*HEADER    TRANSCRIPTION                           12-DEC-01   1KLS              
*TITLE     NMR STRUCTURE OF THE ZFY-6T[Y10L] ZINC FINGER                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZINC FINGER Y-CHROMOSOMAL PROTEIN;                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS SYNTHESIZED BY SOLID-PHASE           
*SOURCE   4 SYNTHESIS. THE SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND            
*SOURCE   5 IN HOMO SAPIENS (HUMAN).                                             
*KEYWDS    ZINC FINGER                                                           
*EXPDTA    NMR, 30 STRUCTURES                                                    
*AUTHOR    M.J.LACHENMANN, J.E.LADBURY, N.B.PHILLIPS, N.NARAYANA,                
*AUTHOR   2 X.QIAN, M.A.WEISS                                                    
*REVDAT   1   13-MAR-02 1KLS    0                                                
remarks Structures 1-15 calculated with these constraints.
remarks Structures 16-30 calculated by switching assignments for 
remarks (residue 18 and name CD1) with (residue 18 and name CD2).

assign (resid  2 and name HA) (resid  3 and name HN)  2.70  2.70  0.00
assign (resid  2 and name HA) (resid  3 and name HD1)  4.30  4.30  0.00
assign (resid  2 and name HB) (resid  3 and name HN)  3.40  3.40  0.00
assign (resid  2 and name CG2) (resid  3 and name HN)  5.40  5.40  0.00
assign (resid  2 and name CG2) (resid 12 and name HN)  5.40  5.40  0.00
assign (resid  3 and name HN) (resid  3 and name CG)  5.50  5.50  0.00
assign (resid  3 and name HN) (resid 13 and name HA)  4.30  4.30  0.00
assign (resid  3 and name HA) (resid  4 and name HN)  2.70  2.70  0.00
assign (resid  3 and name HA) (resid 18 and name CD1)  7.90  7.90  0.00
assign (resid  3 and name HA) (resid 18 and name CD2)  7.90  7.90  0.00
assign (resid  3 and name HB2) (resid  4 and name HN)  4.30  4.30  0.00
assign (resid  3 and name HB1) (resid 12 and name HN)  4.30  4.30  0.00
assign (resid  3 and name HB1) (resid 12 and name HB1)  6.00  6.00  0.00
assign (resid  3 and name HB1) (resid 12 and name HB2)  6.00  6.00  0.00
assign (resid  3 and name HB2) (resid 18 and name CD1)  5.40  5.40  0.00
assign (resid  3 and name CG) (resid 12 and name HB1)  8.10  8.10  0.00
assign (resid  3 and name CG) (resid 12 and name HB2)  8.10  8.10  0.00
assign (resid  3 and name CG) (resid 14 and name HA)  6.40  6.40  0.00
assign (resid  3 and name HD2) (resid 15 and name HA)  4.30  4.30  0.00
assign (resid  3 and name HD2) (resid 15 and name HB1)  6.00  6.00  0.00
assign (resid  3 and name HD2) (resid 15 and name HB2)  6.00  6.00  0.00
assign (resid  3 and name HD2) (resid 18 and name CD1)  5.40  5.40  0.00
assign (resid  3 and name CZ) (resid 14 and name HA)  6.40  6.40  0.00
assign (resid  3 and name HE2) (resid 15 and name HA)  4.30  4.30  0.00
assign (resid  3 and name HE2) (resid 15 and name HB1)  4.30  4.30  0.00
assign (resid  3 and name HE2) (resid 15 and name HB2)  4.30  4.30  0.00
assign (resid  4 and name HA) (resid  5 and name HN)  4.30  4.30  0.00
assign (resid  4 and name HA) (resid 11 and name HA)  3.40  3.40  0.00
assign (resid  4 and name HA) (resid 11 and name HB1)  6.00  6.00  0.00
assign (resid  4 and name HA) (resid 11 and name HB2)  6.00  6.00  0.00
assign (resid  4 and name HG1) (resid  5 and name HN)  6.00  6.00  0.00
assign (resid  4 and name HG2) (resid  5 and name HN)  6.00  6.00  0.00
assign (resid  4 and name HE21) (resid  5 and name HN)  6.00  6.00  0.00
assign (resid  4 and name HE22) (resid  5 and name HN)  6.00  6.00  0.00
assign (resid  4 and name HE21) (resid  9 and name HA)  5.10  5.10  0.00
assign (resid  4 and name HE22) (resid  9 and name HA)  5.10  5.10  0.00
assign (resid  5 and name HN) (resid 10 and name CD1)  7.90  7.90  0.00
assign (resid  5 and name HN) (resid 10 and name CD2)  7.90  7.90  0.00
assign (resid  5 and name HN) (resid 11 and name HA)  4.30  4.30  0.00
assign (resid  5 and name HN) (resid 18 and name CD2)  5.40  5.40  0.00
assign (resid  5 and name HA) (resid 18 and name CD1)  5.40  5.40  0.00
assign (resid  5 and name HA) (resid 18 and name CD2)  5.40  5.40  0.00
assign (resid  5 and name HB2) (resid  6 and name HN)  4.30  4.30  0.00
assign (resid  5 and name HB2) (resid  7 and name HN)  4.30  4.30  0.00
assign (resid  5 and name HB2) (resid  8 and name HN)  3.40  3.40  0.00
assign (resid  5 and name HB2) (resid 10 and name HN)  4.30  4.30  0.00
assign (resid  5 and name HB1) (resid 10 and name HB2)  4.30  4.30  0.00
assign (resid  5 and name HB2) (resid 10 and name HB2)  4.30  4.30  0.00
assign (resid  5 and name HB1) (resid 10 and name CD2)  5.40  5.40  0.00
assign (resid  5 and name HB1) (resid 18 and name CD2)  4.50  4.50  0.00
assign (resid  5 and name HB1) (resid 21 and name HD2)  3.40  3.40  0.00
assign (resid  6 and name HN) (resid  7 and name HN)  3.40  3.40  0.00
assign (resid  6 and name HA) (resid  7 and name HN)  4.30  4.30  0.00
assign (resid  6 and name HB1) (resid  7 and name HN)  6.00  6.00  0.00
assign (resid  6 and name HB2) (resid  7 and name HN)  6.00  6.00  0.00
assign (resid  6 and name HG1) (resid  7 and name HN)  6.00  6.00  0.00
assign (resid  6 and name HG2) (resid  7 and name HN)  6.00  6.00  0.00
assign (resid  7 and name HN) (resid  7 and name CG)  6.40  6.40  0.00
assign (resid  7 and name HN) (resid  8 and name HN)  2.70  2.70  0.00
assign (resid  7 and name HA) (resid  8 and name HN)  4.30  4.30  0.00
assign (resid  7 and name HB1) (resid  8 and name HN)  3.40  3.40  0.00
assign (resid  7 and name HB1) (resid 26 and name HE1)  4.30  4.30  0.00
assign (resid  7 and name HB1) (resid 26 and name HD2)  4.30  4.30  0.00
assign (resid  7 and name HB2) (resid 26 and name HE1)  4.30  4.30  0.00
assign (resid  7 and name CG) (resid 22 and name HG11)  7.20  7.20  0.00
assign (resid  7 and name CG) (resid 22 and name HG12)  7.20  7.20  0.00
assign (resid  7 and name HD2) (resid 22 and name CG2)  5.40  5.40  0.00
assign (resid  7 and name CG) (resid 22 and name CD)  7.50  7.50  0.00
assign (resid  7 and name CG) (resid 26 and name HB1)  6.00  6.00  0.00
assign (resid  7 and name CG) (resid 26 and name HB2)  6.00  6.00  0.00
assign (resid  7 and name HD2) (resid 26 and name HD2)  3.40  3.40  0.00
assign (resid  7 and name CZ) (resid 22 and name CD)  7.50  7.50  0.00
assign (resid  7 and name HE2) (resid 22 and name CG2)  5.40  5.40  0.00
assign (resid  8 and name HN) (resid  9 and name HN)  3.40  3.40  0.00
assign (resid  8 and name HA) (resid  9 and name HN)  4.30  4.30  0.00
assign (resid  8 and name HB1) (resid  9 and name HN)  4.30  4.30  0.00
assign (resid  8 and name HB2) (resid  9 and name HN)  4.30  4.30  0.00
assign (resid  8 and name HB1) (resid 10 and name HN)  6.00  6.00  0.00
assign (resid  8 and name HB2) (resid 10 and name HN)  6.00  6.00  0.00
assign (resid  8 and name HB1) (resid 26 and name HE1)  4.30  4.30  0.00
assign (resid  8 and name HB2) (resid 26 and name HE1)  4.30  4.30  0.00
assign (resid  9 and name HA) (resid 10 and name HN)  4.30  4.30  0.00
assign (resid  9 and name HN) (resid 10 and name HN)  3.40  3.40  0.00
assign (resid  9 and name HB1) (resid 10 and name HN)  6.00  6.00  0.00
assign (resid  9 and name HB2) (resid 10 and name HN)  6.00  6.00  0.00
assign (resid 10 and name HA) (resid 11 and name HN)  2.70  2.70  0.00
assign (resid 10 and name HB1) (resid 11 and name HN)  6.00  6.00  0.00
assign (resid 10 and name HB2) (resid 11 and name HN)  6.00  6.00  0.00
assign (resid 10 and name HB1) (resid 21 and name HE1)  6.00  6.00  0.00
assign (resid 10 and name HB2) (resid 21 and name HE1)  6.00  6.00  0.00
assign (resid 10 and name HG) (resid 11 and name HN)  3.40  3.40  0.00
assign (resid 10 and name CD1) (resid 11 and name HN)  5.40  5.40  0.00
assign (resid 10 and name CD2) (resid 11 and name HB1)  7.10  7.10  0.00
assign (resid 10 and name CD2) (resid 11 and name HB2)  7.10  7.10  0.00
assign (resid 10 and name CD2) (resid 12 and name HB1)  7.10  7.10  0.00
assign (resid 10 and name CD2) (resid 12 and name HB2)  7.10  7.10  0.00
assign (resid 10 and name CD2) (resid 18 and name CD2)  6.50  6.50  0.00
assign (resid 10 and name CD2) (resid 21 and name HB2)  5.40  5.40  0.00
assign (resid 10 and name CD2) (resid 21 and name HD2)  5.40  5.40  0.00
assign (resid 10 and name CD2) (resid 21 and name HE1)  5.40  5.40  0.00
assign (resid 10 and name CD1) (resid 21 and name HE1)  5.40  5.40  0.00
assign (resid 11 and name HA) (resid 12 and name HN)  2.70  2.70  0.00
assign (resid 11 and name HB1) (resid 12 and name HN)  6.00  6.00  0.00
assign (resid 11 and name HB2) (resid 12 and name HN)  6.00  6.00  0.00
assign (resid 12 and name HA) (resid 13 and name HN)  4.30  4.30  0.00
assign (resid 12 and name HB1) (resid 13 and name HN)  6.00  6.00  0.00
assign (resid 12 and name HB2) (resid 13 and name HN)  6.00  6.00  0.00
assign (resid 12 and name HB1) (resid 14 and name HN)  6.00  6.00  0.00
assign (resid 12 and name HB2) (resid 14 and name HN)  6.00  6.00  0.00
assign (resid 12 and name HB1) (resid 18 and name HN)  6.00  6.00  0.00
assign (resid 12 and name HB2) (resid 18 and name HN)  6.00  6.00  0.00
assign (resid 12 and name HB1) (resid 18 and name HB1)  6.00  6.00  0.00
assign (resid 12 and name HB2) (resid 18 and name HB1)  6.00  6.00  0.00
assign (resid 13 and name HN) (resid 14 and name HN)  4.30  4.30  0.00
assign (resid 13 and name CB) (resid 14 and name HN)  5.40  5.40  0.00
assign (resid 14 and name HA) (resid 15 and name HN)  4.30  4.30  0.00
assign (resid 14 and name HB1) (resid 17 and name HN)  6.00  6.00  0.00
assign (resid 14 and name HB2) (resid 17 and name HN)  6.00  6.00  0.00
assign (resid 15 and name HA) (resid 16 and name HN)  4.30  4.30  0.00
assign (resid 15 and name HA) (resid 18 and name HN)  4.30  4.30  0.00
assign (resid 15 and name HA) (resid 18 and name HB2)  3.40  3.40  0.00
assign (resid 15 and name HA) (resid 18 and name CD1)  5.40  5.40  0.00
assign (resid 15 and name HA) (resid 19 and name HN)  5.00  5.00  0.00
assign (resid 15 and name HB1) (resid 16 and name HN)  6.00  6.00  0.00
assign (resid 15 and name HB2) (resid 16 and name HN)  6.00  6.00  0.00
assign (resid 16 and name HN) (resid 17 and name HN)  4.30  4.30  0.00
assign (resid 16 and name HA) (resid 17 and name HN)  4.30  4.30  0.00
assign (resid 16 and name HB1) (resid 17 and name HN)  6.00  6.00  0.00
assign (resid 16 and name HB2) (resid 17 and name HN)  6.00  6.00  0.00
assign (resid 17 and name HA) (resid 18 and name HN)  4.30  4.30  0.00
assign (resid 17 and name HN) (resid 18 and name HN)  3.40  3.40  0.00
assign (resid 17 and name HA) (resid 20 and name HN)  4.30  4.30  0.00
assign (resid 17 and name HB1) (resid 18 and name HN)  6.00  6.00  0.00
assign (resid 17 and name HB2) (resid 18 and name HN)  6.00  6.00  0.00
assign (resid 18 and name HN) (resid 19 and name HN)  3.40  3.40  0.00
assign (resid 18 and name HA) (resid 19 and name HN)  4.30  4.30  0.00
assign (resid 18 and name HA) (resid 21 and name HN)  3.40  3.40  0.00
assign (resid 18 and name HB2) (resid 19 and name HN)  4.30  4.30  0.00
assign (resid 18 and name HG) (resid 22 and name CD)  5.40  5.40  0.00
assign (resid 18 and name CD2) (resid 21 and name HB2)  5.40  5.40  0.00
assign (resid 18 and name CD1) (resid 21 and name HD2)  7.90  7.90  0.00
assign (resid 18 and name CD2) (resid 21 and name HD2)  7.90  7.90  0.00
assign (resid 18 and name CD1) (resid 22 and name HN)  7.90  7.90  0.00
assign (resid 18 and name CD2) (resid 22 and name HN)  7.90  7.90  0.00
assign (resid 18 and name CD1) (resid 22 and name HG11)  9.60  9.60  0.00
assign (resid 18 and name CD1) (resid 22 and name HG12)  9.60  9.60  0.00
assign (resid 18 and name CD2) (resid 22 and name HG11)  9.60  9.60  0.00
assign (resid 18 and name CD2) (resid 22 and name HG12)  9.60  9.60  0.00
assign (resid 19 and name HN) (resid 20 and name HN)  4.30  4.30  0.00
assign (resid 19 and name HA) (resid 20 and name HN)  4.30  4.30  0.00
assign (resid 19 and name HA) (resid 22 and name HN)  4.30  4.30  0.00
assign (resid 19 and name HA) (resid 22 and name CD)  5.40  5.40  0.00
assign (resid 19 and name HB1) (resid 20 and name HN)  5.10  5.10  0.00
assign (resid 19 and name HB2) (resid 20 and name HN)  5.10  5.10  0.00
assign (resid 20 and name HN) (resid 21 and name HN)  4.30  4.30  0.00
assign (resid 20 and name HA) (resid 21 and name HN)  4.30  4.30  0.00
assign (resid 20 and name HA) (resid 23 and name HN)  4.30  4.30  0.00
assign (resid 20 and name HA) (resid 23 and name HB1)  5.10  5.10  0.00
assign (resid 20 and name HA) (resid 23 and name HB2)  5.10  5.10  0.00
assign (resid 20 and name HA) (resid 24 and name HN)  4.30  4.30  0.00
assign (resid 20 and name CG2) (resid 21 and name HN)  5.40  5.40  0.00
assign (resid 21 and name HA) (resid 22 and name HN)  4.30  4.30  0.00
assign (resid 21 and name HA) (resid 24 and name HN)  4.30  4.30  0.00
assign (resid 21 and name HN) (resid 22 and name HN)  3.40  3.40  0.00
assign (resid 21 and name HB2) (resid 22 and name HN)  3.40  3.40  0.00
assign (resid 21 and name HD2) (resid 22 and name HN)  4.30  4.30  0.00
assign (resid 21 and name HD2) (resid 22 and name HA)  4.30  4.30  0.00
assign (resid 21 and name HD2) (resid 22 and name HG11)  5.10  5.10  0.00
assign (resid 21 and name HD2) (resid 22 and name HG12)  5.10  5.10  0.00
assign (resid 21 and name HD2) (resid 22 and name CD)  5.40  5.40  0.00
assign (resid 21 and name HD2) (resid 26 and name HD2)  3.40  3.40  0.00
assign (resid 21 and name HE1) (resid 25 and name HB1)  4.30  4.30  0.00
assign (resid 21 and name HE1) (resid 25 and name HB2)  4.30  4.30  0.00
assign (resid 21 and name HE1) (resid 25 and name HG1)  6.00  6.00  0.00
assign (resid 21 and name HE1) (resid 25 and name HG2)  6.00  6.00  0.00
assign (resid 22 and name HN) (resid 23 and name HN)  3.40  3.40  0.00
assign (resid 22 and name HN) (resid 26 and name HD2)  4.30  4.30  0.00
assign (resid 22 and name HA) (resid 23 and name HN)  4.30  4.30  0.00
assign (resid 22 and name HA) (resid 25 and name HN)  4.30  4.30  0.00
assign (resid 22 and name HA) (resid 26 and name HN)  4.30  4.30  0.00
assign (resid 22 and name HA) (resid 26 and name HD2)  2.70  2.70  0.00
assign (resid 22 and name HB) (resid 23 and name HN)  4.30  4.30  0.00
assign (resid 22 and name HG11) (resid 26 and name HD2)  5.10  5.10  0.00
assign (resid 22 and name HG12) (resid 26 and name HD2)  5.10  5.10  0.00
assign (resid 22 and name CG2) (resid 23 and name HN)  5.40  5.40  0.00
assign (resid 22 and name CG2) (resid 26 and name HD2)  5.40  5.40  0.00
assign (resid 22 and name CG2) (resid 26 and name HB1)  5.40  5.40  0.00
assign (resid 22 and name CD) (resid 26 and name HD2)  5.40  5.40  0.00
assign (resid 23 and name HN) (resid 24 and name HN)  4.30  4.30  0.00
assign (resid 23 and name HA) (resid 27 and name HN)  4.30  4.30  0.00
assign (resid 23 and name HB1) (resid 24 and name HN)  5.10  5.10  0.00
assign (resid 23 and name HB2) (resid 24 and name HN)  5.10  5.10  0.00
assign (resid 24 and name HN) (resid 25 and name HN)  3.40  3.40  0.00
assign (resid 24 and name HA) (resid 25 and name HN)  3.40  3.40  0.00
assign (resid 24 and name HA) (resid 26 and name HN)  4.30  4.30  0.00
assign (resid 24 and name CG2) (resid 25 and name HN)  5.40  5.40  0.00
assign (resid 25 and name HN) (resid 26 and name HN)  3.40  3.40  0.00
assign (resid 25 and name HA) (resid 26 and name HN)  4.30  4.30  0.00
assign (resid 25 and name HB1) (resid 26 and name HN)  4.30  4.30  0.00
assign (resid 25 and name HB1) (resid 26 and name HD2)  4.30  4.30  0.00
assign (resid 25 and name HB2) (resid 26 and name HE1)  4.30  4.30  0.00
assign (resid 26 and name HN) (resid 27 and name HN)  3.40  3.40  0.00
assign (resid 26 and name HN) (resid 26 and name HD2)  4.30  4.30  0.00
assign (resid 26 and name HA) (resid 27 and name HN)  4.30  4.30  0.00
assign (resid 26 and name HB1) (resid 27 and name HN)  6.00  6.00  0.00
assign (resid 26 and name HB2) (resid 27 and name HN)  6.00  6.00  0.00
assign (resid 27 and name HA) (resid 28 and name HN)  4.30  4.30  0.00
assign (resid 27 and name HN) (resid 28 and name HN)  3.40  3.40  0.00
assign (resid 28 and name HA) (resid 29 and name HN)  3.40  3.40  0.00
assign (resid 28 and name HB1) (resid 29 and name HN)  6.00  6.00  0.00
assign (resid 28 and name HB2) (resid 29 and name HN)  6.00  6.00  0.00
assign (resid 28 and name HB1) (resid 30 and name HN)  6.00  6.00  0.00
assign (resid 28 and name HB2) (resid 30 and name HN)  6.00  6.00  0.00
assign (resid 29 and name HA) (resid 30 and name HN)  4.30  4.30  0.00
assign (resid 31 and name ZN) (resid  5 and name SG)  2.40  0.20  0.00
assign (resid 31 and name ZN) (resid  8 and name SG)  2.40  0.20  0.00
assign (resid 31 and name ZN) (resid 21 and name NE2)  2.10  0.20  0.00
assign (resid 31 and name ZN) (resid 26 and name NE2)  2.10  0.20  0.00
assign (resid  5 and name SG) (resid  8 and name SG)  3.90  0.30  0.00
assign (resid  5 and name SG) (resid 21 and name NE2)  3.60  0.20  0.00
assign (resid  5 and name SG) (resid 26 and name NE2)  3.60  0.20  0.00
assign (resid  8 and name SG) (resid 21 and name NE2)  3.70  0.40  0.00
assign (resid  8 and name SG) (resid 26 and name NE2)  3.80  0.40  0.00
assign (resid 21 and name NE2) (resid 26 and name NE2)  3.30  0.30  0.00
assign (resid  7 and name HN) (resid  5 and name SG)  3.40  1.20  0.00
assign (resid  7 and name N) (resid  5 and name SG)  3.80  1.30  0.00
assign (resid  8 and name HN) (resid  5 and name SG)  3.40  1.20  0.00
assign (resid  8 and name N) (resid  5 and name SG)  3.80  1.30  0.00
assign (resid 10 and name HN) (resid  8 and name SG)  3.40  1.20  0.00
assign (resid 10 and name N) (resid  8 and name SG)  3.80  1.30  0.00

assign (resid 4  and name C) (resid 5  and name N) (resid 5  and name CA) (resid 5  and name C)  1  -65.0 40.0 2
assign (resid 9  and name C) (resid 10 and name N) (resid 10 and name CA) (resid 10 and name C)  1  -65.0 40.0 2
assign (resid 16 and name C) (resid 17 and name N) (resid 17 and name CA) (resid 17 and name C)  1  -65.0 40.0 2
assign (resid 17 and name C) (resid 18 and name N) (resid 18 and name CA) (resid 18 and name C)  1  -65.0 40.0 2
assign (resid 18 and name C) (resid 19 and name N) (resid 19 and name CA) (resid 19 and name C)  1  -65.0 40.0 2
assign (resid 19 and name C) (resid 20 and name N) (resid 20 and name CA) (resid 20 and name C)  1  -65.0 40.0 2
assign (resid 20 and name C) (resid 21 and name N) (resid 21 and name CA) (resid 21 and name C)  1  -65.0 40.0 2
assign (resid 21 and name C) (resid 22 and name N) (resid 22 and name CA) (resid 22 and name C)  1  -65.0 40.0 2
assign (resid 22 and name C) (resid 23 and name N) (resid 23 and name CA) (resid 23 and name C)  1  -65.0 40.0 2

assign (resid 2 and name C) (resid 3 and name N) (resid 3 and name CA) (resid 3 and name C)  1  -120.0 40.0 2
assign (resid 3 and name C) (resid 4 and name N) (resid 4 and name CA) (resid 4 and name C)  1  -120.0 40.0 2
assign (resid 6 and name C) (resid 7 and name N) (resid 7 and name CA) (resid 7 and name C)  1  -120.0 40.0 2
assign (resid 10 and name C) (resid 11 and name N) (resid 11 and name CA) (resid 11 and name C)  1  -120.0 40.0 2
assign (resid 11 and name C) (resid 12 and name N) (resid 12 and name CA) (resid 12 and name C)  1  -120.0 40.0 2
assign (resid 13 and name C) (resid 14 and name N) (resid 14 and name CA) (resid 14 and name C)  1  -120.0 40.0 2
assign (resid 24 and name C) (resid 25 and name N) (resid 25 and name CA) (resid 25 and name C)  1  -120.0 40.0 2
assign (resid 25 and name C) (resid 26 and name N) (resid 26 and name CA) (resid 26 and name C)  1  -120.0 40.0 2

assign (resid 3 and name N) (resid 3 and name CA) (resid 3 and name CB) (resid 3 and name CG)  1  -60.0 40.0 2
assign (resid 4 and name N) (resid 4 and name CA) (resid 4 and name CB) (resid 4 and name CG)  1  +180.0 40.0 2
assign (resid 5 and name N) (resid 5 and name CA) (resid 5 and name CB) (resid 5 and name SG)  1  +180.0 40.0 2
assign (resid 7 and name N) (resid 7 and name CA) (resid 7 and name CB) (resid 7 and name CG)  1  -60.0 40.0 2
assign (resid 10 and name N) (resid 10 and name CA) (resid 10 and name CB) (resid 10 and name CG)  1  +180.0 40.0 2
assign (resid 18 and name N) (resid 18 and name CA) (resid 18 and name CB) (resid 18 and name CG)  1  180.0 40.0 2
assign (resid 21 and name N) (resid 21 and name CA) (resid 21 and name CB) (resid 21 and name CG)  1  180.0 40.0 2
assign (resid 22 and name N) (resid 22 and name CA) (resid 22 and name CB) (resid 22 and name CG1)  1  -60.0 40.0 2
assign (resid 25 and name N) (resid 25 and name CA) (resid 25 and name CB) (resid 25 and name CG)  1  -60.0 40.0 2
assign (resid 26 and name N) (resid 26 and name CA) (resid 26 and name CB) (resid 26 and name CG)  1  -60.0 40.0 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          1H        LYS   1 -12.360   7.848  -3.080
    2   2H    LYS   1          2H        LYS   1 -13.570   8.981  -3.447
    3   3H    LYS   1          3H        LYS   1 -13.988   7.482  -2.776
    4    HA   LYS   1           HA       LYS   1 -13.391   9.882  -1.478
    5   1HB   LYS   1          2HB       LYS   1 -14.036   8.501   0.538
    6   2HB   LYS   1          1HB       LYS   1 -15.169   8.370  -0.785
    7   1HG   LYS   1          2HG       LYS   1 -13.912   6.186  -1.456
    8   2HG   LYS   1          1HG       LYS   1 -13.116   6.316   0.105
    9   1HD   LYS   1          2HD       LYS   1 -15.294   6.296   1.263
   10   2HD   LYS   1          1HD       LYS   1 -16.123   6.208  -0.283
   11   1HE   LYS   1          2HE       LYS   1 -15.961   3.953   0.682
   12   2HE   LYS   1          1HE       LYS   1 -14.968   4.037  -0.763
   13   1HZ   LYS   1          1HZ       LYS   1 -14.198   3.369   1.824
   14   2HZ   LYS   1          2HZ       LYS   1 -13.412   4.821   1.428
   15   3HZ   LYS   1          3HZ       LYS   1 -13.234   3.459   0.427
   16    H    THR   2           H        THR   2 -11.768   6.713  -1.129
   17    HA   THR   2           HA       THR   2  -9.263   8.143  -0.340
   18    HB   THR   2           HB       THR   2 -10.339   7.174   1.739
   19    HG1  THR   2           HG1      THR   2  -8.379   6.848   2.292
   20   1HG2  THR   2          1HG2      THR   2 -11.402   5.088   0.637
   21   2HG2  THR   2          2HG2      THR   2 -10.405   4.709   2.030
   22   3HG2  THR   2          3HG2      THR   2  -9.779   4.457   0.411
   23    H    TYR   3           H        TYR   3  -7.575   6.369  -0.216
   24    HA   TYR   3           HA       TYR   3  -7.509   4.832  -2.801
   25   1HB   TYR   3          1HB       TYR   3  -5.280   6.234  -1.246
   26   2HB   TYR   3          2HB       TYR   3  -4.973   5.096  -2.555
   27    HD1  TYR   3           HD1      TYR   3  -7.532   7.911  -2.385
   28    HD2  TYR   3           HD2      TYR   3  -4.042   6.327  -4.252
   29    HE1  TYR   3           HE1      TYR   3  -7.596   9.701  -4.012
   30    HE2  TYR   3           HE2      TYR   3  -4.113   8.139  -5.886
   31    HH   TYR   3           HH       TYR   3  -5.075  10.061  -6.474
   32    H    GLN   4           H        GLN   4  -7.101   2.729  -2.603
   33    HA   GLN   4           HA       GLN   4  -6.636   1.561   0.105
   34   1HB   GLN   4          1HB       GLN   4  -8.823   1.041  -0.961
   35   2HB   GLN   4          2HB       GLN   4  -7.998   0.444  -2.401
   36   1HG   GLN   4          2HG       GLN   4  -8.829  -1.412  -1.093
   37   2HG   GLN   4          1HG       GLN   4  -7.090  -1.467  -1.064
   38   1HE2  GLN   4          2HE2      GLN   4  -9.730  -1.841   0.891
   39   2HE2  GLN   4          1HE2      GLN   4  -9.038  -1.442   2.390
   40    H    CYS   5           H        CYS   5  -5.596  -0.726  -0.152
   41    HA   CYS   5           HA       CYS   5  -3.028  -0.323  -1.569
   42   1HB   CYS   5          1HB       CYS   5  -3.049  -1.038   0.790
   43   2HB   CYS   5          2HB       CYS   5  -3.974  -2.477   0.360
   44    H    GLN   6           H        GLN   6  -2.108  -2.396  -2.556
   45    HA   GLN   6           HA       GLN   6  -4.187  -3.698  -4.281
   46   1HB   GLN   6          1HB       GLN   6  -2.628  -1.936  -5.292
   47   2HB   GLN   6          2HB       GLN   6  -1.312  -3.058  -5.024
   48   1HG   GLN   6          2HG       GLN   6  -2.421  -4.731  -6.510
   49   2HG   GLN   6          1HG       GLN   6  -3.781  -3.635  -6.721
   50   1HE2  GLN   6          1HE2      GLN   6  -0.992  -4.649  -8.206
   51   2HE2  GLN   6          2HE2      GLN   6  -0.654  -3.273  -9.141
   52    H    TYR   7           H        TYR   7  -2.585  -4.420  -1.712
   53    HA   TYR   7           HA       TYR   7  -1.911  -7.198  -2.569
   54   1HB   TYR   7          1HB       TYR   7  -0.363  -5.347  -0.740
   55   2HB   TYR   7          2HB       TYR   7  -0.066  -7.080  -0.773
   56    HD1  TYR   7           HD1      TYR   7   0.037  -8.017  -3.356
   57    HD2  TYR   7           HD2      TYR   7   1.099  -4.077  -2.116
   58    HE1  TYR   7           HE1      TYR   7   1.432  -7.766  -5.343
   59    HE2  TYR   7           HE2      TYR   7   2.502  -3.839  -4.110
   60    HH   TYR   7           HH       TYR   7   2.774  -6.445  -6.504
   61    H    CYS   8           H        CYS   8  -2.702  -5.155   0.267
   62    HA   CYS   8           HA       CYS   8  -4.047  -7.534   1.467
   63   1HB   CYS   8          1HB       CYS   8  -3.583  -6.464   3.619
   64   2HB   CYS   8          2HB       CYS   8  -2.104  -6.663   2.735
   65    H    GLU   9           H        GLU   9  -4.784  -4.721   3.010
   66    HA   GLU   9           HA       GLU   9  -6.838  -3.628   1.277
   67   1HB   GLU   9          1HB       GLU   9  -8.786  -4.355   2.725
   68   2HB   GLU   9          2HB       GLU   9  -8.016  -5.698   1.912
   69   1HG   GLU   9          2HG       GLU   9  -6.721  -6.228   3.990
   70   2HG   GLU   9          1HG       GLU   9  -7.468  -4.866   4.810
   71    H    LEU  10           H        LEU  10  -4.689  -2.550   2.578
   72    HA   LEU  10           HA       LEU  10  -5.842  -1.004   4.863
   73   1HB   LEU  10          1HB       LEU  10  -3.742  -2.264   5.299
   74   2HB   LEU  10          2HB       LEU  10  -2.936  -1.388   3.997
   75    HG   LEU  10           HG       LEU  10  -4.212   0.170   6.279
   76   1HD1  LEU  10          1HD1      LEU  10  -2.760  -1.578   7.336
   77   2HD1  LEU  10          2HD1      LEU  10  -2.065   0.023   7.515
   78   3HD1  LEU  10          3HD1      LEU  10  -1.421  -1.087   6.312
   79   1HD2  LEU  10          1HD2      LEU  10  -2.364   1.756   5.756
   80   2HD2  LEU  10          2HD2      LEU  10  -3.254   1.425   4.293
   81   3HD2  LEU  10          3HD2      LEU  10  -1.713   0.639   4.571
   82    H    ARG  11           H        ARG  11  -6.267   1.040   4.616
   83    HA   ARG  11           HA       ARG  11  -5.422   2.437   2.109
   84   1HB   ARG  11          1HB       ARG  11  -7.523   3.777   2.361
   85   2HB   ARG  11          2HB       ARG  11  -7.859   2.076   2.184
   86   1HG   ARG  11          2HG       ARG  11  -9.322   2.739   3.905
   87   2HG   ARG  11          1HG       ARG  11  -8.001   2.029   4.802
   88   1HD   ARG  11          2HD       ARG  11  -8.629   4.087   5.902
   89   2HD   ARG  11          1HD       ARG  11  -7.082   4.411   5.167
   90    HE   ARG  11           HE       ARG  11  -8.472   5.486   3.253
   91   1HH1  ARG  11          1HH2      ARG  11 -11.127   4.892   4.373
   92   2HH1  ARG  11          2HH2      ARG  11 -11.509   6.354   5.217
   93   1HH2  ARG  11          2HH1      ARG  11  -8.172   7.424   5.203
   94   2HH2  ARG  11          1HH1      ARG  11  -9.774   7.853   5.722
   95    H    SER  12           H        SER  12  -5.413   4.750   2.344
   96    HA   SER  12           HA       SER  12  -4.363   5.710   4.993
   97   1HB   SER  12          2HB       SER  12  -2.427   5.261   3.441
   98   2HB   SER  12          1HB       SER  12  -3.151   6.289   2.199
   99    HG   SER  12           HG       SER  12  -2.370   7.914   3.237
  100    H    ALA  13           H        ALA  13  -4.615   7.304   1.920
  101    HA   ALA  13           HA       ALA  13  -7.199   8.532   2.278
  102   1HB   ALA  13          1HB       ALA  13  -6.336  10.877   2.499
  103   2HB   ALA  13          2HB       ALA  13  -4.682  10.286   2.577
  104   3HB   ALA  13          3HB       ALA  13  -5.806   9.933   3.877
  105    H    ASP  14           H        ASP  14  -4.032   9.387   0.990
  106    HA   ASP  14           HA       ASP  14  -4.937   8.821  -1.779
  107   1HB   ASP  14          1HB       ASP  14  -3.545  11.341  -0.804
  108   2HB   ASP  14          2HB       ASP  14  -3.660  10.904  -2.498
  109    H    SER  15           H        SER  15  -3.225   8.628  -3.292
  110    HA   SER  15           HA       SER  15  -1.373   6.681  -2.906
  111   1HB   SER  15          2HB       SER  15  -0.058   7.767  -4.841
  112   2HB   SER  15          1HB       SER  15  -1.790   7.627  -5.148
  113    HG   SER  15           HG       SER  15  -0.288   9.834  -4.924
  114    H    SER  16           H        SER  16  -0.693  10.053  -2.630
  115    HA   SER  16           HA       SER  16   1.692  10.743  -2.062
  116   1HB   SER  16          2HB       SER  16   0.895  12.131  -0.067
  117   2HB   SER  16          1HB       SER  16  -0.200  12.183  -1.459
  118    HG   SER  16           HG       SER  16  -1.627  11.199  -0.313
  119    H    ASN  17           H        ASN  17   0.083   8.919   0.469
  120    HA   ASN  17           HA       ASN  17   2.682   8.415   1.842
  121   1HB   ASN  17          1HB       ASN  17   1.027   9.518   3.249
  122   2HB   ASN  17          2HB       ASN  17  -0.205   8.352   2.804
  123   1HD2  ASN  17          1HD2      ASN  17  -0.574   6.958   4.472
  124   2HD2  ASN  17          2HD2      ASN  17   0.599   6.316   5.517
  125    H    LEU  18           H        LEU  18  -0.295   6.862   0.807
  126    HA   LEU  18           HA       LEU  18   0.023   4.237   1.508
  127   1HB   LEU  18          1HB       LEU  18  -1.759   5.549   0.036
  128   2HB   LEU  18          2HB       LEU  18  -0.844   4.916  -1.327
  129    HG   LEU  18           HG       LEU  18  -1.792   3.049   0.889
  130   1HD1  LEU  18          1HD1      LEU  18  -3.383   3.902  -1.577
  131   2HD1  LEU  18          2HD1      LEU  18  -3.777   4.354   0.075
  132   3HD1  LEU  18          3HD1      LEU  18  -3.858   2.675  -0.412
  133   1HD2  LEU  18          1HD2      LEU  18  -1.770   1.401  -0.945
  134   2HD2  LEU  18          2HD2      LEU  18  -0.203   2.165  -0.828
  135   3HD2  LEU  18          3HD2      LEU  18  -1.314   2.646  -2.096
  136    H    LYS  19           H        LYS  19   1.591   5.720  -1.283
  137    HA   LYS  19           HA       LYS  19   2.827   3.574  -2.533
  138   1HB   LYS  19          1HB       LYS  19   4.082   6.277  -1.870
  139   2HB   LYS  19          2HB       LYS  19   4.751   5.172  -3.047
  140   1HG   LYS  19          2HG       LYS  19   2.027   6.540  -3.174
  141   2HG   LYS  19          1HG       LYS  19   3.404   6.922  -4.165
  142   1HD   LYS  19          2HD       LYS  19   1.793   4.326  -4.243
  143   2HD   LYS  19          1HD       LYS  19   1.804   5.592  -5.447
  144   1HE   LYS  19          2HE       LYS  19   4.227   3.884  -4.732
  145   2HE   LYS  19          1HE       LYS  19   3.231   3.710  -6.165
