -9.015  -2.777
  381   3HZ   LYS  29           HZ2      LYS  29  -9.599  -7.672  -1.884
  382    H    THR  30           HN       THR  30  -7.114 -10.319  -4.167
  383    HA   THR  30           HA       THR  30  -9.262 -11.690  -5.727
  384    HB   THR  30           HB       THR  30  -9.533  -8.659  -5.211
  385    HG1  THR  30           HG1      THR  30 -10.472 -11.066  -4.043
  386   1HG2  THR  30          HG21      THR  30 -11.518 -10.824  -6.109
  387   2HG2  THR  30          HG23      THR  30 -11.813  -9.104  -5.997
  388   3HG2  THR  30          HG22      THR  30 -10.750  -9.723  -7.244
   
   
  No H/Q in entry =         388