  146   1HZ   LYS  19          1HZ       LYS  19   4.432   5.233  -7.156
  147   2HZ   LYS  19          2HZ       LYS  19   5.388   5.430  -5.765
  148   3HZ   LYS  19          3HZ       LYS  19   4.001   6.383  -5.985
  149    H    THR  20           H        THR  20   4.081   5.275   0.274
  150    HA   THR  20           HA       THR  20   6.431   3.762   0.717
  151    HB   THR  20           HB       THR  20   4.642   5.140   2.817
  152    HG1  THR  20           HG1      THR  20   5.346   6.825   1.800
  153   1HG2  THR  20          1HG2      THR  20   6.545   3.685   3.772
  154   2HG2  THR  20          2HG2      THR  20   6.790   5.400   4.039
  155   3HG2  THR  20          3HG2      THR  20   7.663   4.579   2.755
  156    H    HIS  21           H        HIS  21   3.258   3.402   2.268
  157    HA   HIS  21           HA       HIS  21   3.584   1.203   3.881
  158   1HB   HIS  21          1HB       HIS  21   1.340   2.108   3.707
  159   2HB   HIS  21          2HB       HIS  21   1.251   1.821   1.984
  160    HD1  HIS  21           HD1      HIS  21   1.300  -0.249   5.138
  161    HD2  HIS  21           HD2      HIS  21   0.208  -0.556   1.216
  162    HE1  HIS  21           HE1      HIS  21   0.150  -2.422   4.905
  163    H    ILE  22           H        ILE  22   2.687   0.918   0.516
  164    HA   ILE  22           HA       ILE  22   2.942  -1.805   0.068
  165    HB   ILE  22           HB       ILE  22   3.668   0.451  -1.870
  166   1HG1  ILE  22          2HG1      ILE  22   1.007  -1.013  -1.491
  167   2HG1  ILE  22          1HG1      ILE  22   1.347   0.554  -0.786
  168   1HG2  ILE  22          1HG2      ILE  22   2.839  -2.444  -2.396
  169   2HG2  ILE  22          2HG2      ILE  22   4.447  -1.797  -2.656
  170   3HG2  ILE  22          3HG2      ILE  22   3.118  -1.237  -3.641
  171   1HD1  ILE  22          1HD       ILE  22   1.386  -0.024  -3.775
  172   2HD1  ILE  22          2HD       ILE  22   1.693   1.532  -3.024
  173   3HD1  ILE  22          3HD       ILE  22   0.105   0.795  -2.911
  174    H    LYS  23           H        LYS  23   5.506   0.416  -0.941
  175    HA   LYS  23           HA       LYS  23   7.522  -1.320  -1.534
  176   1HB   LYS  23          1HB       LYS  23   7.697   1.348  -0.126
  177   2HB   LYS  23          2HB       LYS  23   9.130   0.503  -0.683
  178   1HG   LYS  23          2HG       LYS  23   8.040   0.392  -3.004
  179   2HG   LYS  23          1HG       LYS  23   6.802   1.477  -2.404
  180   1HD   LYS  23          2HD       LYS  23   9.794   2.066  -2.395
  181   2HD   LYS  23          1HD       LYS  23   8.689   2.648  -3.618
  182   1HE   LYS  23          2HE       LYS  23   8.523   3.333  -0.640
  183   2HE   LYS  23          1HE       LYS  23   9.148   4.383  -1.899
  184   1HZ   LYS  23          1HZ       LYS  23   7.124   5.076  -2.290
  185   2HZ   LYS  23          2HZ       LYS  23   6.501   4.038  -1.102
  186   3HZ   LYS  23          3HZ       LYS  23   6.630   3.506  -2.706
  187    H    THR  24           H        THR  24   6.763  -0.397   1.776
  188    HA   THR  24           HA       THR  24   8.981  -2.050   2.768
  189    HB   THR  24           HB       THR  24   8.354  -1.041   5.038
  190    HG1  THR  24           HG1      THR  24   6.113  -0.588   3.597
  191   1HG2  THR  24          1HG2      THR  24   9.866   0.295   3.447
  192   2HG2  THR  24          2HG2      THR  24   8.852   1.315   4.454
  193   3HG2  THR  24          3HG2      THR  24   8.427   1.040   2.774
  194    H    LYS  25           H        LYS  25   5.510  -2.285   2.991
  195    HA   LYS  25           HA       LYS  25   5.782  -4.713   4.689
  196   1HB   LYS  25          1HB       LYS  25   3.434  -2.953   3.931
  197   2HB   LYS  25          2HB       LYS  25   3.165  -4.550   4.612
  198   1HG   LYS  25          2HG       LYS  25   3.148  -2.885   6.412
  199   2HG   LYS  25          1HG       LYS  25   4.523  -3.947   6.607
  200   1HD   LYS  25          2HD       LYS  25   6.013  -2.250   5.602
  201   2HD   LYS  25          1HD       LYS  25   4.642  -1.181   5.332
  202   1HE   LYS  25          2HE       LYS  25   4.345  -1.015   7.793
  203   2HE   LYS  25          1HE       LYS  25   5.664  -2.161   8.040
  204   1HZ   LYS  25          1HZ       LYS  25   6.513  -0.161   6.296
  205   2HZ   LYS  25          2HZ       LYS  25   7.098  -0.517   7.858
  206   3HZ   LYS  25          3HZ       LYS  25   5.830   0.601   7.653
  207    H    HIS  26           H        HIS  26   5.391  -4.030   1.376
  208    HA   HIS  26           HA       HIS  26   4.567  -6.856   0.852
  209   1HB   HIS  26          1HB       HIS  26   3.929  -4.353  -0.783
  210   2HB   HIS  26          2HB       HIS  26   3.529  -5.997  -1.248
  211    HD1  HIS  26           HD1      HIS  26   2.367  -7.165   1.186
  212    HD2  HIS  26           HD2      HIS  26   1.591  -3.265   0.250
  213    HE1  HIS  26           HE1      HIS  26   0.286  -6.567   2.378
  214    H    SER  27           H        SER  27   6.565  -4.170   0.009
  215    HA   SER  27           HA       SER  27   8.393  -3.917  -1.435
  216   1HB   SER  27          2HB       SER  27  10.230  -5.551  -0.819
  217   2HB   SER  27          1HB       SER  27   9.366  -4.970   0.604
  218    HG   SER  27           HG       SER  27   9.527  -7.490  -0.338
  219    H    LYS  28           H        LYS  28   7.062  -4.165  -3.212
  220    HA   LYS  28           HA       LYS  28   6.115  -5.428  -5.075
  221   1HB   LYS  28          1HB       LYS  28   8.979  -4.694  -5.809
  222   2HB   LYS  28          2HB       LYS  28   7.563  -4.694  -6.850
  223   1HG   LYS  28          2HG       LYS  28   8.074  -2.848  -4.479
  224   2HG   LYS  28          1HG       LYS  28   8.255  -2.438  -6.164
  225   1HD   LYS  28          2HD       LYS  28   5.826  -2.743  -6.545
  226   2HD   LYS  28          1HD       LYS  28   5.605  -3.250  -4.878
  227   1HE   LYS  28          2HE       LYS  28   5.037  -0.848  -5.136
  228   2HE   LYS  28          1HE       LYS  28   6.432  -1.031  -4.084
  229   1HZ   LYS  28          1HZ       LYS  28   7.335  -0.837  -6.729
  230   2HZ   LYS  28          2HZ       LYS  28   7.592   0.228  -5.433
  231   3HZ   LYS  28          3HZ       LYS  28   6.240   0.427  -6.442
  232    H    GLU  29           H        GLU  29   9.399  -6.354  -5.620
  233    HA   GLU  29           HA       GLU  29   8.710  -9.252  -5.491
  234   1HB   GLU  29          1HB       GLU  29   8.445  -8.481  -7.845
  235   2HB   GLU  29          2HB       GLU  29  10.045  -7.775  -7.826
  236   1HG   GLU  29          2HG       GLU  29   9.848 -10.041  -8.993
  237   2HG   GLU  29          1HG       GLU  29  11.097  -9.983  -7.781
  238    H    LYS  30           H        LYS  30   9.937  -7.936  -3.532
  239    HA   LYS  30           HA       LYS  30  12.802  -8.794  -3.670
  240   1HB   LYS  30          1HB       LYS  30  11.609  -6.557  -1.979
  241   2HB   LYS  30          2HB       LYS  30  13.313  -6.986  -2.082
  242   1HG   LYS  30          2HG       LYS  30  13.359  -6.255  -4.446
  243   2HG   LYS  30          1HG       LYS  30  11.639  -5.900  -4.385
  244   1HD   LYS  30          2HD       LYS  30  12.012  -4.272  -2.547
  245   2HD   LYS  30          1HD       LYS  30  13.735  -4.593  -2.587
  246   1HE   LYS  30          2HE       LYS  30  12.139  -3.467  -4.930
  247   2HE   LYS  30          1HE       LYS  30  13.123  -2.515  -3.827
  248   1HZ   LYS  30          1HZ       LYS  30  13.925  -3.904  -6.101
  249   2HZ   LYS  30          2HZ       LYS  30  14.672  -4.634  -4.762
  250   3HZ   LYS  30          3HZ       LYS  30  14.870  -2.972  -5.040
  Start of MODEL    2
    1   1H    LYS   1          1H        LYS   1 -12.122  12.433  -2.701
    2   2H    LYS   1          2H        LYS   1 -10.697  12.696  -3.592
    3   3H    LYS   1          3H        LYS   1 -10.606  12.206  -1.972
    4    HA   LYS   1           HA       LYS   1 -12.184  10.334  -3.300
    5   1HB   LYS   1          2HB       LYS   1 -10.913  11.405  -5.298
    6   2HB   LYS   1          1HB       LYS   1  -9.458  10.696  -4.633
    7   1HG   LYS   1          2HG       LYS   1 -10.511   8.414  -4.786
    8   2HG   LYS   1          1HG       LYS   1 -11.948   9.141  -5.475
    9   1HD   LYS   1          2HD       LYS   1  -9.145   9.216  -6.689
   10   2HD   LYS   1          1HD       LYS   1 -10.453   8.179  -7.219
   11   1HE   LYS   1          2HE       LYS   1 -11.815  10.176  -7.847
   12   2HE   LYS   1          1HE       LYS   1 -10.496  11.229  -7.352
   13   1HZ   LYS   1          1HZ       LYS   1  -9.451   9.307  -9.074
   14   2HZ   LYS   1          2HZ       LYS   1  -9.595  10.983  -9.307
   15   3HZ   LYS   1          3HZ       LYS   1 -10.851   9.950  -9.791
   16    H    THR   2           H        THR   2 -11.026   8.154  -3.040
   17    HA   THR   2           HA       THR   2  -9.112   8.265  -0.728
   18    HB   THR   2           HB       THR   2 -11.190   6.064  -1.230
   19    HG1  THR   2           HG1      THR   2 -11.394   8.624  -0.285
   20   1HG2  THR   2          1HG2      THR   2 -10.857   5.639   1.190
   21   2HG2  THR   2          2HG2      THR   2  -9.727   6.979   1.307
   22   3HG2  THR   2          3HG2      THR   2  -9.293   5.531   0.414
   23    H    TYR   3           H        TYR   3  -7.835   6.351  -0.499
   24    HA   TYR   3           HA       TYR   3  -7.096   4.970  -3.037
   25   1HB   TYR   3          1HB       TYR   3  -5.143   6.148  -0.991
   26   2HB   TYR   3          2HB       TYR   3  -4.685   5.239  -2.424
   27    HD1  TYR   3           HD1      TYR   3  -6.558   8.344  -1.404
   28    HD2  TYR   3           HD2      TYR   3  -4.243   6.407  -4.416
   29    HE1  TYR   3           HE1      TYR   3  -6.508  10.417  -2.706
   30    HE2  TYR   3           HE2      TYR   3  -4.199   8.488  -5.708
   31    HH   TYR   3           HH       TYR   3  -4.929  10.553  -5.881
   32    H    GLN   4           H        GLN   4  -6.405   2.819  -2.722
   33    HA   GLN   4           HA       GLN   4  -6.305   1.809   0.090
   34   1HB   GLN   4          1HB       GLN   4  -8.638   1.516  -1.040
   35   2HB   GLN   4          2HB       GLN   4  -7.856   0.355  -2.102
   36   1HG   GLN   4          2HG       GLN   4  -7.171  -0.985  -0.096
   37   2HG   GLN   4          1HG       GLN   4  -7.951   0.194   0.949
   38   1HE2  GLN   4          2HE2      GLN   4  -8.444  -2.792  -0.216
   39   2HE2  GLN   4          1HE2      GLN   4 -10.135  -2.793  -0.371
   40    H    CYS   5           H        CYS   5  -5.371  -0.401   0.139
   41    HA   CYS   5           HA       CYS   5  -2.996  -0.540  -1.585
   42   1HB   CYS   5          1HB       CYS   5  -2.799  -1.034   0.804
   43   2HB   CYS   5          2HB       CYS   5  -3.982  -2.336   0.656
   44    H    GLN   6           H        GLN   6  -2.381  -2.531  -2.703
   45    HA   GLN   6           HA       GLN   6  -4.757  -4.025  -3.776
   46   1HB   GLN   6          1HB       GLN   6  -2.195  -3.641  -5.366
   47   2HB   GLN   6          2HB       GLN   6  -3.789  -4.038  -5.948
   48   1HG   GLN   6          2HG       GLN   6  -3.508  -1.796  -6.619
   49   2HG   GLN   6          1HG       GLN   6  -4.478  -1.637  -5.163
   50   1HE2  GLN   6          1HE2      GLN   6  -3.641   0.075  -3.853
   51   2HE2  GLN   6          2HE2      GLN   6  -1.994   0.430  -3.710
   52    H    TYR   7           H        TYR   7  -2.992  -4.635  -1.505
   53    HA   TYR   7           HA       TYR   7  -2.043  -7.322  -2.406
   54   1HB   TYR   7          1HB       TYR   7  -0.603  -5.408  -0.530
   55   2HB   TYR   7          2HB       TYR   7  -0.078  -7.055  -0.861
   56    HD1  TYR   7           HD1      TYR   7   0.035  -7.599  -3.529
   57    HD2  TYR   7           HD2      TYR   7   0.408  -3.715  -1.816
   58    HE1  TYR   7           HE1      TYR   7   1.190  -6.827  -5.535
   59    HE2  TYR   7           HE2      TYR   7   1.569  -2.952  -3.834
   60    HH   TYR   7           HH       TYR   7   1.947  -5.025  -6.653
   61    H    CYS   8           H        CYS   8  -2.630  -5.376   0.518
   62    HA   CYS   8           HA       CYS   8  -3.837  -7.781   1.805
   63   1HB   CYS   8          1HB       CYS   8  -3.165  -6.704   3.917
   64   2HB   CYS   8          2HB       CYS   8  -1.795  -6.955   2.875
   65    H    GLU   9           H        GLU   9  -4.405  -4.936   3.452
   66    HA   GLU   9           HA       GLU   9  -6.751  -4.049   1.948
   67   1HB   GLU   9          1HB       GLU   9  -8.322  -4.643   3.944
   68   2HB   GLU   9          2HB       GLU   9  -7.794  -5.964   2.938
   69   1HG   GLU   9          2HG       GLU   9  -7.631  -6.594   5.315
   70   2HG   GLU   9          1HG       GLU   9  -6.037  -6.572   4.592
   71    H    LEU  10           H        LEU  10  -4.505  -2.589   2.714
   72    HA   LEU  10           HA       LEU  10  -5.333  -1.022   5.105
   73   1HB   LEU  10          1HB       LEU  10  -2.941  -1.584   4.793
   74   2HB   LEU  10          2HB       LEU  10  -2.920  -0.745   3.247
   75    HG   LEU  10           HG       LEU  10  -3.889   0.830   5.642
   76   1HD1  LEU  10          1HD1      LEU  10  -1.551   1.351   6.307
   77   2HD1  LEU  10          2HD1      LEU  10  -0.948   0.208   5.120
   78   3HD1  LEU  10          3HD1      LEU  10  -1.868  -0.364   6.499
   79   1HD2  LEU  10          1HD2      LEU  10  -2.653   2.647   4.467
   80   2HD2  LEU  10          2HD2      LEU  10  -3.733   1.869   3.328
   81   3HD2  LEU  10          3HD2      LEU  10  -2.029   1.488   3.300
   82    H    ARG  11           H        ARG  11  -5.922   1.124   4.961
   83    HA   ARG  11           HA       ARG  11  -6.715   2.136   2.259
   84   1HB   ARG  11          1HB       ARG  11  -8.794   2.921   3.266
   85   2HB   ARG  11          2HB       ARG  11  -8.595   1.220   3.622
   86   1HG   ARG  11          2HG       ARG  11  -7.327   2.351   5.819
   87   2HG   ARG  11          1HG       ARG  11  -8.531   3.573   5.470
   88   1HD   ARG  11          2HD       ARG  11  -9.522   2.034   7.031
   89   2HD   ARG  11          1HD       ARG  11 -10.265   1.680   5.482
   90    HE   ARG  11           HE       ARG  11  -8.714  -0.245   5.241
   91   1HH1  ARG  11          1HH1      ARG  11  -9.339   1.006   8.429
   92   2HH1  ARG  11          2HH1      ARG  11  -8.600  -0.351   9.198
   93   1HH2  ARG  11          2HH2      ARG  11  -7.634  -1.872   6.236
   94   2HH2  ARG  11          1HH2      ARG  11  -7.622  -1.976   7.961
   95    H    SER  12           H        SER  12  -6.431   4.256   1.849
   96    HA   SER  12           HA       SER  12  -5.361   6.094   3.906
   97   1HB   SER  12          2HB       SER  12  -3.366   5.093   2.748
   98   2HB   SER  12          1HB       SER  12  -4.041   5.590   1.186
   99    HG   SER  12           HG       SER  12  -2.852   7.102   3.144
  100    H    ALA  13           H        ALA  13  -5.259   8.330   3.003
  101    HA   ALA  13           HA       ALA  13  -7.520   8.867   1.103
  102   1HB   ALA  13          1HB       ALA  13  -7.927  10.918   2.431
  103   2HB   ALA  13          2HB       ALA  13  -6.599  10.494   3.509
  104   3HB   ALA  13          3HB       ALA  13  -8.039   9.492   3.452
  105    H    ASP  14           H        ASP  14  -4.306   8.805   1.372
  106    HA   ASP  14           HA       ASP  14  -3.884  11.142  -0.439
  107   1HB   ASP  14          1HB       ASP  14  -1.849  10.032   1.531
  108   2HB   ASP  14          2HB       ASP  14  -1.739  11.534   0.636
  109    H    SER  15           H        SER  15  -1.469  10.733  -1.278
  110    HA   SER  15           HA       SER  15  -1.530   8.102  -2.691
  111   1HB   SER  15          2HB       SER  15  -0.198   9.325  -4.468
  112   2HB   SER  15          1HB       SER  15  -1.714  10.169  -4.131
  113    HG   SER  15           HG       SER  15  -0.616  11.774  -3.430
  114    H    SER  16           H        SER  16   0.607  10.538  -1.246
  115    HA   SER  16           HA       SER  16   3.072   9.333  -1.191
  116   1HB   SER  16          2HB       SER  16   3.351  10.595   1.078
  117   2HB   SER  16          1HB       SER  16   2.728  11.575  -0.253
  118    HG   SER  16           HG       SER  16   0.951  11.773   0.807
  119    H    ASN  17           H        ASN  17   0.794   9.027   1.428
  120    HA   ASN  17           HA       ASN  17   1.922   7.113   3.066
  121   1HB   ASN  17          1HB       ASN  17  -1.014   7.439   2.336
  122   2HB   ASN  17          2HB       ASN  17  -0.459   6.573   3.763
  123   1HD2  ASN  17          1HD2      ASN  17  -0.277   7.854   5.639
  124   2HD2  ASN  17          2HD2      ASN  17  -0.166   9.547   5.633
  125    H    LEU  18           H        LEU  18  -0.186   6.478   0.315
  126    HA   LEU  18           HA       LEU  18  -0.101   3.636   0.524
  127   1HB   LEU  18          1HB       LEU  18  -1.816   5.034  -0.776
  128   2HB   LEU  18          2HB       LEU  18  -0.568   5.438  -1.949
  129    HG   LEU  18           HG       LEU  18  -2.210   3.710  -2.692
  130   1HD1  LEU  18          1HD1      LEU  18   0.703   2.838  -2.692
  131   2HD1  LEU  18          2HD1      LEU  18  -0.091   3.874  -3.851
  132   3HD1  LEU  18          3HD1      LEU  18  -0.548   2.188  -3.716
  133   1HD2  LEU  18          1HD2      LEU  18  -1.993   1.402  -1.859
  134   2HD2  LEU  18          2HD2      LEU  18  -2.542   2.493  -0.604
  135   3HD2  LEU  18          3HD2      LEU  18  -0.882   1.928  -0.607
  136    H    LYS  19           H        LYS  19   1.639   5.711  -1.770
  137    HA   LYS  19           HA       LYS  19   3.271   3.882  -3.022
  138   1HB   LYS  19          1HB       LYS  19   3.700   6.732  -2.146
  139   2HB   LYS  19          2HB       LYS  19   5.133   5.865  -2.655
  140   1HG   LYS  19          2HG       LYS  19   4.197   7.024  -4.559
  141   2HG   LYS  19          1HG       LYS  19   4.001   5.300  -4.806
  142   1HD   LYS  19          2HD       LYS  19   1.610   5.499  -4.021
  143   2HD   LYS  19          1HD       LYS  19   1.848   7.233  -3.861
  144   1HE   LYS  19          2HE       LYS  19   2.441   7.369  -6.288
  145   2HE   LYS  19          1HE       LYS  19   2.124   5.648  -6.443
  146   1HZ   LYS  19          1HZ       LYS  19  -0.073   6.832  -5.190
  147   2HZ   LYS  19          2HZ       LYS  19   0.009   6.088  -6.716
  148   3HZ   LYS  19          3HZ       LYS  19   0.320   7.748  -6.568
  149    H    THR  20           H        THR  20   4.082   5.397   0.074
  150    HA   THR  20           HA       THR  20   6.432   3.824   0.533
  151    HB   THR  20           HB       THR  20   6.210   4.624   2.958
  152    HG1  THR  20           HG1      THR  20   3.665   4.863   2.092
  153   1HG2  THR  20          1HG2      THR  20   6.256   7.052   2.488
  154   2HG2  THR  20          2HG2      THR  20   5.472   6.810   0.932
  155   3HG2  THR  20          3HG2      THR  20   7.113   6.235   1.192
  156    H    HIS  21           H        HIS  21   3.087   3.380   1.884
  157    HA   HIS  21           HA       HIS  21   3.390   1.242   3.501
  158   1HB   HIS  21          1HB       HIS  21   1.170   2.127   3.069
  159   2HB   HIS  21          2HB       HIS  21   1.228   1.665   1.382
  160    HD1  HIS  21           HD1      HIS  21   1.360  -0.106   4.714
  161    HD2  HIS  21           HD2      HIS  21   0.184  -0.833   0.874
  162    HE1  HIS  21           HE1      HIS  21   0.334  -2.360   4.709
  163    H    ILE  22           H        ILE  22   2.912   0.863   0.044
  164    HA   ILE  22           HA       ILE  22   3.289  -1.945  -0.101
  165    HB   ILE  22           HB       ILE  22   3.686   0.247  -2.182
  166   1HG1  ILE  22          2HG1      ILE  22   1.627  -0.880  -3.228
  167   2HG1  ILE  22          1HG1      ILE  22   1.491  -1.817  -1.753
  168   1HG2  ILE  22          1HG2      ILE  22   3.802  -1.507  -3.939
  169   2HG2  ILE  22          2HG2      ILE  22   3.828  -2.760  -2.705
  170   3HG2  ILE  22          3HG2      ILE  22   5.169  -1.636  -2.856
  171   1HD1  ILE  22          1HD       ILE  22   1.450   1.181  -1.931
  172   2HD1  ILE  22          2HD       ILE  22   1.210   0.269  -0.457
  173   3HD1  ILE  22          3HD       ILE  22   0.033   0.160  -1.747
  174    H    LYS  23           H        LYS  23   5.669   0.507  -1.096
  175    HA   LYS  23           HA       LYS  23   7.835  -1.079  -1.582
  176   1HB   LYS  23          1HB       LYS  23   7.768   1.397  -1.820
  177   2HB   LYS  23          2HB       LYS  23   7.982   1.575  -0.084
  178   1HG   LYS  23          2HG       LYS  23  10.170   0.609  -0.141
  179   2HG   LYS  23          1HG       LYS  23   9.901  -0.134  -1.709
  180   1HD   LYS  23          2HD       LYS  23   9.838   2.152  -2.746
  181   2HD   LYS  23          1HD       LYS  23  10.186   2.844  -1.168
  182   1HE   LYS  23          2HE       LYS  23  12.333   1.686  -1.057
  183   2HE   LYS  23          1HE       LYS  23  11.985   0.775  -2.520
  184   1HZ   LYS  23          1HZ       LYS  23  11.691   3.499  -3.076
  185   2HZ   LYS  23          2HZ       LYS  23  12.827   2.402  -3.698
  186   3HZ   LYS  23          3HZ       LYS  23  13.177   3.275  -2.285
  187    H    THR  24           H        THR  24   6.723  -0.157   1.604
  188    HA   THR  24           HA       THR  24   8.961  -1.414   2.956
  189    HB   THR  24           HB       THR  24   6.429  -0.140   4.092
  190    HG1  THR  24           HG1      THR  24   8.662   0.733   2.894
  191   1HG2  THR  24          1HG2      THR  24   9.157  -0.711   5.403
  192   2HG2  THR  24          2HG2      THR  24   7.704  -1.626   5.773
  193   3HG2  THR  24          3HG2      THR  24   7.788   0.078   6.169
  194    H    LYS  25           H        LYS  25   5.542  -2.103   3.212
  195    HA   LYS  25           HA       LYS  25   6.161  -4.636   4.573
  196   1HB   LYS  25          1HB       LYS  25   3.571  -3.204   3.963
  197   2HB   LYS  25          2HB       LYS  25   3.599  -4.790   4.719
  198   1HG   LYS  25          2HG       LYS  25   5.119  -3.847   6.497
  199   2HG   LYS  25          1HG       LYS  25   4.922  -2.263   5.765
  200   1HD   LYS  25          2HD       LYS  25   2.518  -2.272   6.187
  201   2HD   LYS  25          1HD       LYS  25   2.560  -3.947   6.714
  202   1HE   LYS  25          2HE       LYS  25   4.016  -1.677   8.134
  203   2HE   LYS  25          1HE       LYS  25   2.482  -2.367   8.646
  204   1HZ   LYS  25          1HZ       LYS  25   3.568  -3.946   9.686
  205   2HZ   LYS  25          2HZ       LYS  25   5.057  -3.293   9.188
  206   3HZ   LYS  25          3HZ       LYS  25   4.277  -4.462   8.235
  207    H    HIS  26           H        HIS  26   5.819  -3.935   1.319
  208    HA   HIS  26           HA       HIS  26   5.002  -6.776   0.806
  209   1HB   HIS  26          1HB       HIS  26   4.264  -4.304  -0.812
  210   2HB   HIS  26          2HB       HIS  26   3.935  -5.958  -1.307
  211    HD1  HIS  26           HD1      HIS  26   2.778  -7.164   1.138
  212    HD2  HIS  26           HD2      HIS  26   1.851  -3.321   0.115
  213    HE1  HIS  26           HE1      HIS  26   0.635  -6.642   2.253
  214    H    SER  27           H        SER  27   7.012  -4.110  -0.220
  215    HA   SER  27           HA       SER  27   8.462  -5.952  -2.076
  216   1HB   SER  27          2HB       SER  27   8.448  -2.929  -2.070
  217   2HB   SER  27          1HB       SER  27   9.215  -3.969  -3.275
  218    HG   SER  27           HG       SER  27   7.330  -4.155  -4.135
  219    H    LYS  28           H        LYS  28   9.173  -4.218   0.871
  220    HA   LYS  28           HA       LYS  28  12.076  -4.706   0.346
  221   1HB   LYS  28          1HB       LYS  28  11.448  -2.348   0.628
  222   2HB   LYS  28          2HB       LYS  28  10.867  -2.703   2.254
  223   1HG   LYS  28          2HG       LYS  28  13.186  -3.473   2.861
  224   2HG   LYS  28          1HG       LYS  28  13.720  -3.099   1.233
  225   1HD   LYS  28          2HD       LYS  28  13.077  -0.693   1.602
  226   2HD   LYS  28          1HD       LYS  28  12.582  -1.103   3.233
  227   1HE   LYS  28          2HE       LYS  28  15.407  -1.497   2.145
  228   2HE   LYS  28          1HE       LYS  28  14.902  -0.167   3.177
  229   1HZ   LYS  28          1HZ       LYS  28  15.718  -2.723   3.921
  230   2HZ   LYS  28          2HZ       LYS  28  14.092  -2.557   4.367
  231   3HZ   LYS  28          3HZ       LYS  28  15.241  -1.438   4.920
  232    H    GLU  29           H        GLU  29   9.831  -4.722   3.022
  233    HA   GLU  29           HA       GLU  29  11.712  -6.273   4.665
  234   1HB   GLU  29          1HB       GLU  29  10.277  -4.453   5.594
  235   2HB   GLU  29          2HB       GLU  29   8.845  -5.393   5.234
  236   1HG   GLU  29          2HG       GLU  29   9.653  -7.200   6.780
  237   2HG   GLU  29          1HG       GLU  29  11.104  -6.261   7.099
  238    H    LYS  30           H        LYS  30  11.784  -7.848   3.093
  239    HA   LYS  30           HA       LYS  30   9.623  -9.919   3.170
  240   1HB   LYS  30          1HB       LYS  30  11.801  -9.370   1.108
  241   2HB   LYS  30          2HB       LYS  30  10.661 -10.717   1.029
  242   1HG   LYS  30          2HG       LYS  30   8.774  -9.182   0.799
  243   2HG   LYS  30          1HG       LYS  30   9.792  -7.796   1.126
  244   1HD   LYS  30          2HD       LYS  30   9.313  -7.962  -1.284
  245   2HD   LYS  30          1HD       LYS  30  11.025  -8.114  -0.973
  246   1HE   LYS  30          2HE       LYS  30   9.245 -10.555  -1.307
  247   2HE   LYS  30          1HE       LYS  30   9.999  -9.758  -2.677
  248   1HZ   LYS  30          1HZ       LYS  30  11.835 -10.856  -2.259
  249   2HZ   LYS  30          2HZ       LYS  30  11.121 -11.609  -0.917
  250   3HZ   LYS  30          3HZ       LYS  30  11.955 -10.142  -0.725
  Start of MODEL    3
    1   1H    LYS   1          1H        LYS   1 -13.068   6.061  -5.229
    2   2H    LYS   1          2H        LYS   1 -11.465   6.636  -5.233
    3   3H    LYS   1          3H        LYS   1 -12.608   7.299  -6.298
    4    HA   LYS   1           HA       LYS   1 -13.132   8.828  -4.822
    5   1HB   LYS   1          2HB       LYS   1 -14.776   7.011  -4.074
    6   2HB   LYS   1          1HB       LYS   1 -13.625   6.546  -2.840
    7   1HG   LYS   1          2HG       LYS   1 -13.722   8.970  -1.992
    8   2HG   LYS   1          1HG       LYS   1 -15.005   9.248  -3.145
    9   1HD   LYS   1          2HD       LYS   1 -16.458   8.553  -1.555
   10   2HD   LYS   1          1HD       LYS   1 -15.881   6.927  -1.836
   11   1HE   LYS   1          2HE       LYS   1 -14.765   8.871   0.228
   12   2HE   LYS   1          1HE       LYS   1 -15.744   7.450   0.566
   13   1HZ   LYS   1          1HZ       LYS   1 -12.974   7.609   0.283
   14   2HZ   LYS   1          2HZ       LYS   1 -13.558   6.654  -0.992
   15   3HZ   LYS   1          3HZ       LYS   1 -13.922   6.241   0.611
   16    H    THR   2           H        THR   2 -11.567   6.272  -2.986
   17    HA   THR   2           HA       THR   2  -9.527   8.185  -1.921
   18    HB   THR   2           HB       THR   2 -11.108   7.281  -0.160
   19    HG1  THR   2           HG1      THR   2  -8.900   5.918   0.555
   20   1HG2  THR   2          1HG2      THR   2 -11.562   5.016  -1.212
   21   2HG2  THR   2          2HG2      THR   2 -11.005   4.856   0.441
   22   3HG2  THR   2          3HG2      THR   2  -9.898   4.553  -0.888
   23    H    TYR   3           H        TYR   3  -7.839   6.323  -0.950
   24    HA   TYR   3           HA       TYR   3  -6.902   4.790  -3.357
   25   1HB   TYR   3          1HB       TYR   3  -5.300   6.405  -1.321
   26   2HB   TYR   3          2HB       TYR   3  -4.568   5.267  -2.436
   27    HD1  TYR   3           HD1      TYR   3  -6.856   8.258  -2.454
   28    HD2  TYR   3           HD2      TYR   3  -3.987   5.941  -4.574
   29    HE1  TYR   3           HE1      TYR   3  -6.846   9.924  -4.257
   30    HE2  TYR   3           HE2      TYR   3  -3.979   7.594  -6.371
   31    HH   TYR   3           HH       TYR   3  -6.224  10.267  -6.462
   32    H    GLN   4           H        GLN   4  -7.008   2.733  -3.030
   33    HA   GLN   4           HA       GLN   4  -6.622   1.605  -0.277
   34   1HB   GLN   4          1HB       GLN   4  -8.929   1.449  -1.521
   35   2HB   GLN   4          2HB       GLN   4  -8.148   0.309  -2.601
   36   1HG   GLN   4          2HG       GLN   4  -8.186  -0.058   0.417
   37   2HG   GLN   4          1HG       GLN   4  -9.483  -0.635  -0.601
   38   1HE2  GLN   4          1HE2      GLN   4  -6.460  -1.403   0.680
   39   2HE2  GLN   4          2HE2      GLN   4  -6.159  -2.812  -0.225
   40    H    CYS   5           H        CYS   5  -5.393  -0.311  -0.215
   41    HA   CYS   5           HA       CYS   5  -3.053  -0.317  -1.876
   42   1HB   CYS   5          1HB       CYS   5  -2.904  -0.804   0.438
   43   2HB   CYS   5          2HB       CYS   5  -3.982  -2.189   0.276
   44    H    GLN   6           H        GLN   6  -5.525  -2.836  -1.544
   45    HA   GLN   6           HA       GLN   6  -6.254  -4.520  -2.939
   46   1HB   GLN   6          1HB       GLN   6  -4.725  -2.835  -4.984
   47   2HB   GLN   6          2HB       GLN   6  -5.062  -4.481  -5.420
   48   1HG   GLN   6          2HG       GLN   6  -6.891  -3.224  -6.248
   49   2HG   GLN   6          1HG       GLN   6  -7.491  -4.077  -4.845
   50   1HE2  GLN   6          2HE2      GLN   6  -5.505  -1.386  -3.957
   51   2HE2  GLN   6          1HE2      GLN   6  -6.771  -0.305  -3.629
   52    H    TYR   7           H        TYR   7  -3.602  -4.553  -1.404
   53    HA   TYR   7           HA       TYR   7  -2.516  -7.089  -2.594
   54   1HB   TYR   7          1HB       TYR   7  -1.001  -5.004  -0.961
   55   2HB   TYR   7          2HB       TYR   7  -0.352  -6.556  -1.475
   56    HD1  TYR   7           HD1      TYR   7  -1.239  -6.747  -4.301
   57    HD2  TYR   7           HD2      TYR   7   0.222  -3.389  -2.116
   58    HE1  TYR   7           HE1      TYR   7  -0.431  -5.741  -6.373
   59    HE2  TYR   7           HE2      TYR   7   1.031  -2.394  -4.192
   60    HH   TYR   7           HH       TYR   7   1.392  -2.707  -6.372
   61    H    CYS   8           H        CYS   8  -2.874  -5.245   0.364
   62    HA   CYS   8           HA       CYS   8  -3.172  -7.776   1.947
   63   1HB   CYS   8          1HB       CYS   8  -2.584  -6.397   3.905
   64   2HB   CYS   8          2HB       CYS   8  -1.309  -6.409   2.733
   65    H    GLU   9           H        GLU   9  -4.174  -4.499   1.648
   66    HA   GLU   9           HA       GLU   9  -6.479  -3.843   1.244
   67   1HB   GLU   9          1HB       GLU   9  -7.466  -6.085   2.027
   68   2HB   GLU   9          2HB       GLU   9  -7.175  -5.572   3.684
   69   1HG   GLU   9          2HG       GLU   9  -9.523  -5.130   2.991
   70   2HG   GLU   9          1HG       GLU   9  -8.713  -3.624   3.352
   71    H    LEU  10           H        LEU  10  -4.821  -2.234   1.943
   72    HA   LEU  10           HA       LEU  10  -5.302  -1.197   4.718
   73   1HB   LEU  10          1HB       LEU  10  -2.891  -1.594   3.901
   74   2HB   LEU  10          2HB       LEU  10  -3.178  -0.338   2.695
   75    HG   LEU  10           HG       LEU  10  -3.822   1.192   4.743
   76   1HD1  LEU  10          1HD1      LEU  10  -3.924  -0.675   6.423
   77   2HD1  LEU  10          2HD1      LEU  10  -2.744   0.544   6.869
   78   3HD1  LEU  10          3HD1      LEU  10  -2.214  -0.971   6.165
   79   1HD2  LEU  10          1HD2      LEU  10  -1.481   1.817   5.081
   80   2HD2  LEU  10          2HD2      LEU  10  -1.767   1.472   3.387
   81   3HD2  LEU  10          3HD2      LEU  10  -0.970   0.278   4.407
   82    H    ARG  11           H        ARG  11  -5.749   1.105   4.839
   83    HA   ARG  11           HA       ARG  11  -7.090   2.238   2.416
   84   1HB   ARG  11          1HB       ARG  11  -8.738   1.616   4.115
   85   2HB   ARG  11          2HB       ARG  11  -7.806   2.418   5.367
   86   1HG   ARG  11          2HG       ARG  11  -8.225   4.628   4.271
   87   2HG   ARG  11          1HG       ARG  11  -9.121   3.819   2.997
   88   1HD   ARG  11          2HD       ARG  11 -10.849   3.120   4.581
   89   2HD   ARG  11          1HD       ARG  11  -9.875   3.630   5.958
   90    HE   ARG  11           HE       ARG  11 -10.121   5.978   5.114
   91   1HH1  ARG  11          1HH2      ARG  11 -11.216   5.474   2.444
   92   2HH1  ARG  11          2HH2      ARG  11 -12.921   5.691   2.662
   93   1HH2  ARG  11          2HH1      ARG  11 -12.705   5.384   6.152
   94   2HH2  ARG  11          1HH1      ARG  11 -13.789   5.641   4.827
   95    H    SER  12           H        SER  12  -6.045   3.975   1.669
   96    HA   SER  12           HA       SER  12  -4.545   5.711   3.561
   97   1HB   SER  12          2HB       SER  12  -2.896   4.577   2.213
   98   2HB   SER  12          1HB       SER  12  -3.795   4.848   0.715
   99    HG   SER  12           HG       SER  12  -1.985   6.358   1.810
  100    H    ALA  13           H        ALA  13  -4.493   7.755   3.216
  101    HA   ALA  13           HA       ALA  13  -6.261   9.117   1.247
  102   1HB   ALA  13          1HB       ALA  13  -6.089   9.711   4.264
  103   2HB   ALA  13          2HB       ALA  13  -7.481   8.987   3.474
  104   3HB   ALA  13          3HB       ALA  13  -7.016  10.639   3.096
  105    H    ASP  14           H        ASP  14  -2.945  10.515   0.957
  106    HA   ASP  14           HA       ASP  14  -4.781   8.444  -0.102
  107   1HB   ASP  14          1HB       ASP  14  -4.824   9.856  -2.254
  108   2HB   ASP  14          2HB       ASP  14  -5.646  10.571  -0.883
  109    H    SER  15           H        SER  15  -3.494   8.673  -2.667
  110    HA   SER  15           HA       SER  15  -1.637   6.817  -2.902
  111   1HB   SER  15          2HB       SER  15  -2.289   8.238  -4.808
  112   2HB   SER  15          1HB       SER  15  -1.373   9.597  -4.151
  113    HG   SER  15           HG       SER  15  -0.521   7.572  -5.643
  114    H    SER  16           H        SER  16  -0.684  10.071  -2.109
  115    HA   SER  16           HA       SER  16   1.961  10.178  -1.774
  116   1HB   SER  16          2HB       SER  16  -0.051  11.282   0.234
  117   2HB   SER  16          1HB       SER  16   1.595  11.893  -0.060
  118    HG   SER  16           HG       SER  16  -0.646  11.887  -1.705
  119    H    ASN  17           H        ASN  17  -0.101   8.609   0.567
  120    HA   ASN  17           HA       ASN  17   2.190   7.912   2.319
  121   1HB   ASN  17          1HB       ASN  17  -0.822   7.535   2.621
  122   2HB   ASN  17          2HB       ASN  17   0.356   7.127   3.857
  123   1HD2  ASN  17          2HD2      ASN  17   1.792   9.808   2.658
  124   2HD2  ASN  17          1HD2      ASN  17   0.989  11.008   3.551
  125    H    LEU  18           H        LEU  18  -0.490   6.359   0.631
  126    HA   LEU  18           HA       LEU  18  -0.033   3.680   1.007
  127   1HB   LEU  18          1HB       LEU  18  -1.703   5.072  -0.546
  128   2HB   LEU  18          2HB       LEU  18  -0.545   4.701  -1.815
  129    HG   LEU  18           HG       LEU  18  -1.931   2.616  -0.065
  130   1HD1  LEU  18          1HD1      LEU  18  -2.585   3.557  -2.886
  131   2HD1  LEU  18          2HD1      LEU  18  -3.546   3.821  -1.435
  132   3HD1  LEU  18          3HD1      LEU  18  -3.329   2.199  -2.051
  133   1HD2  LEU  18          1HD2      LEU  18  -1.203   1.011  -1.807
  134   2HD2  LEU  18          2HD2      LEU  18   0.174   1.797  -1.074
  135   3HD2  LEU  18          3HD2      LEU  18  -0.370   2.298  -2.664
  136    H    LYS  19           H        LYS  19   1.682   5.672  -1.330
  137    HA   LYS  19           HA       LYS  19   3.322   3.871  -2.629
  138   1HB   LYS  19          1HB       LYS  19   4.023   6.647  -1.555
  139   2HB   LYS  19          2HB       LYS  19   5.026   5.795  -2.715
  140   1HG   LYS  19          2HG       LYS  19   2.069   6.314  -3.226
  141   2HG   LYS  19          1HG       LYS  19   3.304   7.464  -3.677
  142   1HD   LYS  19          2HD       LYS  19   4.360   5.850  -5.170
  143   2HD   LYS  19          1HD       LYS  19   3.335   4.545  -4.593
  144   1HE   LYS  19          2HE       LYS  19   2.534   5.455  -6.768
  145   2HE   LYS  19          1HE       LYS  19   1.338   5.682  -5.503
  146   1HZ   LYS  19          1HZ       LYS  19   1.405   7.799  -5.807
  147   2HZ   LYS  19          2HZ       LYS  19   2.485   7.621  -7.116
  148   3HZ   LYS  19          3HZ       LYS  19   3.075   7.893  -5.543
  149    H    THR  20           H        THR  20   4.235   5.452   0.444
  150    HA   THR  20           HA       THR  20   6.609   3.857   0.787
  151    HB   THR  20           HB       THR  20   6.696   4.794   3.094
  152    HG1  THR  20           HG1      THR  20   3.953   5.159   2.558
  153   1HG2  THR  20          1HG2      THR  20   7.060   6.472   1.225
  154   2HG2  THR  20          2HG2      THR  20   6.363   7.216   2.657
  155   3HG2  THR  20          3HG2      THR  20   5.344   6.857   1.271
  156    H    HIS  21           H        HIS  21   3.261   3.553   2.001
  157    HA   HIS  21           HA       HIS  21   3.506   1.399   3.750
  158   1HB   HIS  21          1HB       HIS  21   1.273   2.205   3.444
  159   2HB   HIS  21          2HB       HIS  21   1.310   2.024   1.711
  160    HD1  HIS  21           HD1      HIS  21   1.574  -0.284   4.652
  161    HD2  HIS  21           HD2      HIS  21   0.179  -0.288   0.817
  162    HE1  HIS  21           HE1      HIS  21   0.520  -2.494   4.305
  163    H    ILE  22           H        ILE  22   2.885   1.046   0.285
  164    HA   ILE  22           HA       ILE  22   3.304  -1.701  -0.027
  165    HB   ILE  22           HB       ILE  22   3.999   0.539  -2.002
  166   1HG1  ILE  22          2HG1      ILE  22   1.514  -1.237  -1.811
  167   2HG1  ILE  22          1HG1      ILE  22   1.599   0.395  -1.194
  168   1HG2  ILE  22          1HG2      ILE  22   3.558  -2.450  -2.526
  169   2HG2  ILE  22          2HG2      ILE  22   5.112  -1.638  -2.617
  170   3HG2  ILE  22          3HG2      ILE  22   3.859  -1.246  -3.761
  171   1HD1  ILE  22          1HD       ILE  22   2.077   1.259  -3.477
  172   2HD1  ILE  22          2HD       ILE  22   0.571   0.358  -3.452
  173   3HD1  ILE  22          3HD       ILE  22   2.005  -0.370  -4.130
  174    H    LYS  23           H        LYS  23   5.699   0.810  -0.723
  175    HA   LYS  23           HA       LYS  23   7.974  -0.446  -1.272
  176   1HB   LYS  23          1HB       LYS  23   7.761   1.999  -0.872
  177   2HB   LYS  23          2HB       LYS  23   7.762   1.723   0.858
  178   1HG   LYS  23          2HG       LYS  23  10.020   0.718   0.731
  179   2HG   LYS  23          1HG       LYS  23  10.046   0.984  -1.003
  180   1HD   LYS  23          2HD       LYS  23   9.751   3.456  -0.586
  181   2HD   LYS  23          1HD       LYS  23   9.779   3.146   1.135
  182   1HE   LYS  23          2HE       LYS  23  12.056   2.465  -0.768
  183   2HE   LYS  23          1HE       LYS  23  12.023   3.872   0.282
  184   1HZ   LYS  23          1HZ       LYS  23  12.842   1.281   0.885
  185   2HZ   LYS  23          2HZ       LYS  23  11.470   1.619   1.831
  186   3HZ   LYS  23          3HZ       LYS  23  12.821   2.643   1.899
  187    H    THR  24           H        THR  24   6.961  -0.124   2.106
  188    HA   THR  24           HA       THR  24   8.869  -2.320   2.815
  189    HB   THR  24           HB       THR  24   9.410  -0.085   3.820
  190    HG1  THR  24           HG1      THR  24   8.519  -1.331   6.055
  191   1HG2  THR  24          1HG2      THR  24   6.710  -0.392   5.258
  192   2HG2  THR  24          2HG2      THR  24   7.040   0.794   4.007
  193   3HG2  THR  24          3HG2      THR  24   7.889   0.877   5.533
  194    H    LYS  25           H        LYS  25   6.229  -2.978   1.947
  195    HA   LYS  25           HA       LYS  25   5.362  -4.601   4.274
  196   1HB   LYS  25          1HB       LYS  25   3.591  -2.734   2.639
  197   2HB   LYS  25          2HB       LYS  25   2.922  -4.099   3.517
  198   1HG   LYS  25          2HG       LYS  25   4.674  -2.103   4.968
  199   2HG   LYS  25          1HG       LYS  25   2.978  -1.783   4.764
  200   1HD   LYS  25          2HD       LYS  25   2.529  -4.098   5.792
  201   2HD   LYS  25          1HD       LYS  25   4.245  -4.213   6.129
  202   1HE   LYS  25          2HE       LYS  25   4.089  -2.147   7.532
  203   2HE   LYS  25          1HE       LYS  25   2.370  -2.051   7.173
  204   1HZ   LYS  25          1HZ       LYS  25   3.631  -3.555   9.148
  205   2HZ   LYS  25          2HZ       LYS  25   2.931  -4.640   8.048
  206   3HZ   LYS  25          3HZ       LYS  25   1.974  -3.450   8.794
  207    H    HIS  26           H        HIS  26   5.324  -3.930   0.903
  208    HA   HIS  26           HA       HIS  26   4.742  -6.788   0.239
  209   1HB   HIS  26          1HB       HIS  26   4.071  -4.234  -1.315
  210   2HB   HIS  26          2HB       HIS  26   3.672  -5.847  -1.846
  211    HD1  HIS  26           HD1      HIS  26   2.414  -7.105   0.482
  212    HD2  HIS  26           HD2      HIS  26   1.788  -3.122  -0.196
  213    HE1  HIS  26           HE1      HIS  26   0.366  -6.512   1.700
  214    H    SER  27           H        SER  27   6.028  -3.912  -1.212
  215    HA   SER  27           HA       SER  27   8.051  -3.263  -2.071
  216   1HB   SER  27          2HB       SER  27   9.155  -6.056  -1.363
  217   2HB   SER  27          1HB       SER  27  10.078  -4.607  -1.763
  218    HG   SER  27           HG       SER  27   9.886  -4.093   0.230
  219    H    LYS  28           H        LYS  28   7.621  -6.612  -2.770
  220    HA   LYS  28           HA       LYS  28   7.663  -6.093  -5.715
  221   1HB   LYS  28          1HB       LYS  28   9.177  -8.240  -4.203
  222   2HB   LYS  28          2HB       LYS  28   8.990  -8.262  -5.949
  223   1HG   LYS  28          2HG       LYS  28  10.139  -6.058  -6.086
  224   2HG   LYS  28          1HG       LYS  28  10.289  -6.030  -4.337
  225   1HD   LYS  28          2HD       LYS  28  11.693  -8.036  -4.347
  226   2HD   LYS  28          1HD       LYS  28  11.454  -8.241  -6.074
  227   1HE   LYS  28          2HE       LYS  28  12.807  -5.830  -4.787
  228   2HE   LYS  28          1HE       LYS  28  13.655  -7.168  -5.548
  229   1HZ   LYS  28          1HZ       LYS  28  11.710  -6.236  -7.323
  230   2HZ   LYS  28          2HZ       LYS  28  13.402  -6.191  -7.480
  231   3HZ   LYS  28          3HZ       LYS  28  12.579  -4.896  -6.745
  232    H    GLU  29           H        GLU  29   7.233  -8.777  -3.603
  233    HA   GLU  29           HA       GLU  29   5.941 -10.733  -3.866
  234   1HB   GLU  29          1HB       GLU  29   3.607 -10.194  -3.168
  235   2HB   GLU  29          2HB       GLU  29   4.821  -9.405  -2.184
  236   1HG   GLU  29          2HG       GLU  29   4.438  -7.274  -3.303
  237   2HG   GLU  29          1HG       GLU  29   3.407  -8.000  -4.514
  238    H    LYS  30           H        LYS  30   6.501 -10.939  -6.165
  239    HA   LYS  30           HA       LYS  30   4.112 -10.781  -7.976
  240   1HB   LYS  30          1HB       LYS  30   7.080 -10.824  -8.600
  241   2HB   LYS  30          2HB       LYS  30   5.839 -10.986  -9.837
  242   1HG   LYS  30          2HG       LYS  30   4.886  -8.769  -9.072
  243   2HG   LYS  30          1HG       LYS  30   6.228  -8.614  -7.967
  244   1HD   LYS  30          2HD       LYS  30   6.498  -8.861 -10.995
  245   2HD   LYS  30          1HD       LYS  30   6.580  -7.353 -10.108
  246   1HE   LYS  30          2HE       LYS  30   8.529  -9.683  -9.797
  247   2HE   LYS  30          1HE       LYS  30   8.852  -8.153 -10.591
  248   1HZ   LYS  30          1HZ       LYS  30   9.419  -7.300  -8.662
  249   2HZ   LYS  30          2HZ       LYS  30   9.081  -8.775  -7.888
  250   3HZ   LYS  30          3HZ       LYS  30   7.866  -7.597  -8.044
  Start of MODEL    4
    1   1H    LYS   1          1H        LYS   1 -13.634   5.680  -0.225
    2   2H    LYS   1          2H        LYS   1 -12.409   5.778  -1.387
    3   3H    LYS   1          3H        LYS   1 -14.031   5.996  -1.846
    4    HA   LYS   1           HA       LYS   1 -13.827   8.163  -1.548
    5   1HB   LYS   1          2HB       LYS   1 -13.018   7.378   1.311
    6   2HB   LYS   1          1HB       LYS   1 -13.324   9.021   0.807
    7   1HG   LYS   1          2HG       LYS   1 -15.311   8.185   1.904
    8   2HG   LYS   1          1HG       LYS   1 -15.663   8.425   0.208
    9   1HD   LYS   1          2HD       LYS   1 -15.473   5.996  -0.218
   10   2HD   LYS   1          1HD       LYS   1 -14.968   5.712   1.443
   11   1HE   LYS   1          2HE       LYS   1 -17.352   5.176   1.142
   12   2HE   LYS   1          1HE       LYS   1 -17.220   6.581   2.182
   13   1HZ   LYS   1          1HZ       LYS   1 -18.568   6.339  -0.243
   14   2HZ   LYS   1          2HZ       LYS   1 -17.305   7.448  -0.477
   15   3HZ   LYS   1          3HZ       LYS   1 -18.437   7.708   0.761
   16    H    THR   2           H        THR   2 -11.294   6.481   0.087
   17    HA   THR   2           HA       THR   2  -9.131   8.211  -1.082
   18    HB   THR   2           HB       THR   2  -8.684   6.421   1.374
   19    HG1  THR   2           HG1      THR   2 -10.452   8.538   1.115
   20   1HG2  THR   2          1HG2      THR   2  -6.900   8.012   0.290
   21   2HG2  THR   2          2HG2      THR   2  -7.261   8.355   1.978
   22   3HG2  THR   2          3HG2      THR   2  -7.954   9.344   0.707
   23    H    TYR   3           H        TYR   3  -7.093   6.370  -0.656
   24    HA   TYR   3           HA       TYR   3  -7.826   4.327  -2.722
   25   1HB   TYR   3          1HB       TYR   3  -5.000   4.830  -1.774
   26   2HB   TYR   3          2HB       TYR   3  -5.539   4.122  -3.290
   27    HD1  TYR   3           HD1      TYR   3  -7.484   6.086  -4.318
   28    HD2  TYR   3           HD2      TYR   3  -3.781   6.703  -2.300
   29    HE1  TYR   3           HE1      TYR   3  -7.244   8.266  -5.406
   30    HE2  TYR   3           HE2      TYR   3  -3.549   8.876  -3.391
   31    HH   TYR   3           HH       TYR   3  -6.063  10.155  -5.529
   32    H    GLN   4           H        GLN   4  -7.444   2.217  -2.506
   33    HA   GLN   4           HA       GLN   4  -6.761   1.164   0.215
   34   1HB   GLN   4          1HB       GLN   4  -9.140   0.697  -0.459
   35   2HB   GLN   4          2HB       GLN   4  -8.563  -0.044  -1.950
   36   1HG   GLN   4          2HG       GLN   4  -7.282  -1.734  -0.485
   37   2HG   GLN   4          1HG       GLN   4  -8.094  -1.036   0.906
   38   1HE2  GLN   4          1HE2      GLN   4  -8.293  -3.278  -1.593
   39   2HE2  GLN   4          2HE2      GLN   4  -9.930  -3.733  -1.435
   40    H    CYS   5           H        CYS   5  -5.495  -0.709   0.177
   41    HA   CYS   5           HA       CYS   5  -3.469  -0.748  -1.893
   42   1HB   CYS   5          1HB       CYS   5  -2.980  -1.144   0.470
   43   2HB   CYS   5          2HB       CYS   5  -3.980  -2.597   0.449
   44    H    GLN   6           H        GLN   6  -2.852  -2.633  -3.081
   45    HA   GLN   6           HA       GLN   6  -5.131  -4.411  -3.850
   46   1HB   GLN   6          1HB       GLN   6  -4.503  -2.578  -5.529
   47   2HB   GLN   6          2HB       GLN   6  -2.912  -3.294  -5.641
   48   1HG   GLN   6          2HG       GLN   6  -4.487  -3.948  -7.516
   49   2HG   GLN   6          1HG       GLN   6  -3.802  -5.325  -6.672
   50   1HE2  GLN   6          1HE2      GLN   6  -5.371  -6.876  -6.429
   51   2HE2  GLN   6          2HE2      GLN   6  -6.999  -6.590  -6.038
   52    H    TYR   7           H        TYR   7  -3.298  -4.819  -1.823
   53    HA   TYR   7           HA       TYR   7  -1.923  -7.297  -2.729
   54   1HB   TYR   7          1HB       TYR   7  -0.685  -5.157  -0.913
   55   2HB   TYR   7          2HB       TYR   7   0.059  -6.698  -1.299
   56    HD1  TYR   7           HD1      TYR   7   0.021  -7.192  -4.006
   57    HD2  TYR   7           HD2      TYR   7   0.100  -3.333  -2.197
   58    HE1  TYR   7           HE1      TYR   7   0.946  -6.241  -6.060
   59    HE2  TYR   7           HE2      TYR   7   1.022  -2.392  -4.256
   60    HH   TYR   7           HH       TYR   7   1.794  -4.444  -7.041
   61    H    CYS   8           H        CYS   8  -2.888  -5.318   0.121
   62    HA   CYS   8           HA       CYS   8  -3.737  -7.812   1.491
   63   1HB   CYS   8          1HB       CYS   8  -3.078  -6.652   3.563
   64   2HB   CYS   8          2HB       CYS   8  -1.730  -6.676   2.478
   65    H    GLU   9           H        GLU   9  -4.641  -5.241   3.185
   66    HA   GLU   9           HA       GLU   9  -6.920  -4.273   1.616
   67   1HB   GLU   9          1HB       GLU   9  -8.685  -5.127   3.137
   68   2HB   GLU   9          2HB       GLU   9  -7.837  -6.425   2.347
   69   1HG   GLU   9          2HG       GLU   9  -7.001  -5.593   5.143
   70   2HG   GLU   9          1HG       GLU   9  -8.395  -6.622   4.911
   71    H    LEU  10           H        LEU  10  -4.966  -2.789   2.605
   72    HA   LEU  10           HA       LEU  10  -6.082  -1.367   5.002
   73   1HB   LEU  10          1HB       LEU  10  -3.809  -2.237   5.296
   74   2HB   LEU  10          2HB       LEU  10  -3.278  -1.468   3.797
   75    HG   LEU  10           HG       LEU  10  -4.423   0.339   5.943
   76   1HD1  LEU  10          1HD1      LEU  10  -2.213   0.428   7.077
   77   2HD1  LEU  10          2HD1      LEU  10  -1.601  -0.852   6.041
   78   3HD1  LEU  10          3HD1      LEU  10  -2.883  -1.185   7.195
   79   1HD2  LEU  10          1HD2      LEU  10  -2.644   1.845   5.071
   80   2HD2  LEU  10          2HD2      LEU  10  -3.557   1.235   3.705
   81   3HD2  LEU  10          3HD2      LEU  10  -1.993   0.557   4.084
   82    H    ARG  11           H        ARG  11  -6.007   1.002   4.899
   83    HA   ARG  11           HA       ARG  11  -6.332   2.085   2.123
   84   1HB   ARG  11          1HB       ARG  11  -7.832   2.723   4.690
   85   2HB   ARG  11          2HB       ARG  11  -7.806   3.860   3.363
   86   1HG   ARG  11          2HG       ARG  11  -8.783   2.128   1.854
   87   2HG   ARG  11          1HG       ARG  11  -8.866   1.006   3.201
   88   1HD   ARG  11          2HD       ARG  11 -11.067   2.141   2.888
   89   2HD   ARG  11          1HD       ARG  11 -10.365   2.597   4.434
   90    HE   ARG  11           HE       ARG  11  -9.604   4.727   3.303
   91   1HH1  ARG  11          2HH1      ARG  11 -12.522   4.851   3.712
   92   2HH1  ARG  11          1HH1      ARG  11 -13.114   5.276   2.141
   93   1HH2  ARG  11          1HH2      ARG  11 -10.139   4.367   0.537
   94   2HH2  ARG  11          2HH2      ARG  11 -11.737   5.002   0.309
   95    H    SER  12           H        SER  12  -5.474   4.015   1.676
   96    HA   SER  12           HA       SER  12  -3.727   5.321   3.717
   97   1HB   SER  12          2HB       SER  12  -3.021   4.649   0.847
   98   2HB   SER  12          1HB       SER  12  -2.022   5.650   1.905
   99    HG   SER  12           HG       SER  12  -1.372   3.915   2.856
  100    H    ALA  13           H        ALA  13  -3.450   7.430   3.598
  101    HA   ALA  13           HA       ALA  13  -5.040   9.061   1.648
  102   1HB   ALA  13          1HB       ALA  13  -5.582  10.566   3.525
  103   2HB   ALA  13          2HB       ALA  13  -4.767   9.473   4.639
  104   3HB   ALA  13          3HB       ALA  13  -6.211   8.949   3.789
  105    H    ASP  14           H        ASP  14  -1.744  10.519   1.201
  106    HA   ASP  14           HA       ASP  14  -3.958   8.836   0.070
  107   1HB   ASP  14          1HB       ASP  14  -2.589  11.276  -1.135
  108   2HB   ASP  14          2HB       ASP  14  -3.844  10.324  -1.905
  109    H    SER  15           H        SER  15  -1.372  10.009  -1.927
  110    HA   SER  15           HA       SER  15   0.123   7.464  -1.697
  111   1HB   SER  15          2HB       SER  15  -0.063   7.076  -4.173
  112   2HB   SER  15          1HB       SER  15  -1.643   7.043  -3.387
  113    HG   SER  15           HG       SER  15  -0.716   8.763  -5.220
  114    H    SER  16           H        SER  16   2.665  10.170  -2.130
  115    HA   SER  16           HA       SER  16   2.719  10.061   0.090
  116   1HB   SER  16          2HB       SER  16   0.635  11.547  -0.548
  117   2HB   SER  16          1HB       SER  16  -0.347  10.199  -0.004
  118    HG   SER  16           HG       SER  16   0.067  10.676   1.949
  119    H    ASN  17           H        ASN  17   0.799   9.173   1.728
  120    HA   ASN  17           HA       ASN  17   1.478   6.958   2.992
  121   1HB   ASN  17          1HB       ASN  17  -1.387   7.731   2.432
  122   2HB   ASN  17          2HB       ASN  17  -0.921   6.567   3.660
  123   1HD2  ASN  17          2HD2      ASN  17   1.432   9.114   3.356
  124   2HD2  ASN  17          1HD2      ASN  17   0.894  10.019   4.685
  125    H    LEU  18           H        LEU  18  -0.188   6.562  -0.075
  126    HA   LEU  18           HA       LEU  18  -0.557   3.684   0.343
  127   1HB   LEU  18          1HB       LEU  18  -2.198   5.113  -1.000
  128   2HB   LEU  18          2HB       LEU  18  -0.934   5.339  -2.201
  129    HG   LEU  18           HG       LEU  18  -2.711   3.579  -2.738
  130   1HD1  LEU  18          1HD1      LEU  18  -0.576   3.651  -3.983
  131   2HD1  LEU  18          2HD1      LEU  18  -1.155   2.008  -3.761
  132   3HD1  LEU  18          3HD1      LEU  18   0.173   2.606  -2.787
  133   1HD2  LEU  18          1HD2      LEU  18  -2.436   1.350  -1.740
  134   2HD2  LEU  18          2HD2      LEU  18  -2.854   2.524  -0.505
  135   3HD2  LEU  18          3HD2      LEU  18  -1.197   1.953  -0.662
  136    H    LYS  19           H        LYS  19   1.169   5.651  -2.072
  137    HA   LYS  19           HA       LYS  19   2.732   3.682  -3.276
  138   1HB   LYS  19          1HB       LYS  19   2.638   6.148  -3.887
  139   2HB   LYS  19          2HB       LYS  19   3.649   6.511  -2.508
  140   1HG   LYS  19          2HG       LYS  19   4.535   4.535  -4.646
  141   2HG   LYS  19          1HG       LYS  19   4.763   6.251  -4.871
  142   1HD   LYS  19          2HD       LYS  19   6.234   6.438  -2.989
  143   2HD   LYS  19          1HD       LYS  19   5.881   4.832  -2.406
  144   1HE   LYS  19          2HE       LYS  19   7.236   5.432  -5.057
  145   2HE   LYS  19          1HE       LYS  19   8.044   4.893  -3.588
  146   1HZ   LYS  19          1HZ       LYS  19   7.576   2.831  -4.120
  147   2HZ   LYS  19          2HZ       LYS  19   6.778   3.341  -5.531
  148   3HZ   LYS  19          3HZ       LYS  19   5.913   3.163  -4.084
  149    H    THR  20           H        THR  20   3.379   5.545  -0.411
  150    HA   THR  20           HA       THR  20   5.825   4.291   0.392
  151    HB   THR  20           HB       THR  20   5.278   5.407   2.661
  152    HG1  THR  20           HG1      THR  20   3.207   5.541   2.936
  153   1HG2  THR  20          1HG2      THR  20   4.526   7.162   0.235
  154   2HG2  THR  20          2HG2      THR  20   6.184   6.859   0.724
  155   3HG2  THR  20          3HG2      THR  20   5.102   7.742   1.785
  156    H    HIS  21           H        HIS  21   2.471   3.744   1.554
  157    HA   HIS  21           HA       HIS  21   2.841   1.755   3.416
  158   1HB   HIS  21          1HB       HIS  21   0.553   2.379   2.920
  159   2HB   HIS  21          2HB       HIS  21   0.703   1.963   1.226
  160    HD1  HIS  21           HD1      HIS  21   0.784   0.136   4.539
  161    HD2  HIS  21           HD2      HIS  21  -0.106  -0.541   0.611
  162    HE1  HIS  21           HE1      HIS  21  -0.100  -2.168   4.416
  163    H    ILE  22           H        ILE  22   2.470   1.142  -0.036
  164    HA   ILE  22           HA       ILE  22   3.075  -1.599  -0.129
  165    HB   ILE  22           HB       ILE  22   3.837   0.504  -2.226
  166   1HG1  ILE  22          2HG1      ILE  22   1.271  -1.150  -2.057
  167   2HG1  ILE  22          1HG1      ILE  22   1.368   0.502  -1.496
  168   1HG2  ILE  22          1HG2      ILE  22   3.305  -2.506  -2.473
  169   2HG2  ILE  22          2HG2      ILE  22   4.883  -1.751  -2.570
  170   3HG2  ILE  22          3HG2      ILE  22   3.695  -1.442  -3.813
  171   1HD1  ILE  22          1HD       ILE  22   0.477   0.426  -3.787
  172   2HD1  ILE  22          2HD       ILE  22   1.928  -0.377  -4.354
  173   3HD1  ILE  22          3HD       ILE  22   2.020   1.268  -3.755
  174    H    LYS  23           H        LYS  23   5.307   1.017  -0.909
  175    HA   LYS  23           HA       LYS  23   7.724  -0.046  -1.213
  176   1HB   LYS  23          1HB       LYS  23   7.065   2.432  -0.963
  177   2HB   LYS  23          2HB       LYS  23   7.337   2.237   0.758
  178   1HG   LYS  23          2HG       LYS  23   9.687   1.494   0.304
  179   2HG   LYS  23          1HG       LYS  23   9.395   1.799  -1.403
  180   1HD   LYS  23          2HD       LYS  23   8.914   4.186  -0.934
  181   2HD   LYS  23          1HD       LYS  23   9.113   3.900   0.786
  182   1HE   LYS  23          2HE       LYS  23  11.179   4.857  -0.199
  183   2HE   LYS  23          1HE       LYS  23  11.481   3.253   0.443
  184   1HZ   LYS  23          1HZ       LYS  23  10.636   3.067  -2.245
  185   2HZ   LYS  23          2HZ       LYS  23  12.099   2.578  -1.529
  186   3HZ   LYS  23          3HZ       LYS  23  11.928   4.165  -2.123
  187    H    THR  24           H        THR  24   6.255   0.283   1.934
  188    HA   THR  24           HA       THR  24   8.483  -1.174   3.212
  189    HB   THR  24           HB       THR  24   7.506  -0.248   5.382
  190    HG1  THR  24           HG1      THR  24   5.532   0.381   5.165
  191   1HG2  THR  24          1HG2      THR  24   7.695   1.876   3.164
  192   2HG2  THR  24          2HG2      THR  24   9.108   1.181   3.929
  193   3HG2  THR  24          3HG2      THR  24   7.975   2.122   4.882
  194    H    LYS  25           H        LYS  25   5.015  -1.528   3.183
  195    HA   LYS  25           HA       LYS  25   5.076  -3.873   4.927
  196   1HB   LYS  25          1HB       LYS  25   2.847  -2.481   3.404
  197   2HB   LYS  25          2HB       LYS  25   2.569  -4.003   4.238
  198   1HG   LYS  25          2HG       LYS  25   1.889  -2.173   5.672
  199   2HG   LYS  25          1HG       LYS  25   3.267  -2.998   6.367
  200   1HD   LYS  25          2HD       LYS  25   4.774  -1.242   5.643
  201   2HD   LYS  25          1HD       LYS  25   3.504  -0.443   4.723
  202   1HE   LYS  25          2HE       LYS  25   2.285   0.001   6.866
  203   2HE   LYS  25          1HE       LYS  25   3.576  -0.808   7.752
  204   1HZ   LYS  25          1HZ       LYS  25   3.462   1.848   6.879
  205   2HZ   LYS  25          2HZ       LYS  25   4.726   1.061   6.062
  206   3HZ   LYS  25          3HZ       LYS  25   4.691   1.071   7.759
  207    H    HIS  26           H        HIS  26   5.229  -3.433   1.503
  208    HA   HIS  26           HA       HIS  26   4.857  -6.373   1.133
  209   1HB   HIS  26          1HB       HIS  26   4.196  -4.092  -0.774
  210   2HB   HIS  26          2HB       HIS  26   4.033  -5.798  -1.154
  211    HD1  HIS  26           HD1      HIS  26   2.600  -6.989   1.055
  212    HD2  HIS  26           HD2      HIS  26   1.736  -3.119   0.070
  213    HE1  HIS  26           HE1      HIS  26   0.372  -6.523   1.993
  214    H    SER  27           H        SER  27   6.678  -3.524   0.183
  215    HA   SER  27           HA       SER  27   8.723  -5.294  -1.109
  216   1HB   SER  27          2HB       SER  27   7.675  -3.541  -2.568
  217   2HB   SER  27          1HB       SER  27   8.287  -2.292  -1.476
  218    HG   SER  27           HG       SER  27   9.592  -3.686  -3.367
  219    H    LYS  28           H        LYS  28   8.901  -5.468   1.443
  220    HA   LYS  28           HA       LYS  28   9.905  -4.556   3.474
  221   1HB   LYS  28          1HB       LYS  28  10.709  -6.766   2.748
  222   2HB   LYS  28          2HB       LYS  28  11.911  -6.023   1.696
  223   1HG   LYS  28          2HG       LYS  28  12.908  -6.887   3.777
  224   2HG   LYS  28          1HG       LYS  28  13.143  -5.157   3.657
  225   1HD   LYS  28          2HD       LYS  28  11.163  -4.830   5.202
  226   2HD   LYS  28          1HD       LYS  28  11.017  -6.576   5.332
  227   1HE   LYS  28          2HE       LYS  28  13.482  -4.957   6.106
  228   2HE   LYS  28          1HE       LYS  28  12.300  -5.586   7.238
  229   1HZ   LYS  28          1HZ       LYS  28  13.386  -7.480   7.262
  230   2HZ   LYS  28          2HZ       LYS  28  14.518  -6.868   6.151
  231   3HZ   LYS  28          3HZ       LYS  28  13.134  -7.685   5.596
  232    H    GLU  29           H        GLU  29   9.804  -2.350   3.046
  233    HA   GLU  29           HA       GLU  29  10.694  -0.220   2.301
  234   1HB   GLU  29          1HB       GLU  29  10.280  -0.599   4.734
  235   2HB   GLU  29          2HB       GLU  29  11.963  -1.019   4.946
  236   1HG   GLU  29          2HG       GLU  29  12.666   1.259   4.295
  237   2HG   GLU  29          1HG       GLU  29  11.036   1.699   3.868
  238    H    LYS  30           H        LYS  30  12.089  -1.381   0.544
  239    HA   LYS  30           HA       LYS  30  14.957  -0.608   0.969
  240   1HB   LYS  30          1HB       LYS  30  14.532  -3.103   0.632
  241   2HB   LYS  30          2HB       LYS  30  13.949  -2.717  -0.979
  242   1HG   LYS  30          2HG       LYS  30  16.137  -1.680  -1.546
  243   2HG   LYS  30          1HG       LYS  30  16.737  -2.045   0.064
  244   1HD   LYS  30          2HD       LYS  30  16.326  -4.485  -0.356
  245   2HD   LYS  30          1HD       LYS  30  15.804  -4.098  -1.988
  246   1HE   LYS  30          2HE       LYS  30  18.046  -3.177  -2.514
  247   2HE   LYS  30          1HE       LYS  30  18.582  -3.494  -0.870
  248   1HZ   LYS  30          1HZ       LYS  30  19.093  -5.536  -1.461
  249   2HZ   LYS  30          2HZ       LYS  30  18.595  -5.222  -3.050
  250   3HZ   LYS  30          3HZ       LYS  30  17.489  -5.848  -1.921
  Start of MODEL    5
    1   1H    LYS   1          1H        LYS   1 -10.167  11.836  -3.214
    2   2H    LYS   1          2H        LYS   1 -11.516  10.960  -2.670
    3   3H    LYS   1          3H        LYS   1 -10.042  10.163  -2.952
    4    HA   LYS   1           HA       LYS   1  -9.536  12.227  -1.179
    5   1HB   LYS   1          2HB       LYS   1 -11.972  12.148  -0.655
    6   2HB   LYS   1          1HB       LYS   1 -11.876  10.425  -0.396
    7   1HG   LYS   1          2HG       LYS   1 -11.903  11.313   1.789
    8   2HG   LYS   1          1HG       LYS   1 -10.216  10.961   1.543
    9   1HD   LYS   1          2HD       LYS   1 -11.285  13.737   0.928
   10   2HD   LYS   1          1HD       LYS   1 -10.965  13.271   2.579
   11   1HE   LYS   1          2HE       LYS   1  -8.843  13.225   0.378
   12   2HE   LYS   1          1HE       LYS   1  -9.049  14.482   1.575
   13   1HZ   LYS   1          1HZ       LYS   1  -8.985  12.043   2.914
   14   2HZ   LYS   1          2HZ       LYS   1  -7.860  13.315   2.964
   15   3HZ   LYS   1          3HZ       LYS   1  -7.687  12.074   1.824
   16    H    THR   2           H        THR   2 -10.434   8.794  -1.427
   17    HA   THR   2           HA       THR   2  -7.941   8.105   0.071
   18    HB   THR   2           HB       THR   2  -9.094   5.906   0.609
   19    HG1  THR   2           HG1      THR   2 -11.540   6.673  -0.145
   20   1HG2  THR   2          1HG2      THR   2 -10.864   6.806   2.079
   21   2HG2  THR   2          2HG2      THR   2 -10.916   8.310   1.177
   22   3HG2  THR   2          3HG2      THR   2  -9.505   7.910   2.144
   23    H    TYR   3           H        TYR   3  -6.910   6.268  -0.371
   24    HA   TYR   3           HA       TYR   3  -6.831   5.254  -3.185
   25   1HB   TYR   3          1HB       TYR   3  -4.441   5.975  -1.378
   26   2HB   TYR   3          2HB       TYR   3  -4.311   5.195  -2.944
   27    HD1  TYR   3           HD1      TYR   3  -5.965   8.290  -1.498
   28    HD2  TYR   3           HD2      TYR   3  -3.719   6.584  -4.701
   29    HE1  TYR   3           HE1      TYR   3  -5.886  10.458  -2.601
   30    HE2  TYR   3           HE2      TYR   3  -3.631   8.766  -5.785
   31    HH   TYR   3           HH       TYR   3  -4.101  10.915  -5.638
   32    H    GLN   4           H        GLN   4  -6.164   2.966  -3.208
   33    HA   GLN   4           HA       GLN   4  -6.129   1.698  -0.495
   34   1HB   GLN   4          1HB       GLN   4  -8.396   1.574  -1.333
   35   2HB   GLN   4          2HB       GLN   4  -7.845   0.932  -2.879
   36   1HG   GLN   4          2HG       GLN   4  -7.239  -1.169  -1.905
   37   2HG   GLN   4          1HG       GLN   4  -7.310  -0.517  -0.270
   38   1HE2  GLN   4          2HE2      GLN   4  -8.980  -1.546   0.687
   39   2HE2  GLN   4          1HE2      GLN   4 -10.564  -1.667   0.084
   40    H    CYS   5           H        CYS   5  -5.353  -0.411  -0.375
   41    HA   CYS   5           HA       CYS   5  -3.138  -0.978  -2.285
   42   1HB   CYS   5          1HB       CYS   5  -2.544  -0.700   0.098
   43   2HB   CYS   5          2HB       CYS   5  -3.687  -1.974   0.535
   44    H    GLN   6           H        GLN   6  -2.873  -3.046  -3.100
   45    HA   GLN   6           HA       GLN   6  -5.255  -4.868  -2.974
   46   1HB   GLN   6          1HB       GLN   6  -3.419  -4.255  -5.342
   47   2HB   GLN   6          2HB       GLN   6  -4.741  -5.409  -5.370
   48   1HG   GLN   6          2HG       GLN   6  -6.366  -3.579  -4.894
   49   2HG   GLN   6          1HG       GLN   6  -5.048  -2.416  -4.820
   50   1HE2  GLN   6          2HE2      GLN   6  -7.408  -3.480  -6.865
   51   2HE2  GLN   6          1HE2      GLN   6  -6.667  -3.150  -8.355
   52    H    TYR   7           H        TYR   7  -3.186  -4.961  -1.219
   53    HA   TYR   7           HA       TYR   7  -1.877  -7.562  -1.871
   54   1HB   TYR   7          1HB       TYR   7  -0.618  -5.149  -0.505
   55   2HB   TYR   7          2HB       TYR   7   0.152  -6.720  -0.623
   56    HD1  TYR   7           HD1      TYR   7   0.199  -7.745  -3.081
   57    HD2  TYR   7           HD2      TYR   7  -0.191  -3.585  -2.250
   58    HE1  TYR   7           HE1      TYR   7   0.981  -7.217  -5.334
   59    HE2  TYR   7           HE2      TYR   7   0.591  -3.067  -4.513
   60    HH   TYR   7           HH       TYR   7   1.388  -5.639  -6.816
   61    H    CYS   8           H        CYS   8  -2.921  -5.316   0.647
   62    HA   CYS   8           HA       CYS   8  -3.281  -7.648   2.500
   63   1HB   CYS   8          1HB       CYS   8  -3.057  -6.009   4.323
   64   2HB   CYS   8          2HB       CYS   8  -1.629  -6.164   3.354
   65    H    GLU   9           H        GLU   9  -4.596  -4.497   1.705
   66    HA   GLU   9           HA       GLU   9  -7.150  -4.680   1.090
   67   1HB   GLU   9          1HB       GLU   9  -8.581  -4.766   3.145
   68   2HB   GLU   9          2HB       GLU   9  -7.784  -6.288   2.895
   69   1HG   GLU   9          2HG       GLU   9  -5.985  -5.390   4.612
   70   2HG   GLU   9          1HG       GLU   9  -7.130  -4.107   4.938
   71    H    LEU  10           H        LEU  10  -5.280  -3.431   3.738
   72    HA   LEU  10           HA       LEU  10  -6.220  -1.212   4.740
   73   1HB   LEU  10          1HB       LEU  10  -3.931  -1.933   5.046
   74   2HB   LEU  10          2HB       LEU  10  -3.488  -1.417   3.418
   75    HG   LEU  10           HG       LEU  10  -4.635   0.671   5.294
   76   1HD1  LEU  10          1HD1      LEU  10  -2.947  -0.538   6.671
   77   2HD1  LEU  10          2HD1      LEU  10  -2.381   1.066   6.249
   78   3HD1  LEU  10          3HD1      LEU  10  -1.750  -0.338   5.405
   79   1HD2  LEU  10          1HD2      LEU  10  -2.350   0.710   3.242
   80   2HD2  LEU  10          2HD2      LEU  10  -3.000   2.107   4.075
   81   3HD2  LEU  10          3HD2      LEU  10  -3.973   1.261   2.893
   82    H    ARG  11           H        ARG  11  -6.615   0.846   4.470
   83    HA   ARG  11           HA       ARG  11  -6.658   1.974   1.698
   84   1HB   ARG  11          1HB       ARG  11  -8.897   1.239   3.074
   85   2HB   ARG  11          2HB       ARG  11  -8.682   2.838   3.757
   86   1HG   ARG  11          2HG       ARG  11  -8.624   3.774   1.411
   87   2HG   ARG  11          1HG       ARG  11  -8.950   2.153   0.812
   88   1HD   ARG  11          2HD       ARG  11 -11.034   2.123   2.333
   89   2HD   ARG  11          1HD       ARG  11 -10.755   3.840   2.591
   90    HE   ARG  11           HE       ARG  11 -11.072   4.185   0.159
   91   1HH1  ARG  11          1HH2      ARG  11 -11.038   0.888   0.461
   92   2HH1  ARG  11          2HH2      ARG  11 -12.576   0.593  -0.276
   93   1HH2  ARG  11          1HH1      ARG  11 -13.461   3.976  -0.318
   94   2HH2  ARG  11          2HH1      ARG  11 -13.978   2.373  -0.720
   95    H    SER  12           H        SER  12  -6.095   4.109   1.567
   96    HA   SER  12           HA       SER  12  -5.042   5.479   4.015
   97   1HB   SER  12          2HB       SER  12  -3.197   6.394   2.573
   98   2HB   SER  12          1HB       SER  12  -3.153   4.627   2.510
   99    HG   SER  12           HG       SER  12  -3.601   6.360   0.518
  100    H    ALA  13           H        ALA  13  -4.973   7.869   3.678
  101    HA   ALA  13           HA       ALA  13  -7.332   8.741   2.050
  102   1HB   ALA  13          1HB       ALA  13  -7.503  10.603   3.663
  103   2HB   ALA  13          2HB       ALA  13  -6.084  10.002   4.513
  104   3HB   ALA  13          3HB       ALA  13  -7.560   9.046   4.474
  105    H    ASP  14           H        ASP  14  -4.078   8.714   1.872
  106    HA   ASP  14           HA       ASP  14  -4.053  11.144   0.152
  107   1HB   ASP  14          1HB       ASP  14  -1.908  10.433   2.213
  108   2HB   ASP  14          2HB       ASP  14  -1.849  11.805   1.119
  109    H    SER  15           H        SER  15  -1.892  11.224  -0.983
  110    HA   SER  15           HA       SER  15  -1.255   8.539  -2.174
  111   1HB   SER  15          2HB       SER  15  -2.415  10.221  -3.731
  112   2HB   SER  15          1HB       SER  15  -1.035  11.290  -3.509
  113    HG   SER  15           HG       SER  15  -0.080   8.871  -3.979
  114    H    SER  16           H        SER  16  -0.161   9.539   0.179
  115    HA   SER  16           HA       SER  16   2.648  10.270  -0.560
  116   1HB   SER  16          2HB       SER  16   1.504  12.105   0.703
  117   2HB   SER  16          1HB       SER  16   1.139  10.975   2.013
  118    HG   SER  16           HG       SER  16   3.724  10.762   1.319
  119    H    ASN  17           H        ASN  17   0.653   8.648   1.866
  120    HA   ASN  17           HA       ASN  17   2.954   6.857   2.506
  121   1HB   ASN  17          1HB       ASN  17   0.376   7.441   4.017
  122   2HB   ASN  17          2HB       ASN  17   1.608   6.319   4.561
  123   1HD2  ASN  17          1HD2      ASN  17   3.258   8.844   3.032
  124   2HD2  ASN  17          2HD2      ASN  17   3.564   9.804   4.391
  125    H    LEU  18           H        LEU  18   1.397   6.631   0.121
  126    HA   LEU  18           HA       LEU  18   0.056   3.982   0.470
  127   1HB   LEU  18          1HB       LEU  18  -1.300   5.916  -0.588
  128   2HB   LEU  18          2HB       LEU  18  -0.126   5.940  -1.896
  129    HG   LEU  18           HG       LEU  18  -2.198   4.722  -2.517
  130   1HD1  LEU  18          1HD1      LEU  18  -1.236   2.699  -3.443
  131   2HD1  LEU  18          2HD1      LEU  18   0.156   2.835  -2.401
  132   3HD1  LEU  18          3HD1      LEU  18  -0.125   4.045  -3.639
  133   1HD2  LEU  18          1HD2      LEU  18  -2.805   3.823  -0.288
  134   2HD2  LEU  18          2HD2      LEU  18  -1.440   2.723  -0.346
  135   3HD2  LEU  18          3HD2      LEU  18  -2.758   2.553  -1.491
  136    H    LYS  19           H        LYS  19   1.942   5.836  -1.900
  137    HA   LYS  19           HA       LYS  19   3.077   3.764  -3.380
  138   1HB   LYS  19          1HB       LYS  19   4.622   6.233  -2.433
  139   2HB   LYS  19          2HB       LYS  19   4.924   5.336  -3.903
  140   1HG   LYS  19          2HG       LYS  19   2.407   6.958  -3.308
  141   2HG   LYS  19          1HG       LYS  19   3.729   7.485  -4.319
  142   1HD   LYS  19          2HD       LYS  19   3.295   5.546  -5.861
  143   2HD   LYS  19          1HD       LYS  19   1.922   5.093  -4.865
  144   1HE   LYS  19          2HE       LYS  19   0.855   7.294  -5.297
  145   2HE   LYS  19          1HE       LYS  19   2.235   7.782  -6.272
  146   1HZ   LYS  19          1HZ       LYS  19   1.323   5.306  -7.201
  147   2HZ   LYS  19          2HZ       LYS  19   1.323   6.806  -7.998
  148   3HZ   LYS  19          3HZ       LYS  19  -0.011   6.345  -7.059
  149    H    THR  20           H        THR  20   4.446   5.326  -0.587
  150    HA   THR  20           HA       THR  20   6.656   3.650  -0.103
  151    HB   THR  20           HB       THR  20   6.540   4.621   2.273
  152    HG1  THR  20           HG1      THR  20   4.596   5.087   2.877
  153   1HG2  THR  20          1HG2      THR  20   7.374   6.136   0.364
  154   2HG2  THR  20          2HG2      THR  20   6.570   7.019   1.653
  155   3HG2  THR  20          3HG2      THR  20   5.722   6.693   0.153
  156    H    HIS  21           H        HIS  21   3.345   3.448   1.157
  157    HA   HIS  21           HA       HIS  21   3.528   1.380   2.972
  158   1HB   HIS  21          1HB       HIS  21   1.361   2.459   2.484
  159   2HB   HIS  21          2HB       HIS  21   1.313   1.778   0.883
  160    HD1  HIS  21           HD1      HIS  21   1.105   0.550   4.413
  161    HD2  HIS  21           HD2      HIS  21   0.337  -0.705   0.607
  162    HE1  HIS  21           HE1      HIS  21  -0.078  -1.615   4.618
  163    H    ILE  22           H        ILE  22   2.604   0.640  -0.412
  164    HA   ILE  22           HA       ILE  22   3.037  -2.121  -0.322
  165    HB   ILE  22           HB       ILE  22   3.596  -0.246  -2.684
  166   1HG1  ILE  22          2HG1      ILE  22   1.097  -1.647  -2.989
  167   2HG1  ILE  22          1HG1      ILE  22   1.101  -1.049  -1.351
  168   1HG2  ILE  22          1HG2      ILE  22   3.164  -2.242  -4.112
  169   2HG2  ILE  22          2HG2      ILE  22   2.995  -3.243  -2.681
  170   3HG2  ILE  22          3HG2      ILE  22   4.547  -2.520  -3.076
  171   1HD1  ILE  22          1HD       ILE  22   1.624   1.226  -2.214
  172   2HD1  ILE  22          2HD       ILE  22   0.118   0.606  -2.875
  173   3HD1  ILE  22          3HD       ILE  22   1.578   0.611  -3.854
  174    H    LYS  23           H        LYS  23   5.357   0.154  -1.664
  175    HA   LYS  23           HA       LYS  23   7.588  -1.272  -2.100
  176   1HB   LYS  23          1HB       LYS  23   7.420   1.453  -0.761
  177   2HB   LYS  23          2HB       LYS  23   8.891   0.801  -1.468
  178   1HG   LYS  23          2HG       LYS  23   7.861   0.673  -3.660
  179   2HG   LYS  23          1HG       LYS  23   6.291   1.135  -3.041
  180   1HD   LYS  23          2HD       LYS  23   7.356   3.331  -2.266
  181   2HD   LYS  23          1HD       LYS  23   8.808   2.856  -3.116
  182   1HE   LYS  23          2HE       LYS  23   6.057   3.177  -4.389
  183   2HE   LYS  23          1HE       LYS  23   7.385   4.318  -4.531
  184   1HZ   LYS  23          1HZ       LYS  23   8.335   1.794  -5.252
  185   2HZ   LYS  23          2HZ       LYS  23   8.135   3.169  -6.229
  186   3HZ   LYS  23          3HZ       LYS  23   6.867   2.051  -6.066
  187    H    THR  24           H        THR  24   6.975   0.008   1.183
  188    HA   THR  24           HA       THR  24   9.032  -1.932   2.141
  189    HB   THR  24           HB       THR  24   9.420  -0.260   4.045
  190    HG1  THR  24           HG1      THR  24   7.302   0.925   2.589
  191   1HG2  THR  24          1HG2      THR  24   9.463   1.073   1.274
  192   2HG2  THR  24          2HG2      THR  24  10.742   0.011   1.847
  193   3HG2  THR  24          3HG2      THR  24  10.425   1.533   2.666
  194    H    LYS  25           H        LYS  25   6.086  -2.492   1.969
  195    HA   LYS  25           HA       LYS  25   5.731  -3.369   4.811
  196   1HB   LYS  25          1HB       LYS  25   3.485  -2.473   2.930
  197   2HB   LYS  25          2HB       LYS  25   3.273  -3.120   4.549
  198   1HG   LYS  25          2HG       LYS  25   4.865  -0.591   4.108
  199   2HG   LYS  25          1HG       LYS  25   3.127  -0.555   4.216
  200   1HD   LYS  25          2HD       LYS  25   3.697  -0.119   6.415
  201   2HD   LYS  25          1HD       LYS  25   3.494  -1.855   6.490
  202   1HE   LYS  25          2HE       LYS  25   5.918  -2.202   6.408
  203   2HE   LYS  25          1HE       LYS  25   6.189  -0.493   6.075
  204   1HZ   LYS  25          1HZ       LYS  25   6.226  -0.131   8.215
  205   2HZ   LYS  25          2HZ       LYS  25   5.970  -1.780   8.529
  206   3HZ   LYS  25          3HZ       LYS  25   4.644  -0.723   8.386
  207    H    HIS  26           H        HIS  26   5.287  -3.927   1.409
  208    HA   HIS  26           HA       HIS  26   4.528  -6.750   1.942
  209   1HB   HIS  26          1HB       HIS  26   4.085  -4.959  -0.480
  210   2HB   HIS  26          2HB       HIS  26   3.644  -6.658  -0.422
  211    HD1  HIS  26           HD1      HIS  26   2.449  -6.928   2.264
  212    HD2  HIS  26           HD2      HIS  26   1.676  -3.587   0.034
  213    HE1  HIS  26           HE1      HIS  26   0.364  -5.975   3.155
  214    H    SER  27           H        SER  27   6.923  -4.731   0.391
  215    HA   SER  27           HA       SER  27   8.161  -7.106  -0.905
  216   1HB   SER  27          2HB       SER  27   9.183  -4.224  -0.810
  217   2HB   SER  27          1HB       SER  27   9.735  -5.498  -1.896
  218    HG   SER  27           HG       SER  27   8.112  -5.052  -3.106
  219    H    LYS  28           H        LYS  28   7.949  -7.403   1.782
  220    HA   LYS  28           HA       LYS  28  10.767  -7.277   2.765
  221   1HB   LYS  28          1HB       LYS  28   8.177  -6.856   4.322
  222   2HB   LYS  28          2HB       LYS  28   9.716  -7.174   5.106
  223   1HG   LYS  28          2HG       LYS  28   9.195  -4.831   3.251
  224   2HG   LYS  28          1HG       LYS  28   9.116  -4.749   4.999
  225   1HD   LYS  28          2HD       LYS  28  11.541  -5.676   5.003
  226   2HD   LYS  28          1HD       LYS  28  11.568  -5.332   3.283
  227   1HE   LYS  28          2HE       LYS  28  11.044  -3.296   5.481
  228   2HE   LYS  28          1HE       LYS  28  12.514  -3.435   4.533
  229   1HZ   LYS  28          1HZ       LYS  28  10.186  -2.040   3.927
  230   2HZ   LYS  28          2HZ       LYS  28  10.360  -3.267   2.770
  231   3HZ   LYS  28          3HZ       LYS  28  11.617  -2.150   3.015
  232    H    GLU  29           H        GLU  29  11.556  -9.031   3.717
  233    HA   GLU  29           HA       GLU  29   9.832 -11.478   3.927
  234   1HB   GLU  29          1HB       GLU  29  12.728 -11.254   2.937
  235   2HB   GLU  29          2HB       GLU  29  11.941 -12.778   3.280
  236   1HG   GLU  29          2HG       GLU  29  11.543 -12.712   1.018
  237   2HG   GLU  29          1HG       GLU  29  10.125 -11.833   1.532
  238    H    LYS  30           H        LYS  30  10.072  -9.727   5.897
  239    HA   LYS  30           HA       LYS  30  11.879 -11.024   7.892
  240   1HB   LYS  30          1HB       LYS  30  11.093  -8.079   7.634
  241   2HB   LYS  30          2HB       LYS  30  11.975  -8.731   9.007
  242   1HG   LYS  30          2HG       LYS  30  12.929  -8.846   6.105
  243   2HG   LYS  30          1HG       LYS  30  13.427  -7.621   7.240
  244   1HD   LYS  30          2HD       LYS  30  13.921 -10.621   7.626
  245   2HD   LYS  30          1HD       LYS  30  15.090  -9.499   6.983
  246   1HE   LYS  30          2HE       LYS  30  13.867  -9.248   9.777
  247   2HE   LYS  30          1HE       LYS  30  15.440  -9.932   9.422
  248   1HZ   LYS  30          1HZ       LYS  30  15.292  -7.469   8.139
  249   2HZ   LYS  30          2HZ       LYS  30  16.281  -7.923   9.441
  250   3HZ   LYS  30          3HZ       LYS  30  14.752  -7.243   9.733
  Start of MODEL    6
    1   1H    LYS   1          1H        LYS   1 -10.776   8.180  -7.543
    2   2H    LYS   1          2H        LYS   1 -11.856   7.206  -8.415
    3   3H    LYS   1          3H        LYS   1 -10.240   7.333  -8.915
    4    HA   LYS   1           HA       LYS   1 -11.391   5.486  -7.168
    5   1HB   LYS   1          2HB       LYS   1  -8.487   6.018  -7.936
    6   2HB   LYS   1          1HB       LYS   1  -9.037   4.548  -7.175
    7   1HG   LYS   1          2HG       LYS   1 -10.774   4.872  -9.403
    8   2HG   LYS   1          1HG       LYS   1  -9.221   5.419  -9.994
    9   1HD   LYS   1          2HD       LYS   1  -9.385   3.042 -10.452
   10   2HD   LYS   1          1HD       LYS   1  -8.181   3.261  -9.199
   11   1HE   LYS   1          2HE       LYS   1  -9.721   1.377  -8.648
   12   2HE   LYS   1          1HE       LYS   1  -9.892   2.651  -7.458
   13   1HZ   LYS   1          1HZ       LYS   1 -11.853   1.546  -9.076
   14   2HZ   LYS   1          2HZ       LYS   1 -11.642   3.145  -9.602
   15   3HZ   LYS   1          3HZ       LYS   1 -12.003   2.834  -7.976
   16    H    THR   2           H        THR   2  -9.887   4.684  -5.313
   17    HA   THR   2           HA       THR   2  -9.545   6.913  -3.338
   18    HB   THR   2           HB       THR   2 -10.387   3.981  -2.875
   19    HG1  THR   2           HG1      THR   2 -12.264   4.829  -3.274
   20   1HG2  THR   2          1HG2      THR   2 -10.410   6.380  -0.943
   21   2HG2  THR   2          2HG2      THR   2  -9.291   5.034  -0.784
   22   3HG2  THR   2          3HG2      THR   2 -11.004   4.769  -0.583
   23    H    TYR   3           H        TYR   3  -8.045   6.053  -1.504
   24    HA   TYR   3           HA       TYR   3  -5.547   5.074  -2.806
   25   1HB   TYR   3          1HB       TYR   3  -5.861   6.603  -0.175
   26   2HB   TYR   3          2HB       TYR   3  -4.353   6.266  -1.004
   27    HD1  TYR   3           HD1      TYR   3  -7.623   8.035  -1.413
   28    HD2  TYR   3           HD2      TYR   3  -3.562   7.773  -2.666
   29    HE1  TYR   3           HE1      TYR   3  -7.889  10.093  -2.698
   30    HE2  TYR   3           HE2      TYR   3  -3.846   9.846  -3.963
   31    HH   TYR   3           HH       TYR   3  -6.918  11.596  -4.007
   32    H    GLN   4           H        GLN   4  -6.199   2.887  -2.642
   33    HA   GLN   4           HA       GLN   4  -6.012   1.739   0.126
   34   1HB   GLN   4          1HB       GLN   4  -8.292   1.470  -0.815
   35   2HB   GLN   4          2HB       GLN   4  -7.621   0.725  -2.261
   36   1HG   GLN   4          2HG       GLN   4  -6.774  -1.178  -0.913
   37   2HG   GLN   4          1HG       GLN   4  -7.350  -0.413   0.561
   38   1HE2  GLN   4          1HE2      GLN   4  -9.208  -1.408   1.242
   39   2HE2  GLN   4          2HE2      GLN   4 -10.450  -1.971   0.231
   40    H    CYS   5           H        CYS   5  -4.967  -0.250   0.310
   41    HA   CYS   5           HA       CYS   5  -2.543  -0.532  -1.177
   42   1HB   CYS   5          1HB       CYS   5  -2.738  -1.252   1.130
   43   2HB   CYS   5          2HB       CYS   5  -3.950  -2.460   0.695
   44    H    GLN   6           H        GLN   6  -1.859  -2.563  -2.227
   45    HA   GLN   6           HA       GLN   6  -4.004  -3.765  -3.947
   46   1HB   GLN   6          1HB       GLN   6  -1.136  -3.153  -4.776
   47   2HB   GLN   6          2HB       GLN   6  -2.440  -3.680  -5.824
   48   1HG   GLN   6          2HG       GLN   6  -3.645  -1.555  -5.474
   49   2HG   GLN   6          1HG       GLN   6  -2.438  -1.023  -4.316
   50   1HE2  GLN   6          2HE2      GLN   6  -0.647  -2.600  -6.668
   51   2HE2  GLN   6          1HE2      GLN   6  -0.311  -1.267  -7.662
   52    H    TYR   7           H        TYR   7  -2.609  -4.633  -1.411
   53    HA   TYR   7           HA       TYR   7  -1.822  -7.327  -2.393
   54   1HB   TYR   7          1HB       TYR   7  -0.241  -5.570  -0.537
   55   2HB   TYR   7          2HB       TYR   7   0.119  -7.278  -0.754
   56    HD1  TYR   7           HD1      TYR   7   0.544  -8.089  -3.174
   57    HD2  TYR   7           HD2      TYR   7   0.578  -3.964  -2.105
   58    HE1  TYR   7           HE1      TYR   7   1.766  -7.565  -5.229
   59    HE2  TYR   7           HE2      TYR   7   1.794  -3.453  -4.172
   60    HH   TYR   7           HH       TYR   7   2.818  -4.253  -5.947
   61    H    CYS   8           H        CYS   8  -2.440  -5.528   0.629
   62    HA   CYS   8           HA       CYS   8  -3.479  -8.087   1.788
   63   1HB   CYS   8          1HB       CYS   8  -3.097  -7.087   3.965
   64   2HB   CYS   8          2HB       CYS   8  -1.642  -7.100   3.019
   65    H    GLU   9           H        GLU   9  -4.182  -4.658   2.235
   66    HA   GLU   9           HA       GLU   9  -6.584  -4.031   1.404
   67   1HB   GLU   9          1HB       GLU   9  -8.366  -4.821   2.994
   68   2HB   GLU   9          2HB       GLU   9  -7.721  -6.145   2.078
   69   1HG   GLU   9          2HG       GLU   9  -6.166  -6.594   4.187
   70   2HG   GLU   9          1HG       GLU   9  -7.151  -5.414   5.012
   71    H    LEU  10           H        LEU  10  -4.601  -2.593   2.425
   72    HA   LEU  10           HA       LEU  10  -5.559  -1.470   5.034
   73   1HB   LEU  10          1HB       LEU  10  -3.157  -2.135   4.955
   74   2HB   LEU  10          2HB       LEU  10  -2.896  -1.099   3.555
   75    HG   LEU  10           HG       LEU  10  -4.101   0.251   5.972
   76   1HD1  LEU  10          1HD1      LEU  10  -1.928   0.476   7.104
   77   2HD1  LEU  10          2HD1      LEU  10  -1.166  -0.584   5.936
   78   3HD1  LEU  10          3HD1      LEU  10  -2.385  -1.213   7.029
   79   1HD2  LEU  10          1HD2      LEU  10  -3.450   1.507   3.867
   80   2HD2  LEU  10          2HD2      LEU  10  -1.794   0.989   4.096
   81   3HD2  LEU  10          3HD2      LEU  10  -2.548   2.058   5.262
   82    H    ARG  11           H        ARG  11  -5.830   0.803   5.126
   83    HA   ARG  11           HA       ARG  11  -6.485   2.076   2.505
   84   1HB   ARG  11          1HB       ARG  11  -8.238   3.341   3.851
   85   2HB   ARG  11          2HB       ARG  11  -8.523   1.618   3.675
   86   1HG   ARG  11          2HG       ARG  11  -7.484   1.215   5.921
   87   2HG   ARG  11          1HG       ARG  11  -7.208   2.935   6.105
   88   1HD   ARG  11          2HD       ARG  11  -9.624   3.350   6.186
   89   2HD   ARG  11          1HD       ARG  11  -9.952   1.665   5.777
   90    HE   ARG  11           HE       ARG  11  -8.842   1.014   7.906
   91   1HH1  ARG  11          2HH2      ARG  11  -9.321   4.422   7.632
   92   2HH1  ARG  11          1HH2      ARG  11  -9.679   4.612   9.315
   93   1HH2  ARG  11          1HH1      ARG  11  -9.523   1.191   9.976
   94   2HH2  ARG  11          2HH1      ARG  11  -9.783   2.756  10.673
   95    H    SER  12           H        SER  12  -6.087   4.113   2.115
   96    HA   SER  12           HA       SER  12  -4.545   5.788   4.022
   97   1HB   SER  12          2HB       SER  12  -3.949   5.332   1.038
   98   2HB   SER  12          1HB       SER  12  -3.077   6.466   2.085
   99    HG   SER  12           HG       SER  12  -2.742   3.845   1.842
  100    H    ALA  13           H        ALA  13  -4.469   8.069   2.849
  101    HA   ALA  13           HA       ALA  13  -7.213   8.693   1.811
  102   1HB   ALA  13          1HB       ALA  13  -6.942   9.442   4.169
  103   2HB   ALA  13          2HB       ALA  13  -7.074  10.826   3.095
  104   3HB   ALA  13          3HB       ALA  13  -5.501  10.346   3.724
  105    H    ASP  14           H        ASP  14  -3.822   9.540   1.873
  106    HA   ASP  14           HA       ASP  14  -4.153  10.953  -0.738
  107   1HB   ASP  14          1HB       ASP  14  -3.822  12.584   1.008
  108   2HB   ASP  14          2HB       ASP  14  -2.501  11.674   1.703
  109    H    SER  15           H        SER  15  -2.206  11.118  -1.987
  110    HA   SER  15           HA       SER  15  -0.510   8.651  -1.878
  111   1HB   SER  15          2HB       SER  15  -1.996   8.664  -3.860
  112   2HB   SER  15          1HB       SER  15  -1.441  10.288  -4.304
  113    HG   SER  15           HG       SER  15   0.233   9.377  -5.155
  114    H    SER  16           H        SER  16   2.427  10.767  -2.194
  115    HA   SER  16           HA       SER  16   1.273   8.074  -2.675
  116   1HB   SER  16          2HB       SER  16   4.092   9.198  -2.792
  117   2HB   SER  16          1HB       SER  16   3.705   7.506  -3.110
  118    HG   SER  16           HG       SER  16   1.934   8.863  -4.434
  119    H    ASN  17           H        ASN  17   0.464   8.724  -0.294
  120    HA   ASN  17           HA       ASN  17   2.396   7.686   1.734
  121   1HB   ASN  17          1HB       ASN  17   1.084   9.832   2.165
  122   2HB   ASN  17          2HB       ASN  17  -0.395   8.884   2.113
  123   1HD2  ASN  17          1HD2      ASN  17  -1.113   8.278   4.136
  124   2HD2  ASN  17          2HD2      ASN  17  -0.120   8.016   5.489
  125    H    LEU  18           H        LEU  18   0.692   6.433  -0.463
  126    HA   LEU  18           HA       LEU  18  -0.616   4.197   1.012
  127   1HB   LEU  18          1HB       LEU  18  -2.007   5.625  -0.598
  128   2HB   LEU  18          2HB       LEU  18  -0.882   5.232  -1.894
  129    HG   LEU  18           HG       LEU  18  -2.997   3.534  -0.517
  130   1HD1  LEU  18          1HD1      LEU  18  -3.519   4.834  -2.570
  131   2HD1  LEU  18          2HD1      LEU  18  -3.649   3.109  -2.879
  132   3HD1  LEU  18          3HD1      LEU  18  -2.244   4.002  -3.428
  133   1HD2  LEU  18          1HD2      LEU  18  -2.192   1.510  -1.655
  134   2HD2  LEU  18          2HD2      LEU  18  -1.062   2.042  -0.431
  135   3HD2  LEU  18          3HD2      LEU  18  -0.734   2.358  -2.132
  136    H    LYS  19           H        LYS  19   1.303   5.189  -1.756
  137    HA   LYS  19           HA       LYS  19   2.442   2.710  -2.469
  138   1HB   LYS  19          1HB       LYS  19   3.305   5.592  -2.684
  139   2HB   LYS  19          2HB       LYS  19   4.486   4.368  -3.096
  140   1HG   LYS  19          2HG       LYS  19   3.283   5.067  -5.111
  141   2HG   LYS  19          1HG       LYS  19   2.918   3.394  -4.759
  142   1HD   LYS  19          2HD       LYS  19   0.743   4.135  -3.683
  143   2HD   LYS  19          1HD       LYS  19   1.110   5.786  -4.159
  144   1HE   LYS  19          2HE       LYS  19   0.780   3.402  -6.043
  145   2HE   LYS  19          1HE       LYS  19  -0.395   4.680  -5.805
  146   1HZ   LYS  19          1HZ       LYS  19   1.787   4.630  -7.537
  147   2HZ   LYS  19          2HZ       LYS  19   2.043   5.880  -6.418
  148   3HZ   LYS  19          3HZ       LYS  19   0.619   5.849  -7.339
  149    H    THR  20           H        THR  20   3.486   5.157  -0.124
  150    HA   THR  20           HA       THR  20   5.822   4.133   0.885
  151    HB   THR  20           HB       THR  20   3.492   5.307   2.529
  152    HG1  THR  20           HG1      THR  20   5.579   6.884   1.885
  153   1HG2  THR  20          1HG2      THR  20   5.437   4.323   3.934
  154   2HG2  THR  20          2HG2      THR  20   5.311   6.069   4.051
  155   3HG2  THR  20          3HG2      THR  20   6.535   5.344   3.023
  156    H    HIS  21           H        HIS  21   2.558   3.164   1.915
  157    HA   HIS  21           HA       HIS  21   3.304   1.162   3.791
  158   1HB   HIS  21          1HB       HIS  21   1.000   1.879   3.799
  159   2HB   HIS  21          2HB       HIS  21   0.805   1.593   2.082
  160    HD1  HIS  21           HD1      HIS  21   1.109  -0.388   5.253
  161    HD2  HIS  21           HD2      HIS  21   0.064  -0.943   1.347
  162    HE1  HIS  21           HE1      HIS  21   0.176  -2.677   5.101
  163    H    ILE  22           H        ILE  22   2.108   0.705   0.525
  164    HA   ILE  22           HA       ILE  22   2.544  -1.966   0.071
  165    HB   ILE  22           HB       ILE  22   2.942   0.396  -1.822
  166   1HG1  ILE  22          2HG1      ILE  22   0.612  -1.549  -1.476
  167   2HG1  ILE  22          1HG1      ILE  22   0.663   0.048  -0.758
  168   1HG2  ILE  22          1HG2      ILE  22   4.139  -1.567  -2.761
  169   2HG2  ILE  22          2HG2      ILE  22   2.692  -1.267  -3.689
  170   3HG2  ILE  22          3HG2      ILE  22   2.723  -2.566  -2.506
  171   1HD1  ILE  22          1HD       ILE  22   0.708  -0.532  -3.753
  172   2HD1  ILE  22          2HD       ILE  22   0.790   1.063  -3.033
  173   3HD1  ILE  22          3HD       ILE  22  -0.656   0.081  -2.852
  174    H    LYS  23           H        LYS  23   4.870   0.467  -0.805
  175    HA   LYS  23           HA       LYS  23   7.058  -0.857  -1.624
  176   1HB   LYS  23          1HB       LYS  23   7.075   1.501  -1.598
  177   2HB   LYS  23          2HB       LYS  23   6.722   1.593   0.109
  178   1HG   LYS  23          2HG       LYS  23   9.048   2.252  -0.391
  179   2HG   LYS  23          1HG       LYS  23   8.991   0.869   0.675
  180   1HD   LYS  23          2HD       LYS  23   9.492  -0.641  -1.237
  181   2HD   LYS  23          1HD       LYS  23   9.425   0.718  -2.347
  182   1HE   LYS  23          2HE       LYS  23  11.783   0.172  -1.743
  183   2HE   LYS  23          1HE       LYS  23  11.353   1.767  -1.151
  184   1HZ   LYS  23          1HZ       LYS  23  10.681  -0.110   0.814
  185   2HZ   LYS  23          2HZ       LYS  23  11.836   1.128   0.873
  186   3HZ   LYS  23          3HZ       LYS  23  12.271  -0.415   0.306
  187    H    THR  24           H        THR  24   6.695   0.029   1.738
  188    HA   THR  24           HA       THR  24   8.797  -1.571   2.702
  189    HB   THR  24           HB       THR  24   6.503  -0.346   4.310
  190    HG1  THR  24           HG1      THR  24   7.256   1.195   3.046
  191   1HG2  THR  24          1HG2      THR  24   9.503  -0.693   4.924
  192   2HG2  THR  24          2HG2      THR  24   8.251  -1.714   5.608
  193   3HG2  THR  24          3HG2      THR  24   8.299  -0.007   6.000
  194    H    LYS  25           H        LYS  25   5.405  -2.248   2.967
  195    HA   LYS  25           HA       LYS  25   6.029  -4.750   4.427
  196   1HB   LYS  25          1HB       LYS  25   3.384  -3.448   3.780
  197   2HB   LYS  25          2HB       LYS  25   3.599  -4.861   4.809
  198   1HG   LYS  25          2HG       LYS  25   4.304  -3.648   6.580
  199   2HG   LYS  25          1HG       LYS  25   5.387  -2.649   5.633
  200   1HD   LYS  25          2HD       LYS  25   3.355  -1.361   4.810
  201   2HD   LYS  25          1HD       LYS  25   2.380  -2.317   5.920
  202   1HE   LYS  25          2HE       LYS  25   3.630  -1.448   7.843
  203   2HE   LYS  25          1HE       LYS  25   4.734  -0.594   6.771
  204   1HZ   LYS  25          1HZ       LYS  25   3.362   1.094   6.757
  205   2HZ   LYS  25          2HZ       LYS  25   2.285   0.267   7.778
  206   3HZ   LYS  25          3HZ       LYS  25   2.130   0.137   6.090
  207    H    HIS  26           H        HIS  26   5.536  -4.019   1.170
  208    HA   HIS  26           HA       HIS  26   4.793  -6.881   0.676
  209   1HB   HIS  26          1HB       HIS  26   3.820  -4.450  -0.867
  210   2HB   HIS  26          2HB       HIS  26   3.508  -6.118  -1.314
  211    HD1  HIS  26           HD1      HIS  26   2.686  -7.350   1.277
  212    HD2  HIS  26           HD2      HIS  26   1.497  -3.568   0.322
  213    HE1  HIS  26           HE1      HIS  26   0.679  -6.895   2.632
  214    H    SER  27           H        SER  27   6.559  -4.114  -0.590
  215    HA   SER  27           HA       SER  27   8.119  -6.055  -2.279
  216   1HB   SER  27          2HB       SER  27   8.370  -4.173  -3.942
  217   2HB   SER  27          1HB       SER  27   6.679  -4.609  -3.668
  218    HG   SER  27           HG       SER  27   7.975  -2.316  -3.077
  219    H    LYS  28           H        LYS  28   9.011  -5.502   0.328
  220    HA   LYS  28           HA       LYS  28  11.638  -4.265  -0.321
  221   1HB   LYS  28          1HB       LYS  28  10.093  -2.566   0.848
  222   2HB   LYS  28          2HB       LYS  28  10.169  -3.586   2.277
  223   1HG   LYS  28          2HG       LYS  28  12.539  -2.308   0.845
  224   2HG   LYS  28          1HG       LYS  28  11.744  -1.610   2.237
  225   1HD   LYS  28          2HD       LYS  28  12.398  -3.635   3.581
  226   2HD   LYS  28          1HD       LYS  28  13.300  -4.227   2.195
  227   1HE   LYS  28          2HE       LYS  28  14.675  -2.169   2.153
  228   2HE   LYS  28          1HE       LYS  28  13.825  -1.575   3.568
  229   1HZ   LYS  28          1HZ       LYS  28  14.697  -4.170   4.115
  230   2HZ   LYS  28          2HZ       LYS  28  15.196  -2.709   4.824
  231   3HZ   LYS  28          3HZ       LYS  28  16.004  -3.307   3.457
  232    H    GLU  29           H        GLU  29   9.824  -5.687   2.248
  233    HA   GLU  29           HA       GLU  29  12.097  -7.504   2.951
  234   1HB   GLU  29          1HB       GLU  29  11.109  -7.585   5.208
  235   2HB   GLU  29          2HB       GLU  29  11.458  -5.939   4.714
  236   1HG   GLU  29          2HG       GLU  29   8.975  -5.792   3.945
  237   2HG   GLU  29          1HG       GLU  29   8.734  -7.308   4.782
  238    H    LYS  30           H        LYS  30   8.623  -7.434   2.551
  239    HA   LYS  30           HA       LYS  30   7.120  -9.306   2.848
  240   1HB   LYS  30          1HB       LYS  30   7.126  -8.247   0.677
  241   2HB   LYS  30          2HB       LYS  30   8.417  -9.304   0.104
  242   1HG   LYS  30          2HG       LYS  30   6.330 -10.120  -0.791
  243   2HG   LYS  30          1HG       LYS  30   6.859 -11.271   0.416
  244   1HD   LYS  30          2HD       LYS  30   5.299 -10.240   2.076
  245   2HD   LYS  30          1HD       LYS  30   4.791  -9.073   0.864
  246   1HE   LYS  30          2HE       LYS  30   4.013 -10.961  -0.587
  247   2HE   LYS  30          1HE       LYS  30   4.489 -12.098   0.666
  248   1HZ   LYS  30          1HZ       LYS  30   2.899 -10.118   1.829
  249   2HZ   LYS  30          2HZ       LYS  30   2.573 -11.777   1.647
  250   3HZ   LYS  30          3HZ       LYS  30   2.110 -10.680   0.433
  Start of MODEL    7
    1   1H    LYS   1          1H        LYS   1 -12.287   9.703  -3.326
    2   2H    LYS   1          2H        LYS   1 -12.916  10.688  -2.092
    3   3H    LYS   1          3H        LYS   1 -11.972   9.333  -1.696
    4    HA   LYS   1           HA       LYS   1 -10.490  10.933  -3.449
    5   1HB   LYS   1          2HB       LYS   1 -11.739  12.350  -1.062
    6   2HB   LYS   1          1HB       LYS   1 -10.347  12.982  -1.911
    7   1HG   LYS   1          2HG       LYS   1 -11.591  13.171  -4.006
    8   2HG   LYS   1          1HG       LYS   1 -12.981  12.353  -3.322
    9   1HD   LYS   1          2HD       LYS   1 -11.901  15.004  -2.271
   10   2HD   LYS   1          1HD       LYS   1 -13.189  14.888  -3.452
   11   1HE   LYS   1          2HE       LYS   1 -14.535  13.532  -1.798
   12   2HE   LYS   1          1HE       LYS   1 -13.268  13.768  -0.602
   13   1HZ   LYS   1          1HZ       LYS   1 -13.896  16.251  -1.708
   14   2HZ   LYS   1          2HZ       LYS   1 -14.134  15.704  -0.114
   15   3HZ   LYS   1          3HZ       LYS   1 -15.350  15.488  -1.278
   16    H    THR   2           H        THR   2 -10.351   8.541  -2.043
   17    HA   THR   2           HA       THR   2  -8.018   9.014  -0.241
   18    HB   THR   2           HB       THR   2 -10.262   6.954   0.211
   19    HG1  THR   2           HG1      THR   2  -9.844   8.901   2.065
   20   1HG2  THR   2          1HG2      THR   2  -8.012   6.295   1.272
   21   2HG2  THR   2          2HG2      THR   2  -9.246   6.676   2.449
   22   3HG2  THR   2          3HG2      THR   2  -8.005   7.858   2.068
   23    H    TYR   3           H        TYR   3  -6.829   6.908   0.047
   24    HA   TYR   3           HA       TYR   3  -6.643   5.398  -2.539
   25   1HB   TYR   3          1HB       TYR   3  -4.465   6.586  -0.793
   26   2HB   TYR   3          2HB       TYR   3  -4.124   5.278  -1.907
   27    HD1  TYR   3           HD1      TYR   3  -5.792   8.666  -1.830
   28    HD2  TYR   3           HD2      TYR   3  -3.677   5.785  -4.157
   29    HE1  TYR   3           HE1      TYR   3  -5.704  10.226  -3.698
   30    HE2  TYR   3           HE2      TYR   3  -3.596   7.348  -6.018
   31    HH   TYR   3           HH       TYR   3  -5.289  10.425  -5.920
   32    H    GLN   4           H        GLN   4  -6.222   3.242  -2.456
   33    HA   GLN   4           HA       GLN   4  -6.032   1.907   0.202
   34   1HB   GLN   4          1HB       GLN   4  -8.381   1.870  -0.335
   35   2HB   GLN   4          2HB       GLN   4  -8.055   1.399  -2.003
   36   1HG   GLN   4          2HG       GLN   4  -7.438  -0.823  -1.362
   37   2HG   GLN   4          1HG       GLN   4  -7.331  -0.387   0.340
   38   1HE2  GLN   4          2HE2      GLN   4  -8.980  -1.434   1.323
   39   2HE2  GLN   4          1HE2      GLN   4 -10.615  -1.422   0.849
   40    H    CYS   5           H        CYS   5  -5.349  -0.289   0.112
   41    HA   CYS   5           HA       CYS   5  -3.351  -0.778  -2.025
   42   1HB   CYS   5          1HB       CYS   5  -2.604  -0.795   0.360
   43   2HB   CYS   5          2HB       CYS   5  -3.736  -2.111   0.669
   44    H    GLN   6           H        GLN   6  -3.337  -2.573  -3.226
   45    HA   GLN   6           HA       GLN   6  -5.652  -4.464  -2.997
   46   1HB   GLN   6          1HB       GLN   6  -4.176  -3.526  -5.509
   47   2HB   GLN   6          2HB       GLN   6  -5.542  -4.625  -5.489
   48   1HG   GLN   6          2HG       GLN   6  -5.630  -1.711  -4.576
   49   2HG   GLN   6          1HG       GLN   6  -6.229  -2.293  -6.112
   50   1HE2  GLN   6          1HE2      GLN   6  -8.382  -2.953  -6.168
   51   2HE2  GLN   6          2HE2      GLN   6  -9.335  -3.238  -4.796
   52    H    TYR   7           H        TYR   7  -3.445  -4.824  -1.585
   53    HA   TYR   7           HA       TYR   7  -2.172  -7.251  -2.775
   54   1HB   TYR   7          1HB       TYR   7  -0.857  -5.099  -1.032
   55   2HB   TYR   7          2HB       TYR   7  -0.119  -6.649  -1.390
   56    HD1  TYR   7           HD1      TYR   7   0.287  -7.260  -3.858
   57    HD2  TYR   7           HD2      TYR   7  -0.646  -3.298  -2.599
   58    HE1  TYR   7           HE1      TYR   7   1.173  -6.372  -5.963
   59    HE2  TYR   7           HE2      TYR   7   0.236  -2.423  -4.692
   60    HH   TYR   7           HH       TYR   7   1.645  -4.571  -7.150
   61    H    CYS   8           H        CYS   8  -2.972  -5.415   0.117
   62    HA   CYS   8           HA       CYS   8  -3.468  -7.985   1.578
   63   1HB   CYS   8          1HB       CYS   8  -2.924  -6.770   3.622
   64   2HB   CYS   8          2HB       CYS   8  -1.592  -6.794   2.506
   65    H    GLU   9           H        GLU   9  -4.473  -4.586   1.489
   66    HA   GLU   9           HA       GLU   9  -7.076  -4.490   1.002
   67   1HB   GLU   9          1HB       GLU   9  -8.382  -4.807   3.114
   68   2HB   GLU   9          2HB       GLU   9  -7.738  -6.310   2.540
   69   1HG   GLU   9          2HG       GLU   9  -5.772  -5.925   4.239
   70   2HG   GLU   9          1HG       GLU   9  -6.694  -4.569   4.844
   71    H    LEU  10           H        LEU  10  -4.975  -3.703   3.682
   72    HA   LEU  10           HA       LEU  10  -5.880  -1.595   5.004
   73   1HB   LEU  10          1HB       LEU  10  -3.633  -2.441   5.262
   74   2HB   LEU  10          2HB       LEU  10  -3.149  -1.818   3.685
   75    HG   LEU  10           HG       LEU  10  -4.169   0.190   5.714
   76   1HD1  LEU  10          1HD1      LEU  10  -1.362  -0.994   5.787
   77   2HD1  LEU  10          2HD1      LEU  10  -2.593  -1.237   7.014
   78   3HD1  LEU  10          3HD1      LEU  10  -1.936   0.368   6.727
   79   1HD2  LEU  10          1HD2      LEU  10  -1.857   0.201   3.702
   80   2HD2  LEU  10          2HD2      LEU  10  -2.422   1.589   4.610
   81   3HD2  LEU  10          3HD2      LEU  10  -3.421   0.885   3.361
   82    H    ARG  11           H        ARG  11  -5.882   0.631   5.001
   83    HA   ARG  11           HA       ARG  11  -6.152   1.941   2.323
   84   1HB   ARG  11          1HB       ARG  11  -7.702   2.427   4.894
   85   2HB   ARG  11          2HB       ARG  11  -7.852   3.423   3.458
   86   1HG   ARG  11          2HG       ARG  11  -8.483   1.382   2.132
   87   2HG   ARG  11          1HG       ARG  11  -8.433   0.433   3.603
   88   1HD   ARG  11          2HD       ARG  11 -10.225   1.798   4.598
   89   2HD   ARG  11          1HD       ARG  11 -10.240   2.854   3.185
   90    HE   ARG  11           HE       ARG  11 -10.951  -0.057   3.107
   91   1HH1  ARG  11          2HH2      ARG  11 -10.266   1.489   0.589
   92   2HH1  ARG  11          1HH2      ARG  11 -11.840   1.934   0.008
   93   1HH2  ARG  11          2HH1      ARG  11 -13.378   1.221   3.077
   94   2HH2  ARG  11          1HH1      ARG  11 -13.646   1.782   1.460
   95    H    SER  12           H        SER  12  -5.499   4.032   2.157
   96    HA   SER  12           HA       SER  12  -3.627   5.140   4.201
   97   1HB   SER  12          2HB       SER  12  -3.337   5.106   1.132
   98   2HB   SER  12          1HB       SER  12  -2.224   5.901   2.254
   99    HG   SER  12           HG       SER  12  -2.274   3.380   1.539
  100    H    ALA  13           H        ALA  13  -3.186   7.538   2.831
  101    HA   ALA  13           HA       ALA  13  -5.891   8.814   2.996
  102   1HB   ALA  13          1HB       ALA  13  -4.270   9.616   4.683
  103   2HB   ALA  13          2HB       ALA  13  -4.618  10.899   3.536
  104   3HB   ALA  13          3HB       ALA  13  -3.111  10.000   3.425
  105    H    ASP  14           H        ASP  14  -2.762   9.442   1.442
  106    HA   ASP  14           HA       ASP  14  -4.188  10.001  -1.132
  107   1HB   ASP  14          1HB       ASP  14  -3.396  12.104  -0.125
  108   2HB   ASP  14          2HB       ASP  14  -1.775  11.462   0.044
  109    H    SER  15           H        SER  15  -2.609   9.892  -2.984
  110    HA   SER  15           HA       SER  15  -1.613   7.335  -3.423
  111   1HB   SER  15          2HB       SER  15  -1.947   9.130  -5.215
  112   2HB   SER  15          1HB       SER  15  -0.472   9.914  -4.648
  113    HG   SER  15           HG       SER  15  -0.734   7.767  -6.213
  114    H    SER  16           H        SER  16   0.166  10.202  -2.507
  115    HA   SER  16           HA       SER  16   2.761   9.372  -2.223
  116   1HB   SER  16          2HB       SER  16   2.873  11.104  -0.335
  117   2HB   SER  16          1HB       SER  16   2.099  11.687  -1.815
  118    HG   SER  16           HG       SER  16   0.277  10.417  -0.325
  119    H    ASN  17           H        ASN  17   0.275   9.081   0.292
  120    HA   ASN  17           HA       ASN  17   1.973   7.707   2.149
  121   1HB   ASN  17          1HB       ASN  17  -0.091   8.902   2.855
  122   2HB   ASN  17          2HB       ASN  17  -1.069   7.715   2.007
  123   1HD2  ASN  17          1HD2      ASN  17   1.837   6.436   3.510
  124   2HD2  ASN  17          2HD2      ASN  17   1.065   5.739   4.848
  125    H    LEU  18           H        LEU  18  -0.575   6.557  -0.053
  126    HA   LEU  18           HA       LEU  18  -0.524   3.817   0.511
  127   1HB   LEU  18          1HB       LEU  18  -1.856   5.223  -1.371
  128   2HB   LEU  18          2HB       LEU  18  -0.505   4.789  -2.410
  129    HG   LEU  18           HG       LEU  18  -2.531   2.926  -1.112
  130   1HD1  LEU  18          1HD1      LEU  18  -3.245   3.967  -3.223
  131   2HD1  LEU  18          2HD1      LEU  18  -2.935   2.268  -3.495
  132   3HD1  LEU  18          3HD1      LEU  18  -1.766   3.458  -4.015
  133   1HD2  LEU  18          1HD2      LEU  18  -1.390   1.031  -2.127
  134   2HD2  LEU  18          2HD2      LEU  18  -0.409   1.766  -0.888
  135   3HD2  LEU  18          3HD2      LEU  18  -0.042   2.054  -2.587
  136    H    LYS  19           H        LYS  19   1.631   5.568  -1.700
  137    HA   LYS  19           HA       LYS  19   3.338   3.482  -2.491
  138   1HB   LYS  19          1HB       LYS  19   4.055   6.353  -1.764
  139   2HB   LYS  19          2HB       LYS  19   5.159   5.234  -2.535
  140   1HG   LYS  19          2HG       LYS  19   3.680   4.996  -4.467
  141   2HG   LYS  19          1HG       LYS  19   2.431   5.942  -3.694
  142   1HD   LYS  19          2HD       LYS  19   3.680   7.267  -5.402
  143   2HD   LYS  19          1HD       LYS  19   3.796   7.965  -3.793
  144   1HE   LYS  19          2HE       LYS  19   5.959   6.107  -4.860
  145   2HE   LYS  19          1HE       LYS  19   5.990   7.836  -5.185
  146   1HZ   LYS  19          1HZ       LYS  19   6.803   6.478  -2.887
  147   2HZ   LYS  19          2HZ       LYS  19   5.496   7.475  -2.458
  148   3HZ   LYS  19          3HZ       LYS  19   6.864   8.145  -3.201
  149    H    THR  20           H        THR  20   3.752   5.619   0.310
  150    HA   THR  20           HA       THR  20   5.906   4.562   1.655
  151    HB   THR  20           HB       THR  20   3.369   5.090   3.333
  152    HG1  THR  20           HG1      THR  20   4.654   7.358   2.735
  153   1HG2  THR  20          1HG2      THR  20   4.971   6.328   4.738
  154   2HG2  THR  20          2HG2      THR  20   6.248   6.124   3.549
  155   3HG2  THR  20          3HG2      THR  20   5.643   4.737   4.439
  156    H    HIS  21           H        HIS  21   2.598   3.499   2.019
  157    HA   HIS  21           HA       HIS  21   3.005   1.263   3.680
  158   1HB   HIS  21          1HB       HIS  21   0.751   2.103   3.227
  159   2HB   HIS  21          2HB       HIS  21   0.887   1.771   1.519
  160    HD1  HIS  21           HD1      HIS  21   0.752  -0.167   4.731
  161    HD2  HIS  21           HD2      HIS  21   0.164  -0.703   0.733
  162    HE1  HIS  21           HE1      HIS  21  -0.179  -2.449   4.466
  163    H    ILE  22           H        ILE  22   2.427   1.027   0.184
  164    HA   ILE  22           HA       ILE  22   3.129  -1.559  -0.354
  165    HB   ILE  22           HB       ILE  22   3.998   0.844  -2.041
  166   1HG1  ILE  22          2HG1      ILE  22   1.627   1.003  -1.645
  167   2HG1  ILE  22          1HG1      ILE  22   1.900   0.539  -3.305
  168   1HG2  ILE  22          1HG2      ILE  22   3.580  -2.055  -2.887
  169   2HG2  ILE  22          2HG2      ILE  22   5.121  -1.217  -2.795
  170   3HG2  ILE  22          3HG2      ILE  22   3.917  -0.715  -3.968
  171   1HD1  ILE  22          1HD       ILE  22   1.089  -1.354  -1.051
  172   2HD1  ILE  22          2HD       ILE  22   1.390  -1.834  -2.709
  173   3HD1  ILE  22          3HD       ILE  22   0.047  -0.777  -2.331
  174    H    LYS  23           H        LYS  23   5.495   1.016  -0.738
  175    HA   LYS  23           HA       LYS  23   7.811  -0.305  -1.123
  176   1HB   LYS  23          1HB       LYS  23   7.234   2.140   0.583
  177   2HB   LYS  23          2HB       LYS  23   8.884   1.619   0.295
  178   1HG   LYS  23          2HG       LYS  23   6.885   2.156  -1.948
  179   2HG   LYS  23          1HG       LYS  23   7.998   3.373  -1.351
  180   1HD   LYS  23          2HD       LYS  23   9.935   1.887  -1.907
  181   2HD   LYS  23          1HD       LYS  23   8.842   0.675  -2.538
  182   1HE   LYS  23          2HE       LYS  23   9.020   3.494  -3.642
  183   2HE   LYS  23          1HE       LYS  23   9.838   2.100  -4.326
  184   1HZ   LYS  23          1HZ       LYS  23   7.204   2.925  -4.744
  185   2HZ   LYS  23          2HZ       LYS  23   7.150   1.421  -3.958
  186   3HZ   LYS  23          3HZ       LYS  23   8.015   1.597  -5.413
  187    H    THR  24           H        THR  24   6.604   0.309   2.165
  188    HA   THR  24           HA       THR  24   8.521  -1.785   3.091
  189    HB   THR  24           HB       THR  24   8.353  -0.611   5.343
  190    HG1  THR  24           HG1      THR  24   6.561   1.029   3.826
  191   1HG2  THR  24          1HG2      THR  24   9.323   1.569   4.698
  192   2HG2  THR  24          2HG2      THR  24   8.693   1.450   3.068
  193   3HG2  THR  24          3HG2      THR  24   9.987   0.387   3.588
  194    H    LYS  25           H        LYS  25   6.059  -2.643   2.029
  195    HA   LYS  25           HA       LYS  25   5.107  -4.240   4.327
  196   1HB   LYS  25          1HB       LYS  25   3.314  -2.549   2.514
  197   2HB   LYS  25          2HB       LYS  25   2.685  -3.871   3.479
  198   1HG   LYS  25          2HG       LYS  25   4.188  -1.481   4.650
  199   2HG   LYS  25          1HG       LYS  25   2.457  -1.615   4.586
  200   1HD   LYS  25          2HD       LYS  25   2.455  -3.629   5.977
  201   2HD   LYS  25          1HD       LYS  25   4.206  -3.641   6.049
  202   1HE   LYS  25          2HE       LYS  25   2.514  -1.327   7.071
  203   2HE   LYS  25          1HE       LYS  25   3.124  -2.629   8.077
  204   1HZ   LYS  25          1HZ       LYS  25   5.261  -1.658   6.595
  205   2HZ   LYS  25          2HZ       LYS  25   5.007  -1.543   8.264
  206   3HZ   LYS  25          3HZ       LYS  25   4.448  -0.311   7.241
  207    H    HIS  26           H        HIS  26   5.224  -3.636   0.939
  208    HA   HIS  26           HA       HIS  26   5.061  -6.552   0.325
  209   1HB   HIS  26          1HB       HIS  26   3.955  -4.258  -1.408
  210   2HB   HIS  26          2HB       HIS  26   3.791  -5.980  -1.712
  211    HD1  HIS  26           HD1      HIS  26   2.551  -7.172   0.534
  212    HD2  HIS  26           HD2      HIS  26   1.718  -3.237  -0.188
  213    HE1  HIS  26           HE1      HIS  26   0.449  -6.678   1.737
  214    H    SER  27           H        SER  27   5.742  -3.465  -1.068
  215    HA   SER  27           HA       SER  27   8.026  -2.608  -1.457
  216   1HB   SER  27          2HB       SER  27   9.661  -3.973  -2.725
  217   2HB   SER  27          1HB       SER  27   9.183  -4.902  -1.315
  218    HG   SER  27           HG       SER  27   8.480  -6.339  -2.646
  219    H    LYS  28           H        LYS  28   5.965  -4.526  -3.393
  220    HA   LYS  28           HA       LYS  28   4.548  -3.761  -5.184
  221   1HB   LYS  28          1HB       LYS  28   5.657  -1.387  -5.149
  222   2HB   LYS  28          2HB       LYS  28   6.957  -2.057  -6.131
  223   1HG   LYS  28          2HG       LYS  28   5.316  -2.720  -7.875
  224   2HG   LYS  28          1HG       LYS  28   4.024  -2.025  -6.932
  225   1HD   LYS  28          2HD       LYS  28   6.414  -0.415  -7.933
  226   2HD   LYS  28          1HD       LYS  28   4.924  -0.564  -8.832
  227   1HE   LYS  28          2HE       LYS  28   4.802   1.524  -7.648
  228   2HE   LYS  28          1HE       LYS  28   3.717   0.446  -6.795
  229   1HZ   LYS  28          1HZ       LYS  28   5.873   1.858  -5.788
  230   2HZ   LYS  28          2HZ       LYS  28   6.295   0.222  -5.691
  231   3HZ   LYS  28          3HZ       LYS  28   4.863   0.773  -4.963
  232    H    GLU  29           H        GLU  29   5.454  -5.988  -4.872
  233    HA   GLU  29           HA       GLU  29   6.761  -7.850  -5.511
  234   1HB   GLU  29          1HB       GLU  29   5.974  -8.531  -7.784
  235   2HB   GLU  29          2HB       GLU  29   4.685  -7.959  -6.747
  236   1HG   GLU  29          2HG       GLU  29   4.628  -5.784  -7.837
  237   2HG   GLU  29          1HG       GLU  29   6.026  -6.166  -8.823
  238    H    LYS  30           H        LYS  30   8.615  -6.198  -5.239
  239    HA   LYS  30           HA       LYS  30  10.946  -6.345  -5.682
  240   1HB   LYS  30          1HB       LYS  30  10.217  -6.359  -8.676
  241   2HB   LYS  30          2HB       LYS  30  11.834  -6.394  -7.993
  242   1HG   LYS  30          2HG       LYS  30  11.610  -8.537  -7.053
  243   2HG   LYS  30          1HG       LYS  30   9.880  -8.593  -7.257
  244   1HD   LYS  30          2HD       LYS  30  10.248  -8.489  -9.769
  245   2HD   LYS  30          1HD       LYS  30  11.974  -8.624  -9.472
  246   1HE   LYS  30          2HE       LYS  30  11.640 -10.794  -8.347
  247   2HE   LYS  30          1HE       LYS  30   9.898 -10.645  -8.543
  248   1HZ   LYS  30          1HZ       LYS  30  11.763 -11.663 -10.356
  249   2HZ   LYS  30          2HZ       LYS  30  11.078 -10.269 -11.042
  250   3HZ   LYS  30          3HZ       LYS  30  10.082 -11.544 -10.526
  Start of MODEL    8
    1   1H    LYS   1          1H        LYS   1 -13.397   7.202  -0.859
    2   2H    LYS   1          2H        LYS   1 -14.227   7.389  -2.328
    3   3H    LYS   1          3H        LYS   1 -14.757   8.214  -0.944
    4    HA   LYS   1           HA       LYS   1 -12.931   9.065  -2.883
    5   1HB   LYS   1          2HB       LYS   1 -13.103  11.181  -1.555
    6   2HB   LYS   1          1HB       LYS   1 -14.672  10.433  -1.761
    7   1HG   LYS   1          2HG       LYS   1 -14.447   9.396   0.549
    8   2HG   LYS   1          1HG       LYS   1 -12.919  10.217   0.751
    9   1HD   LYS   1          2HD       LYS   1 -14.563  11.555   1.870
   10   2HD   LYS   1          1HD       LYS   1 -14.120  12.424   0.418
   11   1HE   LYS   1          2HE       LYS   1 -16.183  11.517  -0.717
   12   2HE   LYS   1          1HE       LYS   1 -16.600  10.682   0.777
   13   1HZ   LYS   1          1HZ       LYS   1 -17.549  12.506   1.491
   14   2HZ   LYS   1          2HZ       LYS   1 -17.134  13.316   0.055
   15   3HZ   LYS   1          3HZ       LYS   1 -16.082  13.351   1.385
   16    H    THR   2           H        THR   2 -11.785   6.892  -1.639
   17    HA   THR   2           HA       THR   2  -9.342   8.075  -0.398
   18    HB   THR   2           HB       THR   2  -9.291   5.974   1.113
   19    HG1  THR   2           HG1      THR   2 -11.209   5.385  -0.671
   20   1HG2  THR   2          1HG2      THR   2 -10.530   8.100   1.939
   21   2HG2  THR   2          2HG2      THR   2 -11.198   6.601   2.564
   22   3HG2  THR   2          3HG2      THR   2 -11.994   7.427   1.240
   23    H    TYR   3           H        TYR   3  -7.708   6.228  -0.222
   24    HA   TYR   3           HA       TYR   3  -7.312   4.976  -2.917
   25   1HB   TYR   3          1HB       TYR   3  -5.410   6.325  -0.977
   26   2HB   TYR   3          2HB       TYR   3  -4.805   4.977  -1.927
   27    HD1  TYR   3           HD1      TYR   3  -6.896   8.063  -2.571
   28    HD2  TYR   3           HD2      TYR   3  -3.718   5.526  -3.850
   29    HE1  TYR   3           HE1      TYR   3  -6.515   9.517  -4.505
   30    HE2  TYR   3           HE2      TYR   3  -3.344   6.985  -5.789
   31    HH   TYR   3           HH       TYR   3  -4.025   8.766  -6.923
   32    H    GLN   4           H        GLN   4  -7.020   2.812  -2.875
   33    HA   GLN   4           HA       GLN   4  -6.826   1.451  -0.207
   34   1HB   GLN   4          1HB       GLN   4  -9.074   1.295  -1.344
   35   2HB   GLN   4          2HB       GLN   4  -8.296   0.510  -2.718
   36   1HG   GLN   4          2HG       GLN   4  -9.241  -1.244  -1.378
   37   2HG   GLN   4          1HG       GLN   4  -7.519  -1.313  -1.082
   38   1HE2  GLN   4          2HE2      GLN   4  -6.978  -1.436   1.097
   39   2HE2  GLN   4          1HE2      GLN   4  -7.953  -0.890   2.375
   40    H    CYS   5           H        CYS   5  -5.705  -0.543  -0.249
   41    HA   CYS   5           HA       CYS   5  -3.498  -0.677  -2.245
   42   1HB   CYS   5          1HB       CYS   5  -2.854  -0.593   0.164
   43   2HB   CYS   5          2HB       CYS   5  -3.851  -2.011   0.477
   44    H    GLN   6           H        GLN   6  -3.084  -2.623  -3.284
   45    HA   GLN   6           HA       GLN   6  -5.325  -4.616  -3.280
   46   1HB   GLN   6          1HB       GLN   6  -4.883  -4.893  -5.719
   47   2HB   GLN   6          2HB       GLN   6  -5.375  -3.273  -5.306
   48   1HG   GLN   6          2HG       GLN   6  -2.460  -4.064  -5.775
   49   2HG   GLN   6          1HG       GLN   6  -3.499  -3.363  -7.001
   50   1HE2  GLN   6          1HE2      GLN   6  -0.983  -2.301  -5.575
   51   2HE2  GLN   6          2HE2      GLN   6  -1.455  -0.782  -4.998
   52    H    TYR   7           H        TYR   7  -3.282  -4.818  -1.577
   53    HA   TYR   7           HA       TYR   7  -1.884  -7.293  -2.475
   54   1HB   TYR   7          1HB       TYR   7  -0.664  -5.025  -0.802
   55   2HB   TYR   7          2HB       TYR   7   0.172  -6.510  -1.222
   56    HD1  TYR   7           HD1      TYR   7  -0.362  -6.994  -3.985
   57    HD2  TYR   7           HD2      TYR   7   0.186  -3.212  -2.090
   58    HE1  TYR   7           HE1      TYR   7   0.272  -6.014  -6.127
   59    HE2  TYR   7           HE2      TYR   7   0.819  -2.243  -4.244
   60    HH   TYR   7           HH       TYR   7   0.696  -2.559  -6.484
   61    H    CYS   8           H        CYS   8  -2.712  -5.183   0.268
   62    HA   CYS   8           HA       CYS   8  -3.528  -7.574   1.836
   63   1HB   CYS   8          1HB       CYS   8  -2.844  -6.249   3.816
   64   2HB   CYS   8          2HB       CYS   8  -1.485  -6.424   2.752
   65    H    GLU   9           H        GLU   9  -4.304  -4.882   3.379
   66    HA   GLU   9           HA       GLU   9  -6.694  -4.059   1.846
   67   1HB   GLU   9          1HB       GLU   9  -6.854  -5.240   4.661
   68   2HB   GLU   9          2HB       GLU   9  -8.203  -4.506   3.811
   69   1HG   GLU   9          2HG       GLU   9  -7.955  -6.289   2.008
   70   2HG   GLU   9          1HG       GLU   9  -6.700  -7.033   2.988
   71    H    LEU  10           H        LEU  10  -4.661  -2.383   2.120
   72    HA   LEU  10           HA       LEU  10  -5.204  -0.753   4.568
   73   1HB   LEU  10          1HB       LEU  10  -2.791  -1.269   4.147
   74   2HB   LEU  10          2HB       LEU  10  -2.904  -0.452   2.596
   75    HG   LEU  10           HG       LEU  10  -3.740   1.649   3.947
   76   1HD1  LEU  10          1HD1      LEU  10  -4.284   0.456   6.052
   77   2HD1  LEU  10          2HD1      LEU  10  -3.095   1.709   6.332
   78   3HD1  LEU  10          3HD1      LEU  10  -2.594   0.029   6.247
   79   1HD2  LEU  10          1HD2      LEU  10  -1.560   1.610   2.929
   80   2HD2  LEU  10          2HD2      LEU  10  -0.920   0.781   4.342
   81   3HD2  LEU  10          3HD2      LEU  10  -1.544   2.410   4.490
   82    H    ARG  11           H        ARG  11  -5.928   1.213   4.504
   83    HA   ARG  11           HA       ARG  11  -6.277   2.546   1.890
   84   1HB   ARG  11          1HB       ARG  11  -8.531   3.272   2.795
   85   2HB   ARG  11          2HB       ARG  11  -8.414   1.670   2.138
   86   1HG   ARG  11          2HG       ARG  11  -9.704   1.332   4.087
   87   2HG   ARG  11          1HG       ARG  11  -8.105   0.848   4.592
   88   1HD   ARG  11          2HD       ARG  11  -9.317   2.269   6.259
   89   2HD   ARG  11          1HD       ARG  11  -7.787   2.978   5.800
   90    HE   ARG  11           HE       ARG  11 -10.443   3.831   4.686
   91   1HH1  ARG  11          2HH1      ARG  11  -8.700   5.116   6.959
   92   2HH1  ARG  11          1HH1      ARG  11  -8.105   6.509   6.110
   93   1HH2  ARG  11          1HH2      ARG  11  -9.061   5.259   2.983
   94   2HH2  ARG  11          2HH2      ARG  11  -8.308   6.582   3.805
   95    H    SER  12           H        SER  12  -6.290   4.623   1.864
   96    HA   SER  12           HA       SER  12  -5.862   6.263   4.310
   97   1HB   SER  12          2HB       SER  12  -3.554   5.694   3.548
   98   2HB   SER  12          1HB       SER  12  -3.949   6.220   1.903
   99    HG   SER  12           HG       SER  12  -3.267   7.705   4.044
  100    H    ALA  13           H        ALA  13  -5.789   8.634   3.631
  101    HA   ALA  13           HA       ALA  13  -8.033   9.121   1.739
  102   1HB   ALA  13          1HB       ALA  13  -8.154  10.101   4.034
  103   2HB   ALA  13          2HB       ALA  13  -8.099  11.363   2.811
  104   3HB   ALA  13          3HB       ALA  13  -6.660  10.975   3.742
  105    H    ASP  14           H        ASP  14  -4.678   9.183   1.942
  106    HA   ASP  14           HA       ASP  14  -4.391  10.935  -0.463
  107   1HB   ASP  14          1HB       ASP  14  -2.173  11.581   0.438
  108   2HB   ASP  14          2HB       ASP  14  -3.398  11.908   1.650
  109    H    SER  15           H        SER  15  -1.979  10.330  -1.263
  110    HA   SER  15           HA       SER  15  -1.913   7.362  -1.734
  111   1HB   SER  15          2HB       SER  15  -2.589   8.798  -3.746
  112   2HB   SER  15          1HB       SER  15  -0.985   9.541  -3.678
  113    HG   SER  15           HG       SER  15  -0.240   7.799  -4.560
  114    H    SER  16           H        SER  16  -0.177  10.348  -1.363
  115    HA   SER  16           HA       SER  16   2.450   9.942  -1.578
  116   1HB   SER  16          2HB       SER  16   2.772  11.414   0.486
  117   2HB   SER  16          1HB       SER  16   1.534  12.026  -0.618
  118    HG   SER  16           HG       SER  16   0.116  11.686   0.872
  119    H    ASN  17           H        ASN  17   0.707   8.661   1.264
  120    HA   ASN  17           HA       ASN  17   3.183   7.396   2.229
  121   1HB   ASN  17          1HB       ASN  17   1.874   6.592   4.120
  122   2HB   ASN  17          2HB       ASN  17   1.475   8.274   3.858
  123   1HD2  ASN  17          1HD2      ASN  17  -0.644   8.723   3.937
  124   2HD2  ASN  17          2HD2      ASN  17  -1.925   7.677   3.607
  125    H    LEU  18           H        LEU  18   0.176   6.377   0.624
  126    HA   LEU  18           HA       LEU  18   0.408   3.613   0.862
  127   1HB   LEU  18          1HB       LEU  18  -1.444   4.923  -0.367
  128   2HB   LEU  18          2HB       LEU  18  -0.365   5.011  -1.751
  129    HG   LEU  18           HG       LEU  18  -0.259   2.485  -1.789
  130   1HD1  LEU  18          1HD1      LEU  18  -2.430   2.689   0.352
  131   2HD1  LEU  18          2HD1      LEU  18  -0.824   2.044   0.626
  132   3HD1  LEU  18          3HD1      LEU  18  -1.916   1.221  -0.455
  133   1HD2  LEU  18          1HD2      LEU  18  -1.921   3.660  -3.177
  134   2HD2  LEU  18          2HD2      LEU  18  -3.080   3.599  -1.859
  135   3HD2  LEU  18          3HD2      LEU  18  -2.539   2.111  -2.622
  136    H    LYS  19           H        LYS  19   2.044   5.731  -1.360
  137    HA   LYS  19           HA       LYS  19   3.436   3.906  -3.003
  138   1HB   LYS  19          1HB       LYS  19   3.406   6.624  -2.826
  139   2HB   LYS  19          2HB       LYS  19   4.921   6.354  -2.000
  140   1HG   LYS  19          2HG       LYS  19   4.258   5.304  -4.788
  141   2HG   LYS  19          1HG       LYS  19   5.174   6.755  -4.465
  142   1HD   LYS  19          2HD       LYS  19   7.007   5.515  -3.482
  143   2HD   LYS  19          1HD       LYS  19   6.080   4.022  -3.468
  144   1HE   LYS  19          2HE       LYS  19   7.653   4.030  -5.359
  145   2HE   LYS  19          1HE       LYS  19   5.999   4.017  -5.941
  146   1HZ   LYS  19          1HZ       LYS  19   6.823   6.686  -5.657
  147   2HZ   LYS  19          2HZ       LYS  19   6.409   5.839  -7.069
  148   3HZ   LYS  19          3HZ       LYS  19   8.013   5.839  -6.521
  149    H    THR  20           H        THR  20   4.504   5.354   0.056
  150    HA   THR  20           HA       THR  20   6.874   3.807   0.409
  151    HB   THR  20           HB       THR  20   5.127   4.984   2.663
  152    HG1  THR  20           HG1      THR  20   6.326   6.100   0.536
  153   1HG2  THR  20          1HG2      THR  20   7.344   5.311   3.753
  154   2HG2  THR  20          2HG2      THR  20   8.186   4.715   2.337
  155   3HG2  THR  20          3HG2      THR  20   7.241   3.614   3.332
  156    H    HIS  21           H        HIS  21   3.670   3.416   1.805
  157    HA   HIS  21           HA       HIS  21   3.751   1.210   3.364
  158   1HB   HIS  21          1HB       HIS  21   1.621   2.290   2.946
  159   2HB   HIS  21          2HB       HIS  21   1.663   1.898   1.247
  160    HD1  HIS  21           HD1      HIS  21   1.544  -0.030   4.471
  161    HD2  HIS  21           HD2      HIS  21   0.431  -0.396   0.556
  162    HE1  HIS  21           HE1      HIS  21   0.303  -2.163   4.294
  163    H    ILE  22           H        ILE  22   3.251   0.907  -0.141
  164    HA   ILE  22           HA       ILE  22   3.491  -1.897  -0.341
  165    HB   ILE  22           HB       ILE  22   4.341   0.256  -2.356
  166   1HG1  ILE  22          2HG1      ILE  22   1.751  -1.341  -2.356
  167   2HG1  ILE  22          1HG1      ILE  22   1.854   0.153  -1.452
  168   1HG2  ILE  22          1HG2      ILE  22   4.032  -1.565  -4.074
  169   2HG2  ILE  22          2HG2      ILE  22   3.704  -2.712  -2.791
  170   3HG2  ILE  22          3HG2      ILE  22   5.297  -1.987  -2.944
  171   1HD1  ILE  22          1HD       ILE  22   2.372  -0.117  -4.456
  172   2HD1  ILE  22          2HD       ILE  22   2.491   1.371  -3.525
  173   3HD1  ILE  22          3HD       ILE  22   0.944   0.575  -3.716
  174    H    LYS  23           H        LYS  23   6.024   0.486  -0.931
  175    HA   LYS  23           HA       LYS  23   8.249  -1.090  -1.299
  176   1HB   LYS  23          1HB       LYS  23   7.984   1.424  -1.350
  177   2HB   LYS  23          2HB       LYS  23   8.249   1.440   0.383
  178   1HG   LYS  23          2HG       LYS  23  10.465   0.267   0.003
  179   2HG   LYS  23          1HG       LYS  23  10.217   0.472  -1.718
  180   1HD   LYS  23          2HD       LYS  23  10.351   2.787   0.274
  181   2HD   LYS  23          1HD       LYS  23  11.682   2.249  -0.732
  182   1HE   LYS  23          2HE       LYS  23  10.677   4.180  -1.771
  183   2HE   LYS  23          1HE       LYS  23  10.212   2.802  -2.755
  184   1HZ   LYS  23          1HZ       LYS  23   8.308   3.174  -0.722
  185   2HZ   LYS  23          2HZ       LYS  23   8.106   3.299  -2.402
  186   3HZ   LYS  23          3HZ       LYS  23   8.569   4.654  -1.492
  187    H    THR  24           H        THR  24   6.883  -0.177   1.783
  188    HA   THR  24           HA       THR  24   8.880  -1.640   3.307
  189    HB   THR  24           HB       THR  24   6.471  -0.024   4.301
  190    HG1  THR  24           HG1      THR  24   8.928   1.073   4.495
  191   1HG2  THR  24          1HG2      THR  24   7.612  -1.461   6.109
  192   2HG2  THR  24          2HG2      THR  24   7.832   0.262   6.352
  193   3HG2  THR  24          3HG2      THR  24   9.135  -0.704   5.691
  194    H    LYS  25           H        LYS  25   5.483  -2.218   2.849
  195    HA   LYS  25           HA       LYS  25   5.763  -4.622   4.607
  196   1HB   LYS  25          1HB       LYS  25   3.225  -3.225   3.717
  197   2HB   LYS  25          2HB       LYS  25   3.340  -4.553   4.868
  198   1HG   LYS  25          2HG       LYS  25   4.974  -2.981   6.195
  199   2HG   LYS  25          1HG       LYS  25   4.398  -1.704   5.151
  200   1HD   LYS  25          2HD       LYS  25   3.079  -1.580   7.147
  201   2HD   LYS  25          1HD       LYS  25   2.031  -2.260   5.913
  202   1HE   LYS  25          2HE       LYS  25   2.450  -4.560   6.804
  203   2HE   LYS  25          1HE       LYS  25   3.580  -3.896   7.975
  204   1HZ   LYS  25          1HZ       LYS  25   1.913  -3.548   9.325
  205   2HZ   LYS  25          2HZ       LYS  25   0.816  -4.168   8.186
  206   3HZ   LYS  25          3HZ       LYS  25   1.173  -2.509   8.205
  207    H    HIS  26           H        HIS  26   5.827  -4.042   1.332
  208    HA   HIS  26           HA       HIS  26   4.702  -6.774   0.821
  209   1HB   HIS  26          1HB       HIS  26   4.420  -4.284  -0.916
  210   2HB   HIS  26          2HB       HIS  26   3.963  -5.894  -1.430
  211    HD1  HIS  26           HD1      HIS  26   2.655  -6.907   1.114
  212    HD2  HIS  26           HD2      HIS  26   1.932  -3.149  -0.291
  213    HE1  HIS  26           HE1      HIS  26   0.503  -6.215   2.087
  214    H    SER  27           H        SER  27   7.107  -4.435  -0.304
  215    HA   SER  27           HA       SER  27   8.377  -6.574  -1.943
  216   1HB   SER  27          2HB       SER  27   9.952  -4.670  -2.628
  217   2HB   SER  27          1HB       SER  27   8.251  -4.383  -3.016
  218    HG   SER  27           HG       SER  27   9.853  -3.016  -1.365
  219    H    LYS  28           H        LYS  28   9.788  -4.188   0.320
  220    HA   LYS  28           HA       LYS  28  11.523  -6.368   1.428
  221   1HB   LYS  28          1HB       LYS  28  13.274  -4.611   1.743
  222   2HB   LYS  28          2HB       LYS  28  12.816  -4.768   0.046
  223   1HG   LYS  28          2HG       LYS  28  11.436  -2.769   0.169
  224   2HG   LYS  28          1HG       LYS  28  11.646  -2.648   1.900
  225   1HD   LYS  28          2HD       LYS  28  13.147  -1.023   0.980
  226   2HD   LYS  28          1HD       LYS  28  14.174  -2.366   1.432
  227   1HE   LYS  28          2HE       LYS  28  13.093  -2.011  -1.395
  228   2HE   LYS  28          1HE       LYS  28  14.640  -1.373  -0.875
  229   1HZ   LYS  28          1HZ       LYS  28  15.533  -3.316  -1.268
  230   2HZ   LYS  28          2HZ       LYS  28  14.031  -3.952  -1.726
  231   3HZ   LYS  28          3HZ       LYS  28  14.541  -4.048  -0.107
  232    H    GLU  29           H        GLU  29  12.486  -5.214   3.620
  233    HA   GLU  29           HA       GLU  29  10.057  -4.434   5.213
  234   1HB   GLU  29          1HB       GLU  29  12.619  -5.885   6.057
  235   2HB   GLU  29          2HB       GLU  29  11.359  -5.400   7.165
  236   1HG   GLU  29          2HG       GLU  29  11.084  -7.770   6.616
  237   2HG   GLU  29          1HG       GLU  29   9.726  -6.861   5.981
  238    H    LYS  30           H        LYS  30  11.299  -2.667   3.708
  239    HA   LYS  30           HA       LYS  30  13.296  -1.060   3.997
  240   1HB   LYS  30          1HB       LYS  30  11.125  -0.470   2.865
  241   2HB   LYS  30          2HB       LYS  30  10.515   0.058   4.425
  242   1HG   LYS  30          2HG       LYS  30  12.224   1.765   4.631
  243   2HG   LYS  30          1HG       LYS  30  13.043   1.161   3.196
  244   1HD   LYS  30          2HD       LYS  30  11.089   1.754   1.824
  245   2HD   LYS  30          1HD       LYS  30  10.230   2.331   3.236
  246   1HE   LYS  30          2HE       LYS  30  11.311   4.211   1.964
  247   2HE   LYS  30          1HE       LYS  30  11.886   4.097   3.619
  248   1HZ   LYS  30          1HZ       LYS  30  13.501   2.478   1.995
  249   2HZ   LYS  30          2HZ       LYS  30  13.921   3.867   2.868
  250   3HZ   LYS  30          3HZ       LYS  30  13.371   4.003   1.268
  Start of MODEL    9
    1   1H    LYS   1          1H        LYS   1 -13.147   9.797  -4.261
    2   2H    LYS   1          2H        LYS   1 -12.849   8.338  -3.445
    3   3H    LYS   1          3H        LYS   1 -12.762   8.397  -5.141
    4    HA   LYS   1           HA       LYS   1 -10.642   8.843  -5.041
    5   1HB   LYS   1          2HB       LYS   1 -11.716  11.234  -3.497
    6   2HB   LYS   1          1HB       LYS   1  -9.998  11.083  -3.758
    7   1HG   LYS   1          2HG       LYS   1 -12.117  11.142  -5.956
    8   2HG   LYS   1          1HG       LYS   1 -11.113  12.499  -5.505
    9   1HD   LYS   1          2HD       LYS   1 -10.155   9.870  -6.754
   10   2HD   LYS   1          1HD       LYS   1 -10.181  11.441  -7.511
   11   1HE   LYS   1          2HE       LYS   1  -8.437  10.698  -5.118
   12   2HE   LYS   1          1HE       LYS   1  -7.895  10.897  -6.771
   13   1HZ   LYS   1          1HZ       LYS   1  -8.223  12.851  -4.811
   14   2HZ   LYS   1          2HZ       LYS   1  -9.309  13.194  -6.072
   15   3HZ   LYS   1          3HZ       LYS   1  -7.649  13.027  -6.399
   16    H    THR   2           H        THR   2 -10.782   6.855  -3.730
   17    HA   THR   2           HA       THR   2  -9.497   7.247  -1.042
   18    HB   THR   2           HB       THR   2 -10.993   4.746  -2.012
   19    HG1  THR   2           HG1      THR   2 -12.710   5.879  -1.551
   20   1HG2  THR   2          1HG2      THR   2 -11.138   4.254   0.417
   21   2HG2  THR   2          2HG2      THR   2 -10.337   5.766   0.812
   22   3HG2  THR   2          3HG2      THR   2  -9.449   4.474   0.022
   23    H    TYR   3           H        TYR   3  -7.976   5.581  -0.562
   24    HA   TYR   3           HA       TYR   3  -6.452   4.546  -2.922
   25   1HB   TYR   3          1HB       TYR   3  -5.478   5.940  -0.398
   26   2HB   TYR   3          2HB       TYR   3  -4.395   5.025  -1.428
   27    HD1  TYR   3           HD1      TYR   3  -6.984   7.768  -1.713
   28    HD2  TYR   3           HD2      TYR   3  -3.285   6.182  -3.118
   29    HE1  TYR   3           HE1      TYR   3  -6.697   9.708  -3.168
   30    HE2  TYR   3           HE2      TYR   3  -3.006   8.133  -4.566
   31    HH   TYR   3           HH       TYR   3  -3.741  10.262  -4.942
   32    H    GLN   4           H        GLN   4  -6.953   2.412  -2.810
   33    HA   GLN   4           HA       GLN   4  -6.691   1.053  -0.156
   34   1HB   GLN   4          1HB       GLN   4  -8.965   0.962  -1.303
   35   2HB   GLN   4          2HB       GLN   4  -8.208   0.065  -2.612
   36   1HG   GLN   4          2HG       GLN   4  -9.219  -1.522  -1.028
   37   2HG   GLN   4          1HG       GLN   4  -7.472  -1.686  -0.943
   38   1HE2  GLN   4          2HE2      GLN   4  -6.664  -1.652   1.145
   39   2HE2  GLN   4          1HE2      GLN   4  -7.426  -0.938   2.482
   40    H    CYS   5           H        CYS   5  -4.896   0.110   0.042
   41    HA   CYS   5           HA       CYS   5  -2.696  -0.301  -1.278
   42   1HB   CYS   5          1HB       CYS   5  -3.061  -1.177   0.930
   43   2HB   CYS   5          2HB       CYS   5  -4.049  -2.490   0.295
   44    H    GLN   6           H        GLN   6  -4.829  -3.079  -1.440
   45    HA   GLN   6           HA       GLN   6  -5.616  -4.177  -3.458
   46   1HB   GLN   6          1HB       GLN   6  -4.297  -2.619  -4.992
   47   2HB   GLN   6          2HB       GLN   6  -2.854  -3.562  -4.639
   48   1HG   GLN   6          2HG       GLN   6  -3.908  -5.580  -5.628
   49   2HG   GLN   6          1HG       GLN   6  -5.367  -4.665  -5.959
   50   1HE2  GLN   6          1HE2      GLN   6  -2.993  -2.414  -6.502
   51   2HE2  GLN   6          2HE2      GLN   6  -2.701  -2.710  -8.145
   52    H    TYR   7           H        TYR   7  -2.676  -4.387  -1.698
   53    HA   TYR   7           HA       TYR   7  -2.359  -7.285  -2.276
   54   1HB   TYR   7          1HB       TYR   7  -0.545  -5.343  -0.806
   55   2HB   TYR   7          2HB       TYR   7  -0.149  -7.018  -1.147
   56    HD1  TYR   7           HD1      TYR   7  -0.668  -7.648  -3.787
   57    HD2  TYR   7           HD2      TYR   7   0.346  -3.780  -2.311
   58    HE1  TYR   7           HE1      TYR   7   0.109  -7.001  -6.012
   59    HE2  TYR   7           HE2      TYR   7   1.122  -3.140  -4.544
   60    HH   TYR   7           HH       TYR   7   1.256  -3.723  -6.695
   61    H    CYS   8           H        CYS   8  -2.472  -5.219   0.667
   62    HA   CYS   8           HA       CYS   8  -3.214  -7.677   2.217
   63   1HB   CYS   8          1HB       CYS   8  -2.633  -6.444   4.202
   64   2HB   CYS   8          2HB       CYS   8  -1.316  -6.394   3.080
   65    H    GLU   9           H        GLU   9  -4.011  -4.326   1.828
   66    HA   GLU   9           HA       GLU   9  -6.291  -3.578   1.291
   67   1HB   GLU   9          1HB       GLU   9  -7.386  -5.773   2.052
   68   2HB   GLU   9          2HB       GLU   9  -7.157  -5.267   3.721
   69   1HG   GLU   9          2HG       GLU   9  -8.555  -3.186   3.165
   70   2HG   GLU   9          1HG       GLU   9  -8.829  -3.875   1.576
   71    H    LEU  10           H        LEU  10  -4.503  -2.091   2.107
   72    HA   LEU  10           HA       LEU  10  -5.150  -0.968   4.818
   73   1HB   LEU  10          1HB       LEU  10  -2.719  -1.519   4.406
   74   2HB   LEU  10          2HB       LEU  10  -2.726  -0.466   2.994
   75    HG   LEU  10           HG       LEU  10  -3.691   0.757   5.590
   76   1HD1  LEU  10          1HD1      LEU  10  -0.746   0.312   4.974
   77   2HD1  LEU  10          2HD1      LEU  10  -1.623  -0.507   6.254
   78   3HD1  LEU  10          3HD1      LEU  10  -1.385   1.230   6.320
   79   1HD2  LEU  10          1HD2      LEU  10  -2.509   2.732   4.658
   80   2HD2  LEU  10          2HD2      LEU  10  -3.561   2.082   3.422
   81   3HD2  LEU  10          3HD2      LEU  10  -1.839   1.759   3.361
   82    H    ARG  11           H        ARG  11  -6.044   1.056   4.843
   83    HA   ARG  11           HA       ARG  11  -6.604   2.279   2.172
   84   1HB   ARG  11          1HB       ARG  11  -8.587   1.380   3.329
   85   2HB   ARG  11          2HB       ARG  11  -8.250   2.423   4.694
   86   1HG   ARG  11          2HG       ARG  11  -8.419   4.425   3.050
   87   2HG   ARG  11          1HG       ARG  11  -8.978   3.273   1.854
   88   1HD   ARG  11          2HD       ARG  11 -10.870   4.427   3.014
   89   2HD   ARG  11          1HD       ARG  11 -10.900   2.694   3.335
   90    HE   ARG  11           HE       ARG  11  -9.866   3.169   5.542
   91   1HH1  ARG  11          2HH1      ARG  11  -9.153   6.016   4.451
   92   2HH1  ARG  11          1HH1      ARG  11 -10.164   6.980   5.477
   93   1HH2  ARG  11          2HH2      ARG  11 -12.053   4.228   6.539
   94   2HH2  ARG  11          1HH2      ARG  11 -11.845   5.943   6.688
   95    H    SER  12           H        SER  12  -6.130   4.177   1.769
   96    HA   SER  12           HA       SER  12  -5.313   6.178   3.816
   97   1HB   SER  12          2HB       SER  12  -3.269   5.211   2.631
   98   2HB   SER  12          1HB       SER  12  -3.962   5.720   1.086
   99    HG   SER  12           HG       SER  12  -3.205   7.573   1.521
  100    H    ALA  13           H        ALA  13  -5.192   8.343   2.494
  101    HA   ALA  13           HA       ALA  13  -7.705   8.663   0.905
  102   1HB   ALA  13          1HB       ALA  13  -7.831   9.674   3.155
  103   2HB   ALA  13          2HB       ALA  13  -7.847  10.927   1.927
  104   3HB   ALA  13          3HB       ALA  13  -6.376  10.605   2.833
  105    H    ASP  14           H        ASP  14  -4.350   9.179   1.108
  106    HA   ASP  14           HA       ASP  14  -4.264  10.399  -1.594
  107   1HB   ASP  14          1HB       ASP  14  -2.793  11.484   0.859
  108   2HB   ASP  14          2HB       ASP  14  -2.562  12.071  -0.782
  109    H    SER  15           H        SER  15  -1.644  10.638  -1.952
  110    HA   SER  15           HA       SER  15  -0.582   7.861  -1.583
  111   1HB   SER  15          2HB       SER  15  -0.916   8.707  -3.960
  112   2HB   SER  15          1HB       SER  15   0.237  10.002  -3.625
  113    HG   SER  15           HG       SER  15   1.754   8.600  -3.918
  114    H    SER  16           H        SER  16   1.864   7.880  -1.526
  115    HA   SER  16           HA       SER  16   3.990   8.762  -0.825
  116   1HB   SER  16          2HB       SER  16   3.122  11.194  -0.600
  117   2HB   SER  16          1HB       SER  16   2.486  10.761   0.997
  118    HG   SER  16           HG       SER  16   4.960   9.807   0.779
  119    H    ASN  17           H        ASN  17   1.168   8.267   0.989
  120    HA   ASN  17           HA       ASN  17   2.532   6.910   3.259
  121   1HB   ASN  17          1HB       ASN  17   0.167   7.190   4.295
  122   2HB   ASN  17          2HB       ASN  17   1.077   8.672   4.028
  123   1HD2  ASN  17          2HD2      ASN  17  -0.546  10.177   3.436
  124   2HD2  ASN  17          1HD2      ASN  17  -1.664   9.923   2.183
  125    H    LEU  18           H        LEU  18   0.733   6.439   0.452
  126    HA   LEU  18           HA       LEU  18  -0.169   3.687   1.177
  127   1HB   LEU  18          1HB       LEU  18  -1.789   5.432   0.127
  128   2HB   LEU  18          2HB       LEU  18  -0.816   5.328  -1.335
  129    HG   LEU  18           HG       LEU  18  -2.736   3.947  -1.660
  130   1HD1  LEU  18          1HD1      LEU  18  -1.876   1.723  -2.050
  131   2HD1  LEU  18          2HD1      LEU  18  -0.493   2.030  -1.033
  132   3HD1  LEU  18          3HD1      LEU  18  -0.694   2.925  -2.536
  133   1HD2  LEU  18          1HD2      LEU  18  -2.097   2.569   0.986
  134   2HD2  LEU  18          2HD2      LEU  18  -3.379   2.105  -0.116
  135   3HD2  LEU  18          3HD2      LEU  18  -3.443   3.654   0.694
  136    H    LYS  19           H        LYS  19   1.325   5.566  -1.421
  137    HA   LYS  19           HA       LYS  19   2.437   3.502  -2.947
  138   1HB   LYS  19          1HB       LYS  19   2.428   6.123  -3.287
  139   2HB   LYS  19          2HB       LYS  19   3.914   6.107  -2.379
  140   1HG   LYS  19          2HG       LYS  19   4.474   6.046  -4.744
  141   2HG   LYS  19          1HG       LYS  19   4.903   4.517  -4.012
  142   1HD   LYS  19          2HD       LYS  19   3.775   4.294  -6.268
  143   2HD   LYS  19          1HD       LYS  19   3.024   3.364  -4.997
  144   1HE   LYS  19          2HE       LYS  19   1.392   4.620  -6.469
  145   2HE   LYS  19          1HE       LYS  19   1.223   5.050  -4.778
  146   1HZ   LYS  19          1HZ       LYS  19   1.716   6.735  -6.917
  147   2HZ   LYS  19          2HZ       LYS  19   3.150   6.707  -6.005
  148   3HZ   LYS  19          3HZ       LYS  19   1.689   7.116  -5.256
  149    H    THR  20           H        THR  20   3.900   5.306  -0.295
  150    HA   THR  20           HA       THR  20   6.298   3.786  -0.022
  151    HB   THR  20           HB       THR  20   4.760   5.452   2.050
  152    HG1  THR  20           HG1      THR  20   7.006   6.456   1.013
  153   1HG2  THR  20          1HG2      THR  20   7.726   4.629   1.928
  154   2HG2  THR  20          2HG2      THR  20   6.581   3.911   3.050
  155   3HG2  THR  20          3HG2      THR  20   6.971   5.618   3.170
  156    H    HIS  21           H        HIS  21   3.183   3.549   1.742
  157    HA   HIS  21           HA       HIS  21   3.658   1.462   3.476
  158   1HB   HIS  21          1HB       HIS  21   1.399   2.273   3.454
  159   2HB   HIS  21          2HB       HIS  21   1.189   2.006   1.743
  160    HD1  HIS  21           HD1      HIS  21   1.709  -0.103   4.819
  161    HD2  HIS  21           HD2      HIS  21   0.101  -0.408   1.074
  162    HE1  HIS  21           HE1      HIS  21   0.648  -2.331   4.692
  163    H    ILE  22           H        ILE  22   2.606   0.956   0.114
  164    HA   ILE  22           HA       ILE  22   3.006  -1.819  -0.019
  165    HB   ILE  22           HB       ILE  22   3.321   0.274  -2.236
  166   1HG1  ILE  22          2HG1      ILE  22   0.894  -1.450  -1.494
  167   2HG1  ILE  22          1HG1      ILE  22   1.084   0.199  -0.940
  168   1HG2  ILE  22          1HG2      ILE  22   2.786  -2.735  -2.411
  169   2HG2  ILE  22          2HG2      ILE  22   4.290  -1.958  -2.866
  170   3HG2  ILE  22          3HG2      ILE  22   2.836  -1.637  -3.782
  171   1HD1  ILE  22          1HD       ILE  22  -0.347   0.111  -2.940
  172   2HD1  ILE  22          2HD       ILE  22   0.931  -0.639  -3.866
  173   3HD1  ILE  22          3HD       ILE  22   1.122   1.008  -3.283
  174    H    LYS  23           H        LYS  23   5.278   0.665  -1.212
  175    HA   LYS  23           HA       LYS  23   7.451  -0.884  -1.876
  176   1HB   LYS  23          1HB       LYS  23   7.300   1.857  -0.622
  177   2HB   LYS  23          2HB       LYS  23   8.856   1.130  -0.942
  178   1HG   LYS  23          2HG       LYS  23   8.285   0.885  -3.342
  179   2HG   LYS  23          1HG       LYS  23   6.706   1.589  -3.048
  180   1HD   LYS  23          2HD       LYS  23   9.145   3.128  -2.113
  181   2HD   LYS  23          1HD       LYS  23   8.808   3.095  -3.827
  182   1HE   LYS  23          2HE       LYS  23   6.867   4.293  -3.646
  183   2HE   LYS  23          1HE       LYS  23   6.491   3.748  -2.027
  184   1HZ   LYS  23          1HZ       LYS  23   7.380   5.589  -1.248
  185   2HZ   LYS  23          2HZ       LYS  23   7.708   6.111  -2.826
  186   3HZ   LYS  23          3HZ       LYS  23   8.876   5.225  -1.970
  187    H    THR  24           H        THR  24   6.442  -0.224   1.379
  188    HA   THR  24           HA       THR  24   8.876  -1.501   2.472
  189    HB   THR  24           HB       THR  24   6.704   0.123   3.889
  190    HG1  THR  24           HG1      THR  24   8.671   0.744   2.210
  191   1HG2  THR  24          1HG2      THR  24   8.145  -1.332   5.443
  192   2HG2  THR  24          2HG2      THR  24   8.426   0.390   5.649
  193   3HG2  THR  24          3HG2      THR  24   9.570  -0.582   4.731
  194    H    LYS  25           H        LYS  25   5.452  -1.923   2.725
  195    HA   LYS  25           HA       LYS  25   5.713  -4.272   4.467
  196   1HB   LYS  25          1HB       LYS  25   3.258  -2.884   3.326
  197   2HB   LYS  25          2HB       LYS  25   3.211  -4.179   4.511
  198   1HG   LYS  25          2HG       LYS  25   4.600  -1.490   4.942
  199   2HG   LYS  25          1HG       LYS  25   2.988  -1.857   5.492
  200   1HD   LYS  25          2HD       LYS  25   5.458  -3.426   6.371
  201   2HD   LYS  25          1HD       LYS  25   4.762  -2.106   7.275
  202   1HE   LYS  25          2HE       LYS  25   3.266  -4.677   6.583
  203   2HE   LYS  25          1HE       LYS  25   3.970  -4.280   8.139
  204   1HZ   LYS  25          1HZ       LYS  25   1.477  -3.547   7.124
  205   2HZ   LYS  25          2HZ       LYS  25   2.384  -2.129   7.352
  206   3HZ   LYS  25          3HZ       LYS  25   2.146  -3.198   8.649
  207    H    HIS  26           H        HIS  26   5.462  -3.780   1.083
  208    HA   HIS  26           HA       HIS  26   4.789  -6.674   0.749
  209   1HB   HIS  26          1HB       HIS  26   3.911  -4.372  -1.039
  210   2HB   HIS  26          2HB       HIS  26   3.571  -6.071  -1.328
  211    HD1  HIS  26           HD1      HIS  26   2.611  -7.067   1.242
  212    HD2  HIS  26           HD2      HIS  26   1.623  -3.278   0.083
  213    HE1  HIS  26           HE1      HIS  26   0.610  -6.459   2.531
  214    H    SER  27           H        SER  27   6.315  -3.919  -0.789
  215    HA   SER  27           HA       SER  27   8.100  -5.769  -2.326
  216   1HB   SER  27          2HB       SER  27   6.730  -4.169  -3.691
  217   2HB   SER  27          1HB       SER  27   7.458  -2.810  -2.826
  218    HG   SER  27           HG       SER  27   9.148  -3.037  -4.031
  219    H    LYS  28           H        LYS  28   8.673  -5.740   0.088
  220    HA   LYS  28           HA       LYS  28  10.042  -4.142   1.684
  221   1HB   LYS  28          1HB       LYS  28  11.329  -6.134   2.414
  222   2HB   LYS  28          2HB       LYS  28   9.653  -6.524   2.047
  223   1HG   LYS  28          2HG       LYS  28  10.473  -7.191  -0.324
  224   2HG   LYS  28          1HG       LYS  28  12.100  -7.031   0.293
  225   1HD   LYS  28          2HD       LYS  28  11.562  -9.353   0.472
  226   2HD   LYS  28          1HD       LYS  28  11.472  -8.725   2.107
  227   1HE   LYS  28          2HE       LYS  28   8.999  -8.541   1.928
  228   2HE   LYS  28          1HE       LYS  28   9.072  -9.140   0.275
  229   1HZ   LYS  28          1HZ       LYS  28   9.041 -11.173   1.056
  230   2HZ   LYS  28          2HZ       LYS  28   8.998 -10.590   2.650
  231   3HZ   LYS  28          3HZ       LYS  28  10.488 -10.902   1.900
  232    H    GLU  29           H        GLU  29  12.352  -4.079   2.318
  233    HA   GLU  29           HA       GLU  29  13.933  -2.949   0.077
  234   1HB   GLU  29          1HB       GLU  29  15.371  -2.023   1.893
  235   2HB   GLU  29          2HB       GLU  29  13.695  -1.576   2.123
  236   1HG   GLU  29          2HG       GLU  29  13.432  -3.423   3.805
  237   2HG   GLU  29          1HG       GLU  29  15.130  -3.819   3.625
  238    H    LYS  30           H        LYS  30  14.139  -5.373   2.611
  239    HA   LYS  30           HA       LYS  30  16.310  -6.774   1.102
  240   1HB   LYS  30          1HB       LYS  30  16.031  -6.420   4.120
  241   2HB   LYS  30          2HB       LYS  30  17.194  -7.487   3.334
  242   1HG   LYS  30          2HG       LYS  30  18.208  -5.573   2.153
  243   2HG   LYS  30          1HG       LYS  30  17.018  -4.481   2.817
  244   1HD   LYS  30          2HD       LYS  30  19.126  -4.261   4.023
  245   2HD   LYS  30          1HD       LYS  30  17.890  -4.864   5.099
  246   1HE   LYS  30          2HE       LYS  30  19.860  -6.703   3.669
  247   2HE   LYS  30          1HE       LYS  30  20.187  -6.017   5.253
  248   1HZ   LYS  30          1HZ       LYS  30  18.685  -8.272   4.614
  249   2HZ   LYS  30          2HZ       LYS  30  17.631  -7.133   5.301
  250   3HZ   LYS  30          3HZ       LYS  30  19.013  -7.624   6.150
  Start of MODEL   10
    1   1H    LYS   1          1H        LYS   1 -13.927   9.256  -3.334
    2   2H    LYS   1          2H        LYS   1 -13.579  10.841  -2.832
    3   3H    LYS   1          3H        LYS   1 -13.214   9.525  -1.819
    4    HA   LYS   1           HA       LYS   1 -11.977   9.043  -4.241
    5   1HB   LYS   1          2HB       LYS   1 -12.131  11.481  -4.707
    6   2HB   LYS   1          1HB       LYS   1 -11.466  11.851  -3.134
    7   1HG   LYS   1          2HG       LYS   1  -9.724  12.052  -4.881
    8   2HG   LYS   1          1HG       LYS   1  -9.305  10.774  -3.767
    9   1HD   LYS   1          2HD       LYS   1 -10.254   9.093  -5.424
   10   2HD   LYS   1          1HD       LYS   1 -10.581  10.416  -6.526
   11   1HE   LYS   1          2HE       LYS   1  -8.445   9.356  -7.110
   12   2HE   LYS   1          1HE       LYS   1  -8.111  10.965  -6.478
   13   1HZ   LYS   1          1HZ       LYS   1  -6.880  10.053  -4.907
   14   2HZ   LYS   1          2HZ       LYS   1  -7.186   8.516  -5.548
   15   3HZ   LYS   1          3HZ       LYS   1  -8.197   9.152  -4.343
   16    H    THR   2           H        THR   2 -11.241   7.368  -3.029
   17    HA   THR   2           HA       THR   2  -9.277   7.994  -0.848
   18    HB   THR   2           HB       THR   2 -11.001   5.465  -1.103
   19    HG1  THR   2           HG1      THR   2 -11.652   7.025   0.946
   20   1HG2  THR   2          1HG2      THR   2 -10.452   5.185   1.300
   21   2HG2  THR   2          2HG2      THR   2  -9.492   6.654   1.290
   22   3HG2  THR   2          3HG2      THR   2  -8.957   5.233   0.400
   23    H    TYR   3           H        TYR   3  -7.683   6.189  -0.620
   24    HA   TYR   3           HA       TYR   3  -6.785   5.128  -3.269
   25   1HB   TYR   3          1HB       TYR   3  -5.088   5.994  -0.860
   26   2HB   TYR   3          2HB       TYR   3  -4.454   5.343  -2.364
   27    HD1  TYR   3           HD1      TYR   3  -6.505   8.179  -1.022
   28    HD2  TYR   3           HD2      TYR   3  -3.951   6.818  -4.146
   29    HE1  TYR   3           HE1      TYR   3  -6.472  10.436  -1.977
   30    HE2  TYR   3           HE2      TYR   3  -3.925   9.067  -5.095
   31    HH   TYR   3           HH       TYR   3  -4.730  11.109  -4.999
   32    H    GLN   4           H        GLN   4  -6.364   2.975  -3.303
   33    HA   GLN   4           HA       GLN   4  -6.649   1.450  -0.742
   34   1HB   GLN   4          1HB       GLN   4  -8.647   1.341  -2.178
   35   2HB   GLN   4          2HB       GLN   4  -7.669   0.791  -3.534
   36   1HG   GLN   4          2HG       GLN   4  -8.909  -1.062  -2.469
   37   2HG   GLN   4          1HG       GLN   4  -7.174  -1.308  -2.359
   38   1HE2  GLN   4          1HE2      GLN   4  -6.798  -2.247  -0.412
   39   2HE2  GLN   4          2HE2      GLN   4  -7.432  -1.746   1.078
   40    H    CYS   5           H        CYS   5  -5.658  -0.572  -0.596
   41    HA   CYS   5           HA       CYS   5  -3.091  -0.830  -2.117
   42   1HB   CYS   5          1HB       CYS   5  -2.871  -0.649   0.381
   43   2HB   CYS   5          2HB       CYS   5  -3.941  -2.035   0.574
   44    H    GLN   6           H        GLN   6  -2.779  -2.725  -3.260
   45    HA   GLN   6           HA       GLN   6  -5.073  -4.667  -3.317
   46   1HB   GLN   6          1HB       GLN   6  -3.126  -3.854  -5.515
   47   2HB   GLN   6          2HB       GLN   6  -4.400  -5.056  -5.692
   48   1HG   GLN   6          2HG       GLN   6  -6.115  -3.319  -5.137
   49   2HG   GLN   6          1HG       GLN   6  -4.844  -2.118  -4.961
   50   1HE2  GLN   6          2HE2      GLN   6  -4.556  -0.890  -6.789
   51   2HE2  GLN   6          1HE2      GLN   6  -4.840  -1.411  -8.381
   52    H    TYR   7           H        TYR   7  -3.297  -4.914  -1.423
   53    HA   TYR   7           HA       TYR   7  -1.866  -7.433  -2.082
   54   1HB   TYR   7          1HB       TYR   7  -0.781  -5.083  -0.466
   55   2HB   TYR   7          2HB       TYR   7  -0.035  -6.675  -0.496
   56    HD1  TYR   7           HD1      TYR   7   0.410  -7.648  -2.914
   57    HD2  TYR   7           HD2      TYR   7  -0.017  -3.496  -2.067
   58    HE1  TYR   7           HE1      TYR   7   1.603  -7.110  -4.977
   59    HE2  TYR   7           HE2      TYR   7   1.178  -2.962  -4.134
   60    HH   TYR   7           HH       TYR   7   2.122  -3.741  -5.974
   61    H    CYS   8           H        CYS   8  -2.791  -5.258   0.617
   62    HA   CYS   8           HA       CYS   8  -3.778  -7.647   2.078
   63   1HB   CYS   8          1HB       CYS   8  -2.985  -6.541   4.107
   64   2HB   CYS   8          2HB       CYS   8  -1.675  -6.741   2.977
   65    H    GLU   9           H        GLU   9  -4.275  -4.915   3.753
   66    HA   GLU   9           HA       GLU   9  -7.051  -4.494   2.737
   67   1HB   GLU   9          1HB       GLU   9  -6.037  -4.782   5.574
   68   2HB   GLU   9          2HB       GLU   9  -7.567  -3.999   5.237
   69   1HG   GLU   9          2HG       GLU   9  -7.912  -6.381   5.779
   70   2HG   GLU   9          1HG       GLU   9  -8.414  -6.037   4.140
   71    H    LEU  10           H        LEU  10  -4.545  -2.936   4.692
   72    HA   LEU  10           HA       LEU  10  -5.211  -0.472   5.249
   73   1HB   LEU  10          1HB       LEU  10  -2.895  -1.256   5.341
   74   2HB   LEU  10          2HB       LEU  10  -2.731  -1.088   3.596
   75    HG   LEU  10           HG       LEU  10  -3.554   1.375   5.170
   76   1HD1  LEU  10          1HD1      LEU  10  -1.647   0.448   6.481
   77   2HD1  LEU  10          2HD1      LEU  10  -1.162   1.898   5.616
   78   3HD1  LEU  10          3HD1      LEU  10  -0.697   0.319   5.011
   79   1HD2  LEU  10          1HD2      LEU  10  -3.304   1.501   2.653
   80   2HD2  LEU  10          2HD2      LEU  10  -1.649   0.948   2.806
   81   3HD2  LEU  10          3HD2      LEU  10  -2.125   2.500   3.467
   82    H    ARG  11           H        ARG  11  -6.011   1.301   4.567
   83    HA   ARG  11           HA       ARG  11  -5.990   2.035   1.673
   84   1HB   ARG  11          1HB       ARG  11  -8.382   2.729   1.893
   85   2HB   ARG  11          2HB       ARG  11  -8.187   1.035   2.256
   86   1HG   ARG  11          2HG       ARG  11  -9.582   1.638   3.977
   87   2HG   ARG  11          1HG       ARG  11  -8.040   1.835   4.775
   88   1HD   ARG  11          2HD       ARG  11  -8.156   4.334   4.176
   89   2HD   ARG  11          1HD       ARG  11  -9.764   4.029   3.546
   90    HE   ARG  11           HE       ARG  11 -10.366   3.203   5.855
   91   1HH1  ARG  11          2HH2      ARG  11  -7.194   4.376   5.968
   92   2HH1  ARG  11          1HH2      ARG  11  -7.479   5.421   7.315
   93   1HH2  ARG  11          2HH1      ARG  11 -10.935   4.940   7.269
   94   2HH2  ARG  11          1HH1      ARG  11  -9.634   5.756   8.068
   95    H    SER  12           H        SER  12  -5.788   4.228   1.341
   96    HA   SER  12           HA       SER  12  -5.326   5.995   3.722
   97   1HB   SER  12          2HB       SER  12  -3.621   5.950   1.175
   98   2HB   SER  12          1HB       SER  12  -3.349   6.968   2.594
   99    HG   SER  12           HG       SER  12  -3.663   4.381   3.309
  100    H    ALA  13           H        ALA  13  -5.167   8.350   2.961
  101    HA   ALA  13           HA       ALA  13  -7.138   8.936   0.788
  102   1HB   ALA  13          1HB       ALA  13  -8.281   9.051   2.997
  103   2HB   ALA  13          2HB       ALA  13  -8.152  10.652   2.282
  104   3HB   ALA  13          3HB       ALA  13  -7.063  10.175   3.576
  105    H    ASP  14           H        ASP  14  -4.262   8.935   0.775
  106    HA   ASP  14           HA       ASP  14  -3.753  11.834   0.266
  107   1HB   ASP  14          1HB       ASP  14  -1.755   9.906   1.542
  108   2HB   ASP  14          2HB       ASP  14  -1.473  11.597   1.185
  109    H    SER  15           H        SER  15  -2.142   8.797  -0.077
  110    HA   SER  15           HA       SER  15  -1.917   7.653  -2.300
  111   1HB   SER  15          2HB       SER  15  -2.166   9.820  -3.738
  112   2HB   SER  15          1HB       SER  15  -0.572  10.315  -3.151
  113    HG   SER  15           HG       SER  15   0.249   8.951  -4.491
  114    H    SER  16           H        SER  16   0.251  10.216  -1.186
  115    HA   SER  16           HA       SER  16   2.744   9.025  -1.339
  116   1HB   SER  16          2HB       SER  16   1.740  10.776   0.980
  117   2HB   SER  16          1HB       SER  16   3.436  10.543   0.517
  118    HG   SER  16           HG       SER  16   3.117  12.008  -0.921
  119    H    ASN  17           H        ASN  17   0.679   8.956   1.506
  120    HA   ASN  17           HA       ASN  17   2.065   7.245   3.186
  121   1HB   ASN  17          1HB       ASN  17  -0.158   8.472   3.656
  122   2HB   ASN  17          2HB       ASN  17  -0.974   7.155   2.827
  123   1HD2  ASN  17          1HD2      ASN  17  -1.591   5.437   4.180
  124   2HD2  ASN  17          2HD2      ASN  17  -0.883   5.105   5.680
  125    H    LEU  18           H        LEU  18  -0.522   6.201   0.999
  126    HA   LEU  18           HA       LEU  18  -0.234   3.438   1.274
  127   1HB   LEU  18          1HB       LEU  18  -2.138   4.571   0.146
  128   2HB   LEU  18          2HB       LEU  18  -1.084   5.139  -1.146
  129    HG   LEU  18           HG       LEU  18  -2.655   3.233  -1.691
  130   1HD1  LEU  18          1HD1      LEU  18  -1.034   2.035  -3.085
  131   2HD1  LEU  18          2HD1      LEU  18   0.309   2.700  -2.185
  132   3HD1  LEU  18          3HD1      LEU  18  -0.722   3.760  -3.130
  133   1HD2  LEU  18          1HD2      LEU  18  -0.708   1.599  -0.012
  134   2HD2  LEU  18          2HD2      LEU  18  -1.960   0.952  -1.052
  135   3HD2  LEU  18          3HD2      LEU  18  -2.398   1.896   0.358
  136    H    LYS  19           H        LYS  19   1.333   5.442  -1.213
  137    HA   LYS  19           HA       LYS  19   2.801   3.506  -2.566
  138   1HB   LYS  19          1HB       LYS  19   2.755   5.915  -3.182
  139   2HB   LYS  19          2HB       LYS  19   3.702   6.304  -1.761
  140   1HG   LYS  19          2HG       LYS  19   5.643   5.155  -2.593
  141   2HG   LYS  19          1HG       LYS  19   4.740   4.367  -3.868
  142   1HD   LYS  19          2HD       LYS  19   6.031   6.213  -4.816
  143   2HD   LYS  19          1HD       LYS  19   4.327   6.604  -4.918
  144   1HE   LYS  19          2HE       LYS  19   4.549   8.021  -2.843
  145   2HE   LYS  19          1HE       LYS  19   6.268   7.643  -2.802
  146   1HZ   LYS  19          1HZ       LYS  19   5.621   8.521  -5.371
  147   2HZ   LYS  19          2HZ       LYS  19   6.615   9.270  -4.217
  148   3HZ   LYS  19          3HZ       LYS  19   4.953   9.620  -4.263
  149    H    THR  20           H        THR  20   3.912   5.350   0.231
  150    HA   THR  20           HA       THR  20   6.344   3.986   0.730
  151    HB   THR  20           HB       THR  20   4.494   5.368   2.776
  152    HG1  THR  20           HG1      THR  20   6.595   6.730   1.805
  153   1HG2  THR  20          1HG2      THR  20   6.555   4.098   3.734
  154   2HG2  THR  20          2HG2      THR  20   6.653   5.835   3.938
  155   3HG2  THR  20          3HG2      THR  20   7.558   5.051   2.655
  156    H    HIS  21           H        HIS  21   3.119   3.359   2.089
  157    HA   HIS  21           HA       HIS  21   3.739   1.246   3.797
  158   1HB   HIS  21          1HB       HIS  21   1.467   2.006   3.816
  159   2HB   HIS  21          2HB       HIS  21   1.291   1.852   2.085
  160    HD1  HIS  21           HD1      HIS  21   1.789  -0.475   5.009
  161    HD2  HIS  21           HD2      HIS  21   0.156  -0.463   1.261
  162    HE1  HIS  21           HE1      HIS  21   0.693  -2.676   4.716
  163    H    ILE  22           H        ILE  22   2.727   0.940   0.421
  164    HA   ILE  22           HA       ILE  22   3.139  -1.797   0.077
  165    HB   ILE  22           HB       ILE  22   3.401   0.442  -1.990
  166   1HG1  ILE  22          2HG1      ILE  22   1.079  -1.381  -1.208
  167   2HG1  ILE  22          1HG1      ILE  22   1.201   0.322  -0.819
  168   1HG2  ILE  22          1HG2      ILE  22   4.481  -1.692  -2.800
  169   2HG2  ILE  22          2HG2      ILE  22   3.020  -1.372  -3.694
  170   3HG2  ILE  22          3HG2      ILE  22   3.015  -2.572  -2.411
  171   1HD1  ILE  22          1HD       ILE  22   1.011  -0.827  -3.634
  172   2HD1  ILE  22          2HD       ILE  22   1.185   0.876  -3.252
  173   3HD1  ILE  22          3HD       ILE  22  -0.257  -0.001  -2.763
  174    H    LYS  23           H        LYS  23   5.479   0.681  -1.022
  175    HA   LYS  23           HA       LYS  23   7.478  -1.113  -1.829
  176   1HB   LYS  23          1HB       LYS  23   9.050   0.717  -1.694
  177   2HB   LYS  23          2HB       LYS  23   7.495   1.325  -2.226
  178   1HG   LYS  23          2HG       LYS  23   6.992   2.226  -0.076
  179   2HG   LYS  23          1HG       LYS  23   8.374   1.468   0.684
  180   1HD   LYS  23          2HD       LYS  23   9.089   3.705   0.370
  181   2HD   LYS  23          1HD       LYS  23   9.833   2.842  -0.952
  182   1HE   LYS  23          2HE       LYS  23   7.221   4.391  -1.235
  183   2HE   LYS  23          1HE       LYS  23   8.800   5.039  -1.621
  184   1HZ   LYS  23          1HZ       LYS  23   8.632   4.163  -3.595
  185   2HZ   LYS  23          2HZ       LYS  23   7.132   3.470  -3.210
  186   3HZ   LYS  23          3HZ       LYS  23   8.568   2.601  -2.940
  187    H    THR  24           H        THR  24   6.578  -0.313   1.405
  188    HA   THR  24           HA       THR  24   9.042  -1.521   2.471
  189    HB   THR  24           HB       THR  24   6.768  -0.212   4.059
  190    HG1  THR  24           HG1      THR  24   7.534   1.292   2.785
  191   1HG2  THR  24          1HG2      THR  24   8.568  -1.588   5.342
  192   2HG2  THR  24          2HG2      THR  24   8.600   0.126   5.716
  193   3HG2  THR  24          3HG2      THR  24   9.780  -0.554   4.605
  194    H    LYS  25           H        LYS  25   5.633  -2.193   2.817
  195    HA   LYS  25           HA       LYS  25   6.320  -4.686   4.297
  196   1HB   LYS  25          1HB       LYS  25   3.593  -3.468   3.773
  197   2HB   LYS  25          2HB       LYS  25   3.910  -4.854   4.811
  198   1HG   LYS  25          2HG       LYS  25   5.568  -3.160   6.048
  199   2HG   LYS  25          1HG       LYS  25   4.656  -1.936   5.195
  200   1HD   LYS  25          2HD       LYS  25   3.577  -2.138   7.323
  201   2HD   LYS  25          1HD       LYS  25   2.528  -2.963   6.188
  202   1HE   LYS  25          2HE       LYS  25   3.489  -5.171   6.866
  203   2HE   LYS  25          1HE       LYS  25   4.596  -4.347   7.953
  204   1HZ   LYS  25          1HZ       LYS  25   1.987  -5.165   8.443
  205   2HZ   LYS  25          2HZ       LYS  25   2.019  -3.468   8.537
  206   3HZ   LYS  25          3HZ       LYS  25   3.073  -4.393   9.494
  207    H    HIS  26           H        HIS  26   5.679  -3.903   1.072
  208    HA   HIS  26           HA       HIS  26   4.847  -6.734   0.536
  209   1HB   HIS  26          1HB       HIS  26   4.053  -4.225  -1.012
  210   2HB   HIS  26          2HB       HIS  26   3.657  -5.866  -1.484
  211    HD1  HIS  26           HD1      HIS  26   2.750  -7.018   1.145
  212    HD2  HIS  26           HD2      HIS  26   1.675  -3.242   0.001
  213    HE1  HIS  26           HE1      HIS  26   0.704  -6.463   2.410
  214    H    SER  27           H        SER  27   6.464  -3.937  -0.821
  215    HA   SER  27           HA       SER  27   8.211  -5.763  -2.441
  216   1HB   SER  27          2HB       SER  27   6.806  -4.142  -3.770
  217   2HB   SER  27          1HB       SER  27   7.589  -2.798  -2.932
  218    HG   SER  27           HG       SER  27   9.370  -3.159  -3.995
  219    H    LYS  28           H        LYS  28   8.717  -5.575   0.144
  220    HA   LYS  28           HA       LYS  28  10.364  -3.580   1.198
  221   1HB   LYS  28          1HB       LYS  28  11.324  -5.427   2.621
  222   2HB   LYS  28          2HB       LYS  28   9.565  -5.406   2.595
  223   1HG   LYS  28          2HG       LYS  28   9.499  -7.203   0.924
  224   2HG   LYS  28          1HG       LYS  28  11.241  -7.199   0.779
  225   1HD   LYS  28          2HD       LYS  28   9.753  -7.814   3.367
  226   2HD   LYS  28          1HD       LYS  28  10.305  -9.049   2.253
  227   1HE   LYS  28          2HE       LYS  28  12.098  -7.025   3.667
  228   2HE   LYS  28          1HE       LYS  28  11.943  -8.722   4.084
  229   1HZ   LYS  28          1HZ       LYS  28  13.472  -9.187   2.600
  230   2HZ   LYS  28          2HZ       LYS  28  13.591  -7.555   2.159
  231   3HZ   LYS  28          3HZ       LYS  28  12.494  -8.570   1.358
  232    H    GLU  29           H        GLU  29  12.657  -3.572   1.584
  233    HA   GLU  29           HA       GLU  29  14.319  -4.820  -0.561
  234   1HB   GLU  29          1HB       GLU  29  14.549  -1.914   0.412
  235   2HB   GLU  29          2HB       GLU  29  15.504  -2.641  -0.862
  236   1HG   GLU  29          2HG       GLU  29  12.488  -2.158  -0.938
  237   2HG   GLU  29          1HG       GLU  29  13.690  -1.231  -1.797
  238    H    LYS  30           H        LYS  30  14.196  -6.119   1.592
  239    HA   LYS  30           HA       LYS  30  16.520  -5.336   3.320
  240   1HB   LYS  30          1HB       LYS  30  14.218  -5.544   4.428
  241   2HB   LYS  30          2HB       LYS  30  14.263  -7.259   4.031
  242   1HG   LYS  30          2HG       LYS  30  16.486  -7.395   5.287
  243   2HG   LYS  30          1HG       LYS  30  16.175  -5.772   5.856
  244   1HD   LYS  30          2HD       LYS  30  14.386  -8.188   6.340
  245   2HD   LYS  30          1HD       LYS  30  15.474  -7.491   7.511
  246   1HE   LYS  30          2HE       LYS  30  13.315  -6.618   8.077
  247   2HE   LYS  30          1HE       LYS  30  14.113  -5.296   7.246
  248   1HZ   LYS  30          1HZ       LYS  30  12.493  -5.275   5.785
  249   2HZ   LYS  30          2HZ       LYS  30  11.720  -6.554   6.596
  250   3HZ   LYS  30          3HZ       LYS  30  12.817  -6.884   5.349
  Start of MODEL   11
    1   1H    LYS   1          1H        LYS   1 -11.125  11.114  -1.735
    2   2H    LYS   1          2H        LYS   1 -12.305  10.921  -2.941
    3   3H    LYS   1          3H        LYS   1 -11.249  12.250  -2.990
    4    HA   LYS   1           HA       LYS   1 -10.937   9.722  -4.134
    5   1HB   LYS   1          2HB       LYS   1 -10.230  11.945  -5.126
    6   2HB   LYS   1          1HB       LYS   1  -8.945  12.040  -3.936
    7   1HG   LYS   1          2HG       LYS   1  -8.082   9.783  -4.815
    8   2HG   LYS   1          1HG       LYS   1  -9.285   9.885  -6.082
    9   1HD   LYS   1          2HD       LYS   1  -8.252  12.017  -6.864
   10   2HD   LYS   1          1HD       LYS   1  -7.058  11.898  -5.583
   11   1HE   LYS   1          2HE       LYS   1  -6.365   9.640  -6.526
   12   2HE   LYS   1          1HE       LYS   1  -7.452   9.934  -7.875
   13   1HZ   LYS   1          1HZ       LYS   1  -5.864  11.086  -8.835
   14   2HZ   LYS   1          2HZ       LYS   1  -4.855  10.842  -7.478
   15   3HZ   LYS   1          3HZ       LYS   1  -5.868  12.200  -7.553
   16    H    THR   2           H        THR   2 -10.643   8.153  -2.532
   17    HA   THR   2           HA       THR   2  -8.162   8.330  -0.870
   18    HB   THR   2           HB       THR   2  -9.192   6.193   0.247
   19    HG1  THR   2           HG1      THR   2 -10.862   5.473  -0.753
   20   1HG2  THR   2          1HG2      THR   2 -10.979   8.670   0.292
   21   2HG2  THR   2          2HG2      THR   2  -9.536   8.501   1.278
   22   3HG2  THR   2          3HG2      THR   2 -10.899   7.426   1.527
   23    H    TYR   3           H        TYR   3  -7.038   6.285  -0.612
   24    HA   TYR   3           HA       TYR   3  -6.830   4.753  -3.186
   25   1HB   TYR   3          1HB       TYR   3  -4.545   5.530  -1.316
   26   2HB   TYR   3          2HB       TYR   3  -4.398   4.593  -2.796
   27    HD1  TYR   3           HD1      TYR   3  -5.760   7.951  -1.695
   28    HD2  TYR   3           HD2      TYR   3  -3.672   5.728  -4.676
   29    HE1  TYR   3           HE1      TYR   3  -5.398   9.997  -2.981
   30    HE2  TYR   3           HE2      TYR   3  -3.311   7.781  -5.949
   31    HH   TYR   3           HH       TYR   3  -4.640  10.880  -4.881
   32    H    GLN   4           H        GLN   4  -6.390   2.601  -2.960
   33    HA   GLN   4           HA       GLN   4  -6.590   1.421  -0.214
   34   1HB   GLN   4          1HB       GLN   4  -8.734   1.200  -1.500
   35   2HB   GLN   4          2HB       GLN   4  -7.857   0.469  -2.840
   36   1HG   GLN   4          2HG       GLN   4  -9.053  -1.210  -1.462
   37   2HG   GLN   4          1HG       GLN   4  -7.328  -1.497  -1.488
   38   1HE2  GLN   4          2HE2      GLN   4  -6.701  -2.193   0.526
   39   2HE2  GLN   4          1HE2      GLN   4  -7.253  -1.572   2.006
   40    H    CYS   5           H        CYS   5  -5.624  -0.781  -0.153
   41    HA   CYS   5           HA       CYS   5  -3.097  -0.813  -1.721
   42   1HB   CYS   5          1HB       CYS   5  -3.044  -1.057   0.751
   43   2HB   CYS   5          2HB       CYS   5  -4.024  -2.520   0.615
   44    H    GLN   6           H        GLN   6  -2.427  -2.730  -2.796
   45    HA   GLN   6           HA       GLN   6  -4.678  -4.465  -3.763
   46   1HB   GLN   6          1HB       GLN   6  -2.102  -3.704  -5.222
   47   2HB   GLN   6          2HB       GLN   6  -3.435  -4.633  -5.886
   48   1HG   GLN   6          2HG       GLN   6  -4.942  -2.669  -5.672
   49   2HG   GLN   6          1HG       GLN   6  -3.635  -1.726  -4.963
   50   1HE2  GLN   6          2HE2      GLN   6  -2.555  -0.452  -6.455
   51   2HE2  GLN   6          1HE2      GLN   6  -2.404  -0.792  -8.113
   52    H    TYR   7           H        TYR   7  -3.053  -4.868  -1.419
   53    HA   TYR   7           HA       TYR   7  -1.928  -7.544  -2.084
   54   1HB   TYR   7          1HB       TYR   7  -0.619  -5.399  -0.394
   55   2HB   TYR   7          2HB       TYR   7  -0.013  -7.047  -0.520
   56    HD1  TYR   7           HD1      TYR   7   0.472  -7.922  -2.934
   57    HD2  TYR   7           HD2      TYR   7   0.073  -3.788  -1.989
   58    HE1  TYR   7           HE1      TYR   7   1.646  -7.334  -4.997
   59    HE2  TYR   7           HE2      TYR   7   1.246  -3.205  -4.054
   60    HH   TYR   7           HH       TYR   7   2.125  -3.949  -5.945
   61    H    CYS   8           H        CYS   8  -2.690  -5.379   0.677
   62    HA   CYS   8           HA       CYS   8  -3.818  -7.748   2.086
   63   1HB   CYS   8          1HB       CYS   8  -3.181  -6.579   4.141
   64   2HB   CYS   8          2HB       CYS   8  -1.789  -6.796   3.125
   65    H    GLU   9           H        GLU   9  -4.466  -4.933   3.638
   66    HA   GLU   9           HA       GLU   9  -6.827  -4.080   2.137
   67   1HB   GLU   9          1HB       GLU   9  -8.335  -4.674   4.244
   68   2HB   GLU   9          2HB       GLU   9  -7.952  -5.922   3.083
   69   1HG   GLU   9          2HG       GLU   9  -7.683  -6.731   5.419
   70   2HG   GLU   9          1HG       GLU   9  -6.181  -6.830   4.525
   71    H    LEU  10           H        LEU  10  -4.795  -2.526   2.666
   72    HA   LEU  10           HA       LEU  10  -5.494  -0.849   5.046
   73   1HB   LEU  10          1HB       LEU  10  -3.150  -1.661   4.893
   74   2HB   LEU  10          2HB       LEU  10  -2.993  -0.923   3.299
   75    HG   LEU  10           HG       LEU  10  -3.772   0.873   5.615
   76   1HD1  LEU  10          1HD1      LEU  10  -1.361   1.187   6.140
   77   2HD1  LEU  10          2HD1      LEU  10  -0.936  -0.044   4.968
   78   3HD1  LEU  10          3HD1      LEU  10  -1.815  -0.486   6.424
   79   1HD2  LEU  10          1HD2      LEU  10  -1.957   1.235   3.167
   80   2HD2  LEU  10          2HD2      LEU  10  -2.425   2.494   4.299
   81   3HD2  LEU  10          3HD2      LEU  10  -3.620   1.776   3.246
   82    H    ARG  11           H        ARG  11  -6.135   1.220   4.772
   83    HA   ARG  11           HA       ARG  11  -6.436   2.246   1.974
   84   1HB   ARG  11          1HB       ARG  11  -8.580   1.459   3.184
   85   2HB   ARG  11          2HB       ARG  11  -8.344   2.814   4.269
   86   1HG   ARG  11          2HG       ARG  11  -8.432   4.400   2.364
   87   2HG   ARG  11          1HG       ARG  11  -8.562   3.058   1.236
   88   1HD   ARG  11          2HD       ARG  11 -10.711   2.387   2.490
   89   2HD   ARG  11          1HD       ARG  11 -10.595   3.949   3.301
   90    HE   ARG  11           HE       ARG  11 -10.762   5.031   1.056
   91   1HH1  ARG  11          2HH1      ARG  11 -10.054   2.909  -0.734
   92   2HH1  ARG  11          1HH1      ARG  11 -11.577   2.303  -1.294
   93   1HH2  ARG  11          2HH2      ARG  11 -13.359   3.760   1.347
   94   2HH2  ARG  11          1HH2      ARG  11 -13.489   2.786  -0.078
   95    H    SER  12           H        SER  12  -6.287   4.435   1.695
   96    HA   SER  12           HA       SER  12  -5.273   6.135   3.905
   97   1HB   SER  12          2HB       SER  12  -3.376   6.905   2.400
   98   2HB   SER  12          1HB       SER  12  -3.265   5.165   2.717
   99    HG   SER  12           HG       SER  12  -3.599   4.854   0.686
  100    H    ALA  13           H        ALA  13  -4.898   8.418   2.882
  101    HA   ALA  13           HA       ALA  13  -7.428   9.152   1.475
  102   1HB   ALA  13          1HB       ALA  13  -5.523  10.854   3.136
  103   2HB   ALA  13          2HB       ALA  13  -7.055  10.196   3.689
  104   3HB   ALA  13          3HB       ALA  13  -7.031  11.410   2.422
  105    H    ASP  14           H        ASP  14  -3.973   9.778   1.518
  106    HA   ASP  14           HA       ASP  14  -4.135  10.933  -1.235
  107   1HB   ASP  14          1HB       ASP  14  -1.972  12.037  -0.636
  108   2HB   ASP  14          2HB       ASP  14  -3.264  12.457   0.472
  109    H    SER  15           H        SER  15  -1.570  10.655  -2.025
  110    HA   SER  15           HA       SER  15  -1.347   7.729  -2.486
  111   1HB   SER  15          2HB       SER  15   0.150   8.441  -4.403
  112   2HB   SER  15          1HB       SER  15  -1.449   9.187  -4.502
  113    HG   SER  15           HG       SER  15   0.019  10.701  -2.917
  114    H    SER  16           H        SER  16   0.653  10.494  -1.577
  115    HA   SER  16           HA       SER  16   3.161   9.479  -1.252
  116   1HB   SER  16          2HB       SER  16   1.708  11.321   0.705
  117   2HB   SER  16          1HB       SER  16   3.467  11.155   0.567
  118    HG   SER  16           HG       SER  16   3.319  12.449  -1.053
  119    H    ASN  17           H        ASN  17   0.718   9.226   1.252
  120    HA   ASN  17           HA       ASN  17   2.328   7.579   3.017
  121   1HB   ASN  17          1HB       ASN  17  -0.599   8.378   3.178
  122   2HB   ASN  17          2HB       ASN  17   0.341   7.683   4.488
  123   1HD2  ASN  17          1HD2      ASN  17   1.070   9.262   5.921
  124   2HD2  ASN  17          2HD2      ASN  17   1.470  10.855   5.493
  125    H    LEU  18           H        LEU  18   0.767   6.689   0.306
  126    HA   LEU  18           HA       LEU  18  -0.112   4.043   1.345
  127   1HB   LEU  18          1HB       LEU  18  -1.745   5.548   0.001
  128   2HB   LEU  18          2HB       LEU  18  -0.700   5.287  -1.391
  129    HG   LEU  18           HG       LEU  18  -2.777   3.807  -1.280
  130   1HD1  LEU  18          1HD1      LEU  18  -0.882   3.188  -2.722
  131   2HD1  LEU  18          2HD1      LEU  18  -1.669   1.778  -2.047
  132   3HD1  LEU  18          3HD1      LEU  18  -0.134   2.312  -1.401
  133   1HD2  LEU  18          1HD2      LEU  18  -1.243   2.374   0.944
  134   2HD2  LEU  18          2HD2      LEU  18  -2.724   1.821   0.205
  135   3HD2  LEU  18          3HD2      LEU  18  -2.726   3.284   1.170
  136    H    LYS  19           H        LYS  19   1.704   5.672  -1.230
  137    HA   LYS  19           HA       LYS  19   2.861   3.364  -2.408
  138   1HB   LYS  19          1HB       LYS  19   4.772   4.847  -3.132
  139   2HB   LYS  19          2HB       LYS  19   3.199   5.516  -3.509
  140   1HG   LYS  19          2HG       LYS  19   3.345   7.110  -1.695
  141   2HG   LYS  19          1HG       LYS  19   4.799   6.370  -1.058
  142   1HD   LYS  19          2HD       LYS  19   5.334   8.419  -2.254
  143   2HD   LYS  19          1HD       LYS  19   6.094   7.022  -2.983
  144   1HE   LYS  19          2HE       LYS  19   3.460   8.098  -4.065
  145   2HE   LYS  19          1HE       LYS  19   5.011   8.736  -4.594
  146   1HZ   LYS  19          1HZ       LYS  19   5.185   7.059  -5.971
  147   2HZ   LYS  19          2HZ       LYS  19   3.714   6.408  -5.427
  148   3HZ   LYS  19          3HZ       LYS  19   5.171   5.963  -4.679
  149    H    THR  20           H        THR  20   4.103   5.396   0.269
  150    HA   THR  20           HA       THR  20   6.449   4.004   0.856
  151    HB   THR  20           HB       THR  20   5.759   6.194   1.935
  152    HG1  THR  20           HG1      THR  20   7.139   5.508   3.340
  153   1HG2  THR  20          1HG2      THR  20   3.997   4.417   3.724
  154   2HG2  THR  20          2HG2      THR  20   3.346   5.489   2.494
  155   3HG2  THR  20          3HG2      THR  20   4.220   6.149   3.867
  156    H    HIS  21           H        HIS  21   3.150   3.273   1.875
  157    HA   HIS  21           HA       HIS  21   3.745   1.127   3.654
  158   1HB   HIS  21          1HB       HIS  21   1.502   1.998   3.670
  159   2HB   HIS  21          2HB       HIS  21   1.287   1.778   1.951
  160    HD1  HIS  21           HD1      HIS  21   1.734  -0.404   4.982
  161    HD2  HIS  21           HD2      HIS  21   0.163  -0.582   1.215
  162    HE1  HIS  21           HE1      HIS  21   0.603  -2.592   4.802
  163    H    ILE  22           H        ILE  22   2.521   0.818   0.319
  164    HA   ILE  22           HA       ILE  22   3.054  -1.879  -0.113
  165    HB   ILE  22           HB       ILE  22   3.382   0.400  -2.144
  166   1HG1  ILE  22          2HG1      ILE  22   0.955  -1.376  -1.546
  167   2HG1  ILE  22          1HG1      ILE  22   1.124   0.256  -0.937
  168   1HG2  ILE  22          1HG2      ILE  22   4.385  -1.761  -2.933
  169   2HG2  ILE  22          2HG2      ILE  22   2.936  -1.397  -3.842
  170   3HG2  ILE  22          3HG2      ILE  22   2.888  -2.591  -2.555
  171   1HD1  ILE  22          1HD       ILE  22   1.027  -0.491  -3.893
  172   2HD1  ILE  22          2HD       ILE  22   1.217   1.136  -3.259
  173   3HD1  ILE  22          3HD       ILE  22  -0.265   0.241  -2.973
  174    H    LYS  23           H        LYS  23   5.203   0.783  -0.830
  175    HA   LYS  23           HA       LYS  23   7.464  -0.250  -1.818
  176   1HB   LYS  23          1HB       LYS  23   7.009   2.152  -1.267
  177   2HB   LYS  23          2HB       LYS  23   7.343   1.814   0.404
  178   1HG   LYS  23          2HG       LYS  23   9.324   2.794  -0.537
  179   2HG   LYS  23          1HG       LYS  23   9.678   1.118  -0.196
  180   1HD   LYS  23          2HD       LYS  23  10.571   1.753  -2.394
  181   2HD   LYS  23          1HD       LYS  23   9.323   0.548  -2.615
  182   1HE   LYS  23          2HE       LYS  23   9.089   2.364  -4.268
  183   2HE   LYS  23          1HE       LYS  23   7.709   2.434  -3.195
  184   1HZ   LYS  23          1HZ       LYS  23   8.271   4.479  -2.637
  185   2HZ   LYS  23          2HZ       LYS  23   9.571   4.414  -3.729
  186   3HZ   LYS  23          3HZ       LYS  23   9.800   3.968  -2.107
  187    H    THR  24           H        THR  24   6.808  -0.205   1.679
  188    HA   THR  24           HA       THR  24   9.106  -2.068   2.057
  189    HB   THR  24           HB       THR  24   9.074  -1.176   4.472
  190    HG1  THR  24           HG1      THR  24   7.308  -0.172   4.920
  191   1HG2  THR  24          1HG2      THR  24   9.093   1.041   2.342
  192   2HG2  THR  24          2HG2      THR  24  10.478   0.010   2.664
  193   3HG2  THR  24          3HG2      THR  24   9.880   1.090   3.912
  194    H    LYS  25           H        LYS  25   5.741  -2.228   2.209
  195    HA   LYS  25           HA       LYS  25   5.785  -4.460   4.177
  196   1HB   LYS  25          1HB       LYS  25   3.566  -2.723   3.077
  197   2HB   LYS  25          2HB       LYS  25   3.200  -4.246   3.870
  198   1HG   LYS  25          2HG       LYS  25   2.997  -2.458   5.477
  199   2HG   LYS  25          1HG       LYS  25   4.356  -3.467   5.912
  200   1HD   LYS  25          2HD       LYS  25   5.937  -1.824   5.034
  201   2HD   LYS  25          1HD       LYS  25   4.622  -0.846   4.396
  202   1HE   LYS  25          2HE       LYS  25   3.778  -0.426   6.659
  203   2HE   LYS  25          1HE       LYS  25   5.030  -1.465   7.340
  204   1HZ   LYS  25          1HZ       LYS  25   6.374   0.250   7.363
  205   2HZ   LYS  25          2HZ       LYS  25   5.192   1.241   6.650
  206   3HZ   LYS  25          3HZ       LYS  25   6.275   0.357   5.677
  207    H    HIS  26           H        HIS  26   5.397  -3.890   0.772
  208    HA   HIS  26           HA       HIS  26   4.736  -6.779   0.426
  209   1HB   HIS  26          1HB       HIS  26   3.674  -4.466  -1.208
  210   2HB   HIS  26          2HB       HIS  26   3.334  -6.162  -1.505
  211    HD1  HIS  26           HD1      HIS  26   2.532  -7.220   1.121
  212    HD2  HIS  26           HD2      HIS  26   1.530  -3.399   0.073
  213    HE1  HIS  26           HE1      HIS  26   0.598  -6.604   2.531
  214    H    SER  27           H        SER  27   6.343  -4.045  -1.099
  215    HA   SER  27           HA       SER  27   7.552  -5.900  -3.089
  216   1HB   SER  27          2HB       SER  27   8.225  -3.707  -4.237
  217   2HB   SER  27          1HB       SER  27   6.489  -3.985  -4.088
  218    HG   SER  27           HG       SER  27   7.347  -2.848  -1.841
  219    H    LYS  28           H        LYS  28   8.840  -3.070  -1.584
  220    HA   LYS  28           HA       LYS  28  10.782  -3.187   0.046
  221   1HB   LYS  28          1HB       LYS  28  11.631  -5.447  -0.735
  222   2HB   LYS  28          2HB       LYS  28  12.013  -4.766  -2.314
  223   1HG   LYS  28          2HG       LYS  28  13.794  -3.429  -1.369
  224   2HG   LYS  28          1HG       LYS  28  13.265  -3.766   0.274
  225   1HD   LYS  28          2HD       LYS  28  13.892  -6.148  -0.043
  226   2HD   LYS  28          1HD       LYS  28  14.304  -5.843  -1.722
  227   1HE   LYS  28          2HE       LYS  28  16.344  -5.856  -0.300
  228   2HE   LYS  28          1HE       LYS  28  16.096  -4.257  -0.982
  229   1HZ   LYS  28          1HZ       LYS  28  16.007  -3.435   1.040
  230   2HZ   LYS  28          2HZ       LYS  28  16.285  -4.977   1.697
  231   3HZ   LYS  28          3HZ       LYS  28  14.697  -4.436   1.438
  232    H    GLU  29           H        GLU  29  12.909  -1.930  -0.613
  233    HA   GLU  29           HA       GLU  29  12.103   0.396  -2.110
  234   1HB   GLU  29          1HB       GLU  29  13.698   0.435  -0.171
  235   2HB   GLU  29          2HB       GLU  29  14.886  -0.405  -1.147
  236   1HG   GLU  29          2HG       GLU  29  14.789   1.517  -2.822
  237   2HG   GLU  29          1HG       GLU  29  13.697   2.352  -1.732
  238    H    LYS  30           H        LYS  30  14.505  -2.133  -2.697
  239    HA   LYS  30           HA       LYS  30  14.541  -1.402  -5.609
  240   1HB   LYS  30          1HB       LYS  30  16.672  -2.816  -3.966
  241   2HB   LYS  30          2HB       LYS  30  16.808  -2.385  -5.669
  242   1HG   LYS  30          2HG       LYS  30  16.567   0.029  -5.064
  243   2HG   LYS  30          1HG       LYS  30  16.523  -0.406  -3.365
  244   1HD   LYS  30          2HD       LYS  30  18.841  -0.986  -5.257
  245   2HD   LYS  30          1HD       LYS  30  18.801   0.316  -4.085
  246   1HE   LYS  30          2HE       LYS  30  18.593  -1.379  -2.238
  247   2HE   LYS  30          1HE       LYS  30  18.716  -2.667  -3.430
  248   1HZ   LYS  30          1HZ       LYS  30  20.771  -1.274  -2.198
  249   2HZ   LYS  30          2HZ       LYS  30  20.823  -0.894  -3.853
  250   3HZ   LYS  30          3HZ       LYS  30  20.876  -2.514  -3.354
  Start of MODEL   12
    1   1H    LYS   1          1H        LYS   1 -12.786  11.903  -1.447
    2   2H    LYS   1          2H        LYS   1 -12.086  11.656  -2.972
    3   3H    LYS   1          3H        LYS   1 -11.113  11.662  -1.587
    4    HA   LYS   1           HA       LYS   1 -13.098   9.750  -1.172
    5   1HB   LYS   1          2HB       LYS   1 -11.542   9.259  -3.762
    6   2HB   LYS   1          1HB       LYS   1 -12.772   8.228  -3.053
    7   1HG   LYS   1          2HG       LYS   1 -14.463  10.061  -3.401
    8   2HG   LYS   1          1HG       LYS   1 -13.239  11.010  -4.227
    9   1HD   LYS   1          2HD       LYS   1 -12.938   8.909  -5.765
   10   2HD   LYS   1          1HD       LYS   1 -14.475   8.389  -5.101
   11   1HE   LYS   1          2HE       LYS   1 -13.973  11.008  -6.583
   12   2HE   LYS   1          1HE       LYS   1 -14.867   9.626  -7.189
   13   1HZ   LYS   1          1HZ       LYS   1 -16.674  10.445  -6.272
   14   2HZ   LYS   1          2HZ       LYS   1 -15.794  11.758  -5.657
   15   3HZ   LYS   1          3HZ       LYS   1 -15.968  10.349  -4.728
   16    H    THR   2           H        THR   2 -11.738   7.487  -1.388
   17    HA   THR   2           HA       THR   2  -9.090   8.006  -0.075
   18    HB   THR   2           HB       THR   2 -11.027   5.663   0.435
   19    HG1  THR   2           HG1      THR   2 -12.024   7.147   1.548
   20   1HG2  THR   2          1HG2      THR   2  -9.752   5.407   2.532
   21   2HG2  THR   2          2HG2      THR   2  -8.736   6.780   2.131
   22   3HG2  THR   2          3HG2      THR   2  -8.619   5.283   1.207
   23    H    TYR   3           H        TYR   3  -7.675   6.037  -0.201
   24    HA   TYR   3           HA       TYR   3  -7.693   4.912  -2.972
   25   1HB   TYR   3          1HB       TYR   3  -5.323   5.409  -1.109
   26   2HB   TYR   3          2HB       TYR   3  -5.218   4.699  -2.719
   27    HD1  TYR   3           HD1      TYR   3  -7.353   6.874  -3.859
   28    HD2  TYR   3           HD2      TYR   3  -3.675   7.067  -1.708
   29    HE1  TYR   3           HE1      TYR   3  -6.893   9.082  -4.816
   30    HE2  TYR   3           HE2      TYR   3  -3.244   9.256  -2.669
   31    HH   TYR   3           HH       TYR   3  -3.780  10.657  -4.314
   32    H    GLN   4           H        GLN   4  -6.486   2.853  -3.078
   33    HA   GLN   4           HA       GLN   4  -7.019   1.079  -0.726
   34   1HB   GLN   4          1HB       GLN   4  -8.768   0.806  -2.484
   35   2HB   GLN   4          2HB       GLN   4  -7.522   0.548  -3.700
   36   1HG   GLN   4          2HG       GLN   4  -8.584  -1.569  -3.000
   37   2HG   GLN   4          1HG       GLN   4  -6.873  -1.578  -2.650
   38   1HE2  GLN   4          2HE2      GLN   4  -6.474  -2.448  -0.615
   39   2HE2  GLN   4          1HE2      GLN   4  -7.500  -2.313   0.734
   40    H    CYS   5           H        CYS   5  -5.824  -0.991  -0.991
   41    HA   CYS   5           HA       CYS   5  -3.001  -0.487  -1.830
   42   1HB   CYS   5          1HB       CYS   5  -3.271  -1.027   0.548
   43   2HB   CYS   5          2HB       CYS   5  -4.235  -2.450   0.157
   44    H    GLN   6           H        GLN   6  -5.442  -3.008  -1.617
   45    HA   GLN   6           HA       GLN   6  -6.218  -4.588  -3.144
   46   1HB   GLN   6          1HB       GLN   6  -5.434  -2.811  -4.953
   47   2HB   GLN   6          2HB       GLN   6  -4.005  -3.815  -5.108
   48   1HG   GLN   6          2HG       GLN   6  -5.548  -5.799  -5.609
   49   2HG   GLN   6          1HG       GLN   6  -6.874  -4.655  -5.634
   50   1HE2  GLN   6          1HE2      GLN   6  -4.183  -3.017  -6.892
   51   2HE2  GLN   6          2HE2      GLN   6  -4.469  -3.341  -8.531
   52    H    TYR   7           H        TYR   7  -3.745  -4.673  -1.302
   53    HA   TYR   7           HA       TYR   7  -2.741  -7.325  -2.262
   54   1HB   TYR   7          1HB       TYR   7  -1.090  -5.160  -0.868
   55   2HB   TYR   7          2HB       TYR   7  -0.487  -6.708  -1.426
   56    HD1  TYR   7           HD1      TYR   7  -1.369  -7.225  -4.011
   57    HD2  TYR   7           HD2      TYR   7  -0.652  -3.360  -2.372
   58    HE1  TYR   7           HE1      TYR   7  -1.110  -6.320  -6.262
   59    HE2  TYR   7           HE2      TYR   7  -0.395  -2.461  -4.632
   60    HH   TYR   7           HH       TYR   7  -0.674  -4.546  -7.498
   61    H    CYS   8           H        CYS   8  -3.201  -5.321   0.706
   62    HA   CYS   8           HA       CYS   8  -3.468  -7.887   2.200
   63   1HB   CYS   8          1HB       CYS   8  -2.677  -6.598   4.142
   64   2HB   CYS   8          2HB       CYS   8  -1.502  -6.577   2.859
   65    H    GLU   9           H        GLU   9  -4.337  -5.289   4.013
   66    HA   GLU   9           HA       GLU   9  -7.171  -5.170   3.078
   67   1HB   GLU   9          1HB       GLU   9  -6.497  -5.640   6.013
   68   2HB   GLU   9          2HB       GLU   9  -8.080  -5.645   5.285
   69   1HG   GLU   9          2HG       GLU   9  -7.639  -7.939   5.628
   70   2HG   GLU   9          1HG       GLU   9  -7.312  -7.704   3.924
   71    H    LEU  10           H        LEU  10  -4.879  -3.308   3.138
   72    HA   LEU  10           HA       LEU  10  -5.946  -1.211   4.981
   73   1HB   LEU  10          1HB       LEU  10  -3.679  -1.870   5.434
   74   2HB   LEU  10          2HB       LEU  10  -3.198  -1.622   3.756
   75    HG   LEU  10           HG       LEU  10  -4.314   0.736   5.299
   76   1HD1  LEU  10          1HD1      LEU  10  -2.641  -0.309   6.819
   77   2HD1  LEU  10          2HD1      LEU  10  -2.029   1.204   6.172
   78   3HD1  LEU  10          3HD1      LEU  10  -1.459  -0.329   5.524
   79   1HD2  LEU  10          1HD2      LEU  10  -2.052   0.425   3.244
   80   2HD2  LEU  10          2HD2      LEU  10  -2.670   1.945   3.861
   81   3HD2  LEU  10          3HD2      LEU  10  -3.667   0.945   2.832
   82    H    ARG  11           H        ARG  11  -6.072   0.870   4.383
   83    HA   ARG  11           HA       ARG  11  -6.324   1.517   1.469
   84   1HB   ARG  11          1HB       ARG  11  -8.088   2.556   3.735
   85   2HB   ARG  11          2HB       ARG  11  -8.271   2.952   2.044
   86   1HG   ARG  11          2HG       ARG  11  -8.643   0.397   1.683
   87   2HG   ARG  11          1HG       ARG  11  -8.789   0.300   3.431
   88   1HD   ARG  11          2HD       ARG  11 -10.562   2.198   3.241
   89   2HD   ARG  11          1HD       ARG  11 -10.521   1.920   1.511
   90    HE   ARG  11           HE       ARG  11 -12.329   0.566   2.410
   91   1HH1  ARG  11          1HH2      ARG  11 -10.111  -1.329   1.341
   92   2HH1  ARG  11          2HH2      ARG  11 -10.202  -2.569   2.541
   93   1HH2  ARG  11          2HH1      ARG  11 -12.045  -0.616   4.765
   94   2HH2  ARG  11          1HH1      ARG  11 -11.314  -2.165   4.512
   95    H    SER  12           H        SER  12  -5.881   3.807   1.071
   96    HA   SER  12           HA       SER  12  -4.303   5.148   3.246
   97   1HB   SER  12          2HB       SER  12  -3.620   4.929   0.284
   98   2HB   SER  12          1HB       SER  12  -2.716   5.916   1.444
   99    HG   SER  12           HG       SER  12  -3.161   3.461   2.456
  100    H    ALA  13           H        ALA  13  -3.992   7.488   2.789
  101    HA   ALA  13           HA       ALA  13  -6.543   8.660   1.754
  102   1HB   ALA  13          1HB       ALA  13  -4.556   9.757   3.775
  103   2HB   ALA  13          2HB       ALA  13  -6.107   9.017   4.153
  104   3HB   ALA  13          3HB       ALA  13  -6.049  10.543   3.281
  105    H    ASP  14           H        ASP  14  -3.078   9.402   2.040
  106    HA   ASP  14           HA       ASP  14  -3.326  11.079  -0.429
  107   1HB   ASP  14          1HB       ASP  14  -2.506  12.311   1.550
  108   2HB   ASP  14          2HB       ASP  14  -1.224  11.138   1.772
  109    H    SER  15           H        SER  15  -1.741  10.987  -1.946
  110    HA   SER  15           HA       SER  15  -1.022   8.510  -2.980
  111   1HB   SER  15          2HB       SER  15   0.321  11.224  -3.402
  112   2HB   SER  15          1HB       SER  15   0.454   9.843  -4.508
  113    HG   SER  15           HG       SER  15  -1.559  11.586  -4.214
  114    H    SER  16           H        SER  16   1.149  10.757  -1.328
  115    HA   SER  16           HA       SER  16   3.513   9.304  -1.207
  116   1HB   SER  16          2HB       SER  16   3.204  11.651  -0.312
  117   2HB   SER  16          1HB       SER  16   2.368  10.972   1.096
  118    HG   SER  16           HG       SER  16   4.254  10.539   1.854
  119    H    ASN  17           H        ASN  17   1.122   9.345   1.382
  120    HA   ASN  17           HA       ASN  17   2.027   7.364   3.058
  121   1HB   ASN  17          1HB       ASN  17  -0.872   7.928   2.265
  122   2HB   ASN  17          2HB       ASN  17  -0.395   6.999   3.679
  123   1HD2  ASN  17          2HD2      ASN  17  -0.512   8.266   5.513
  124   2HD2  ASN  17          1HD2      ASN  17  -0.102   9.909   5.600
  125    H    LEU  18           H        LEU  18  -0.275   6.751   0.441
  126    HA   LEU  18           HA       LEU  18  -0.327   3.959   0.652
  127   1HB   LEU  18          1HB       LEU  18  -1.895   5.432  -0.771
  128   2HB   LEU  18          2HB       LEU  18  -0.574   5.686  -1.897
  129    HG   LEU  18           HG       LEU  18  -2.400   4.011  -2.552
  130   1HD1  LEU  18          1HD1      LEU  18  -0.823   2.506  -3.685
  131   2HD1  LEU  18          2HD1      LEU  18   0.491   3.032  -2.662
  132   3HD1  LEU  18          3HD1      LEU  18  -0.259   4.158  -3.781
  133   1HD2  LEU  18          1HD2      LEU  18  -2.106   1.692  -1.722
  134   2HD2  LEU  18          2HD2      LEU  18  -2.578   2.780  -0.434
  135   3HD2  LEU  18          3HD2      LEU  18  -0.912   2.241  -0.568
  136    H    LYS  19           H        LYS  19   1.697   5.753  -1.645
  137    HA   LYS  19           HA       LYS  19   3.065   3.518  -2.705
  138   1HB   LYS  19          1HB       LYS  19   4.118   6.330  -2.179
  139   2HB   LYS  19          2HB       LYS  19   4.923   5.152  -3.205
  140   1HG   LYS  19          2HG       LYS  19   2.749   4.976  -4.545
  141   2HG   LYS  19          1HG       LYS  19   2.139   6.334  -3.631
  142   1HD   LYS  19          2HD       LYS  19   4.650   6.366  -5.366
  143   2HD   LYS  19          1HD       LYS  19   3.089   7.009  -5.833
  144   1HE   LYS  19          2HE       LYS  19   4.727   8.025  -3.466
  145   2HE   LYS  19          1HE       LYS  19   4.616   8.803  -5.035
  146   1HZ   LYS  19          1HZ       LYS  19   2.870   9.018  -2.875
  147   2HZ   LYS  19          2HZ       LYS  19   2.022   8.300  -4.153
  148   3HZ   LYS  19          3HZ       LYS  19   2.788   9.796  -4.380
  149    H    THR  20           H        THR  20   3.948   5.508   0.092
  150    HA   THR  20           HA       THR  20   6.284   4.194   0.894
  151    HB   THR  20           HB       THR  20   4.141   5.455   2.731
  152    HG1  THR  20           HG1      THR  20   6.280   6.935   2.069
  153   1HG2  THR  20          1HG2      THR  20   6.086   4.219   3.903
  154   2HG2  THR  20          2HG2      THR  20   6.106   5.956   4.169
  155   3HG2  THR  20          3HG2      THR  20   7.198   5.231   2.998
  156    H    HIS  21           H        HIS  21   2.905   3.518   1.911
  157    HA   HIS  21           HA       HIS  21   3.377   1.345   3.595
  158   1HB   HIS  21          1HB       HIS  21   1.145   2.239   3.414
  159   2HB   HIS  21          2HB       HIS  21   1.059   1.949   1.689
  160    HD1  HIS  21           HD1      HIS  21   1.263  -0.065   4.852
  161    HD2  HIS  21           HD2      HIS  21   0.063  -0.506   0.975
  162    HE1  HIS  21           HE1      HIS  21   0.209  -2.296   4.704
  163    H    ILE  22           H        ILE  22   2.595   1.141   0.150
  164    HA   ILE  22           HA       ILE  22   3.055  -1.631  -0.174
  165    HB   ILE  22           HB       ILE  22   3.250   0.666  -2.185
  166   1HG1  ILE  22          2HG1      ILE  22   0.990  -1.238  -1.361
  167   2HG1  ILE  22          1HG1      ILE  22   1.063   0.468  -0.989
  168   1HG2  ILE  22          1HG2      ILE  22   2.912  -2.337  -2.713
  169   2HG2  ILE  22          2HG2      ILE  22   4.357  -1.414  -3.080
  170   3HG2  ILE  22          3HG2      ILE  22   2.870  -1.078  -3.935
  171   1HD1  ILE  22          1HD       ILE  22   0.937   0.994  -3.424
  172   2HD1  ILE  22          2HD       ILE  22  -0.458   0.095  -2.857
  173   3HD1  ILE  22          3HD       ILE  22   0.787  -0.718  -3.774
  174    H    LYS  23           H        LYS  23   5.350   0.945  -0.025
  175    HA   LYS  23           HA       LYS  23   7.565  -0.498  -1.214
  176   1HB   LYS  23          1HB       LYS  23   7.299   2.088  -0.979
  177   2HB   LYS  23          2HB       LYS  23   7.688   1.872   0.691
  178   1HG   LYS  23          2HG       LYS  23   9.742   2.476  -0.326
  179   2HG   LYS  23          1HG       LYS  23   9.869   0.787   0.080
  180   1HD   LYS  23          2HD       LYS  23  10.827   1.031  -2.101
  181   2HD   LYS  23          1HD       LYS  23   9.286   0.251  -2.370
  182   1HE   LYS  23          2HE       LYS  23   9.721   3.264  -2.612
  183   2HE   LYS  23          1HE       LYS  23   9.819   2.166  -3.974
  184   1HZ   LYS  23          1HZ       LYS  23   7.556   3.340  -2.850
  185   2HZ   LYS  23          2HZ       LYS  23   7.418   1.657  -2.657
  186   3HZ   LYS  23          3HZ       LYS  23   7.658   2.313  -4.197
  187    H    THR  24           H        THR  24   6.693   0.285   2.111
  188    HA   THR  24           HA       THR  24   8.843  -1.381   3.174
  189    HB   THR  24           HB       THR  24   7.987  -0.546   5.444
  190    HG1  THR  24           HG1      THR  24   5.916  -0.220   5.321
  191   1HG2  THR  24          1HG2      THR  24   7.919   1.704   3.347
  192   2HG2  THR  24          2HG2      THR  24   9.415   1.070   4.014
  193   3HG2  THR  24          3HG2      THR  24   8.261   1.877   5.060
  194    H    LYS  25           H        LYS  25   5.451  -1.800   2.825
  195    HA   LYS  25           HA       LYS  25   5.546  -4.299   4.433
  196   1HB   LYS  25          1HB       LYS  25   3.155  -2.808   3.262
  197   2HB   LYS  25          2HB       LYS  25   3.081  -4.182   4.359
  198   1HG   LYS  25          2HG       LYS  25   4.181  -1.412   4.994
  199   2HG   LYS  25          1HG       LYS  25   2.705  -2.122   5.614
  200   1HD   LYS  25          2HD       LYS  25   4.094  -3.946   6.703
  201   2HD   LYS  25          1HD       LYS  25   5.543  -3.088   6.208
  202   1HE   LYS  25          2HE       LYS  25   3.383  -1.977   8.032
  203   2HE   LYS  25          1HE       LYS  25   4.970  -2.539   8.529
  204   1HZ   LYS  25          1HZ       LYS  25   5.337  -0.624   6.513
  205   2HZ   LYS  25          2HZ       LYS  25   5.759  -0.559   8.150
  206   3HZ   LYS  25          3HZ       LYS  25   4.236  -0.014   7.643
  207    H    HIS  26           H        HIS  26   5.373  -3.135   1.194
  208    HA   HIS  26           HA       HIS  26   5.096  -5.990   0.296
  209   1HB   HIS  26          1HB       HIS  26   3.748  -3.632  -1.103
  210   2HB   HIS  26          2HB       HIS  26   3.653  -5.323  -1.542
  211    HD1  HIS  26           HD1      HIS  26   2.825  -6.715   0.886
  212    HD2  HIS  26           HD2      HIS  26   1.401  -2.975   0.098
  213    HE1  HIS  26           HE1      HIS  26   0.728  -6.483   2.181
  214    H    SER  27           H        SER  27   7.478  -4.415   0.599
  215    HA   SER  27           HA       SER  27   8.871  -3.181  -1.252
  216   1HB   SER  27          2HB       SER  27  10.823  -4.824  -0.871
  217   2HB   SER  27          1HB       SER  27  10.014  -4.308   0.610
  218    HG   SER  27           HG       SER  27  10.240  -6.758  -0.370
  219    H    LYS  28           H        LYS  28   8.482  -6.602  -1.742
  220    HA   LYS  28           HA       LYS  28   8.587  -6.290  -4.724
  221   1HB   LYS  28          1HB       LYS  28   9.485  -8.671  -4.711
  222   2HB   LYS  28          2HB       LYS  28  10.567  -7.529  -3.919
  223   1HG   LYS  28          2HG       LYS  28   9.728  -8.237  -1.705
  224   2HG   LYS  28          1HG       LYS  28   8.590  -9.338  -2.467
  225   1HD   LYS  28          2HD       LYS  28  10.395 -10.700  -3.368
  226   2HD   LYS  28          1HD       LYS  28  11.603  -9.519  -2.893
  227   1HE   LYS  28          2HE       LYS  28  11.542 -11.407  -1.291
  228   2HE   LYS  28          1HE       LYS  28  11.049  -9.924  -0.491
  229   1HZ   LYS  28          1HZ       LYS  28   9.157 -10.856   0.034
  230   2HZ   LYS  28          2HZ       LYS  28   9.638 -12.303  -0.715
  231   3HZ   LYS  28          3HZ       LYS  28   8.784 -11.129  -1.601
  232    H    GLU  29           H        GLU  29   7.487  -8.334  -5.712
  233    HA   GLU  29           HA       GLU  29   5.248  -8.922  -6.279
  234   1HB   GLU  29          1HB       GLU  29   6.035 -10.512  -3.799
  235   2HB   GLU  29          2HB       GLU  29   4.706 -10.972  -4.842
  236   1HG   GLU  29          2HG       GLU  29   7.620 -10.674  -5.728
  237   2HG   GLU  29          1HG       GLU  29   6.810 -12.196  -5.412
  238    H    LYS  30           H        LYS  30   4.810  -6.676  -5.378
  239    HA   LYS  30           HA       LYS  30   3.682  -5.367  -3.598
  240   1HB   LYS  30          1HB       LYS  30   1.881  -6.193  -5.894
  241   2HB   LYS  30          2HB       LYS  30   1.699  -4.748  -4.903
  242   1HG   LYS  30          2HG       LYS  30   3.961  -3.975  -5.612
  243   2HG   LYS  30          1HG       LYS  30   4.110  -5.379  -6.654
  244   1HD   LYS  30          2HD       LYS  30   2.022  -4.656  -7.867
  245   2HD   LYS  30          1HD       LYS  30   2.003  -3.200  -6.884
  246   1HE   LYS  30          2HE       LYS  30   4.262  -2.583  -7.736
  247   2HE   LYS  30          1HE       LYS  30   4.274  -4.031  -8.736
  248   1HZ   LYS  30          1HZ       LYS  30   3.155  -1.553  -9.305
  249   2HZ   LYS  30          2HZ       LYS  30   1.881  -2.674  -9.201
  250   3HZ   LYS  30          3HZ       LYS  30   3.171  -2.952 -10.269
  Start of MODEL   13
    1   1H    LYS   1          1H        LYS   1 -10.527   9.183  -3.726
    2   2H    LYS   1          2H        LYS   1 -11.363  10.601  -4.146
    3   3H    LYS   1          3H        LYS   1 -12.131   9.092  -4.276
    4    HA   LYS   1           HA       LYS   1 -12.040  10.838  -2.082
    5   1HB   LYS   1          2HB       LYS   1 -13.190   8.016  -2.413
    6   2HB   LYS   1          1HB       LYS   1 -13.604   9.123  -1.119
    7   1HG   LYS   1          2HG       LYS   1 -14.496  10.745  -2.735
    8   2HG   LYS   1          1HG       LYS   1 -14.025   9.715  -4.079
    9   1HD   LYS   1          2HD       LYS   1 -15.545   7.922  -3.236
   10   2HD   LYS   1          1HD       LYS   1 -15.994   8.942  -1.879
   11   1HE   LYS   1          2HE       LYS   1 -17.701   9.095  -3.660
   12   2HE   LYS   1          1HE       LYS   1 -16.897  10.643  -3.447
   13   1HZ   LYS   1          1HZ       LYS   1 -15.446   9.178  -5.327
   14   2HZ   LYS   1          2HZ       LYS   1 -16.340  10.605  -5.551
   15   3HZ   LYS   1          3HZ       LYS   1 -17.083   9.092  -5.757
   16    H    THR   2           H        THR   2 -11.293   7.384  -2.184
   17    HA   THR   2           HA       THR   2  -9.208   7.773  -0.068
   18    HB   THR   2           HB       THR   2 -11.071   5.361  -0.356
   19    HG1  THR   2           HG1      THR   2 -11.424   7.850   0.644
   20   1HG2  THR   2          1HG2      THR   2  -8.937   4.955   1.003
   21   2HG2  THR   2          2HG2      THR   2 -10.391   4.914   1.974
   22   3HG2  THR   2          3HG2      THR   2  -9.373   6.342   1.996
   23    H    TYR   3           H        TYR   3  -7.700   5.976  -0.039
   24    HA   TYR   3           HA       TYR   3  -7.032   4.874  -2.741
   25   1HB   TYR   3          1HB       TYR   3  -5.137   5.930  -0.574
   26   2HB   TYR   3          2HB       TYR   3  -4.628   5.186  -2.080
   27    HD1  TYR   3           HD1      TYR   3  -6.807   8.028  -0.891
   28    HD2  TYR   3           HD2      TYR   3  -4.196   6.537  -3.898
   29    HE1  TYR   3           HE1      TYR   3  -6.942  10.162  -2.071
   30    HE2  TYR   3           HE2      TYR   3  -4.326   8.672  -5.059
   31    HH   TYR   3           HH       TYR   3  -6.344  11.331  -3.811
   32    H    GLN   4           H        GLN   4  -6.458   2.686  -2.703
   33    HA   GLN   4           HA       GLN   4  -6.412   1.366  -0.011
   34   1HB   GLN   4          1HB       GLN   4  -8.592   1.174  -1.322
   35   2HB   GLN   4          2HB       GLN   4  -7.719   0.229  -2.527
   36   1HG   GLN   4          2HG       GLN   4  -7.749  -1.655  -1.235
   37   2HG   GLN   4          1HG       GLN   4  -7.317  -0.790   0.232
   38   1HE2  GLN   4          2HE2      GLN   4  -8.878  -0.901   1.734
   39   2HE2  GLN   4          1HE2      GLN   4 -10.554  -0.923   1.465
   40    H    CYS   5           H        CYS   5  -5.660  -1.002  -0.304
   41    HA   CYS   5           HA       CYS   5  -3.073  -0.959  -1.790
   42   1HB   CYS   5          1HB       CYS   5  -2.969  -1.150   0.672
   43   2HB   CYS   5          2HB       CYS   5  -3.983  -2.593   0.607
   44    H    GLN   6           H        GLN   6  -2.376  -3.021  -2.674
   45    HA   GLN   6           HA       GLN   6  -4.642  -4.708  -3.691
   46   1HB   GLN   6          1HB       GLN   6  -3.452  -3.107  -5.327
   47   2HB   GLN   6          2HB       GLN   6  -2.014  -4.076  -5.093
   48   1HG   GLN   6          2HG       GLN   6  -3.243  -6.087  -5.991
   49   2HG   GLN   6          1HG       GLN   6  -4.659  -5.081  -6.238
   50   1HE2  GLN   6          1HE2      GLN   6  -1.757  -3.333  -6.859
   51   2HE2  GLN   6          2HE2      GLN   6  -1.747  -3.501  -8.544
   52    H    TYR   7           H        TYR   7  -2.988  -5.030  -1.291
   53    HA   TYR   7           HA       TYR   7  -1.929  -7.758  -1.860
   54   1HB   TYR   7          1HB       TYR   7  -0.504  -5.625  -0.231
   55   2HB   TYR   7          2HB       TYR   7   0.079  -7.262  -0.480
   56    HD1  TYR   7           HD1      TYR   7   0.209  -8.017  -3.042
   57    HD2  TYR   7           HD2      TYR   7   0.202  -3.959  -1.752
   58    HE1  TYR   7           HE1      TYR   7   1.193  -7.338  -5.176
   59    HE2  TYR   7           HE2      TYR   7   1.180  -3.281  -3.891
   60    HH   TYR   7           HH       TYR   7   2.058  -3.960  -5.806
   61    H    CYS   8           H        CYS   8  -2.703  -5.453   0.709
   62    HA   CYS   8           HA       CYS   8  -3.760  -7.727   2.349
   63   1HB   CYS   8          1HB       CYS   8  -3.225  -6.430   4.322
   64   2HB   CYS   8          2HB       CYS   8  -1.821  -6.631   3.330
   65    H    GLU   9           H        GLU   9  -4.234  -4.329   1.652
   66    HA   GLU   9           HA       GLU   9  -6.488  -3.625   0.789
   67   1HB   GLU   9          1HB       GLU   9  -7.373  -5.129   3.315
   68   2HB   GLU   9          2HB       GLU   9  -8.300  -3.772   2.783
   69   1HG   GLU   9          2HG       GLU   9  -7.607  -6.044   0.887
   70   2HG   GLU   9          1HG       GLU   9  -9.104  -5.962   1.799
   71    H    LEU  10           H        LEU  10  -4.323  -3.042   3.159
   72    HA   LEU  10           HA       LEU  10  -5.293  -1.071   4.847
   73   1HB   LEU  10          1HB       LEU  10  -2.916  -1.820   4.829
   74   2HB   LEU  10          2HB       LEU  10  -2.645  -0.958   3.318
   75    HG   LEU  10           HG       LEU  10  -3.730   0.621   5.673
   76   1HD1  LEU  10          1HD1      LEU  10  -1.811  -0.703   6.602
   77   2HD1  LEU  10          2HD1      LEU  10  -1.409   1.000   6.485
   78   3HD1  LEU  10          3HD1      LEU  10  -0.795  -0.127   5.292
   79   1HD2  LEU  10          1HD2      LEU  10  -2.329   2.416   4.654
   80   2HD2  LEU  10          2HD2      LEU  10  -3.366   1.752   3.416
   81   3HD2  LEU  10          3HD2      LEU  10  -1.680   1.284   3.483
   82    H    ARG  11           H        ARG  11  -6.015   0.969   4.660
   83    HA   ARG  11           HA       ARG  11  -5.932   2.218   1.955
   84   1HB   ARG  11          1HB       ARG  11  -8.252   3.052   2.462
   85   2HB   ARG  11          2HB       ARG  11  -8.117   1.321   2.294
   86   1HG   ARG  11          2HG       ARG  11  -7.948   1.269   4.918
   87   2HG   ARG  11          1HG       ARG  11  -8.526   2.926   4.845
   88   1HD   ARG  11          2HD       ARG  11 -10.516   1.600   5.005
   89   2HD   ARG  11          1HD       ARG  11 -10.421   1.973   3.291
   90    HE   ARG  11           HE       ARG  11  -9.121  -0.343   3.215
   91   1HH1  ARG  11          1HH2      ARG  11 -11.208   0.153   5.864
   92   2HH1  ARG  11          2HH2      ARG  11 -12.068  -1.333   5.629
   93   1HH2  ARG  11          1HH1      ARG  11 -10.493  -2.131   2.635
   94   2HH2  ARG  11          2HH1      ARG  11 -11.657  -2.605   3.814
   95    H    SER  12           H        SER  12  -5.702   4.259   1.761
   96    HA   SER  12           HA       SER  12  -5.080   6.024   4.089
   97   1HB   SER  12          2HB       SER  12  -2.959   5.209   2.861
   98   2HB   SER  12          1HB       SER  12  -3.589   5.984   1.403
   99    HG   SER  12           HG       SER  12  -3.714   7.617   3.576
  100    H    ALA  13           H        ALA  13  -4.816   8.333   2.952
  101    HA   ALA  13           HA       ALA  13  -7.329   8.862   1.409
  102   1HB   ALA  13          1HB       ALA  13  -5.904  10.621   3.433
  103   2HB   ALA  13          2HB       ALA  13  -7.399   9.750   3.717
  104   3HB   ALA  13          3HB       ALA  13  -7.364  11.063   2.552
  105    H    ASP  14           H        ASP  14  -4.017   8.969   1.305
  106    HA   ASP  14           HA       ASP  14  -4.029  10.761  -1.073
  107   1HB   ASP  14          1HB       ASP  14  -1.760  11.636  -0.184
  108   2HB   ASP  14          2HB       ASP  14  -3.170  12.161   0.727
  109    H    SER  15           H        SER  15  -1.654  10.685  -1.975
  110    HA   SER  15           HA       SER  15  -0.970   7.807  -2.430
  111   1HB   SER  15          2HB       SER  15  -0.815  10.207  -4.297
  112   2HB   SER  15          1HB       SER  15  -0.058   8.646  -4.665
  113    HG   SER  15           HG       SER  15  -2.593   9.331  -4.884
  114    H    SER  16           H        SER  16   0.051   9.316  -0.249
  115    HA   SER  16           HA       SER  16   2.940   9.659  -0.960
  116   1HB   SER  16          2HB       SER  16   1.814  11.811  -0.147
  117   2HB   SER  16          1HB       SER  16   1.374  10.995   1.353
  118    HG   SER  16           HG       SER  16   3.673  12.092   0.715
  119    H    ASN  17           H        ASN  17   0.669   8.899   1.580
  120    HA   ASN  17           HA       ASN  17   2.469   7.214   3.097
  121   1HB   ASN  17          1HB       ASN  17   0.744   8.437   4.282
  122   2HB   ASN  17          2HB       ASN  17  -0.516   7.804   3.233
  123   1HD2  ASN  17          2HD2      ASN  17  -1.700   6.270   4.216
  124   2HD2  ASN  17          1HD2      ASN  17  -1.156   5.143   5.371
  125    H    LEU  18           H        LEU  18  -0.266   6.683   0.919
  126    HA   LEU  18           HA       LEU  18  -0.361   3.863   1.176
  127   1HB   LEU  18          1HB       LEU  18  -2.060   5.504   0.060
  128   2HB   LEU  18          2HB       LEU  18  -0.990   5.536  -1.337
  129    HG   LEU  18           HG       LEU  18  -3.006   4.054  -1.533
  130   1HD1  LEU  18          1HD1      LEU  18  -0.321   2.691  -1.836
  131   2HD1  LEU  18          2HD1      LEU  18  -1.126   3.682  -3.030
  132   3HD1  LEU  18          3HD1      LEU  18  -1.809   2.135  -2.567
  133   1HD2  LEU  18          1HD2      LEU  18  -3.014   1.852  -0.435
  134   2HD2  LEU  18          2HD2      LEU  18  -3.086   3.138   0.751
  135   3HD2  LEU  18          3HD2      LEU  18  -1.582   2.269   0.477
  136    H    LYS  19           H        LYS  19   1.366   5.780  -1.304
  137    HA   LYS  19           HA       LYS  19   2.567   3.657  -2.680
  138   1HB   LYS  19          1HB       LYS  19   2.743   6.115  -3.272
  139   2HB   LYS  19          2HB       LYS  19   3.896   6.331  -1.977
  140   1HG   LYS  19          2HG       LYS  19   4.332   4.346  -4.262
  141   2HG   LYS  19          1HG       LYS  19   4.853   6.013  -4.362
  142   1HD   LYS  19          2HD       LYS  19   6.331   5.689  -2.377
  143   2HD   LYS  19          1HD       LYS  19   5.873   4.002  -2.277
  144   1HE   LYS  19          2HE       LYS  19   6.731   3.578  -4.543
  145   2HE   LYS  19          1HE       LYS  19   7.250   5.252  -4.660
  146   1HZ   LYS  19          1HZ       LYS  19   9.083   4.727  -3.585
  147   2HZ   LYS  19          2HZ       LYS  19   8.591   3.106  -3.498
  148   3HZ   LYS  19          3HZ       LYS  19   8.195   4.180  -2.245
  149    H    THR  20           H        THR  20   4.080   5.462   0.019
  150    HA   THR  20           HA       THR  20   6.289   3.794   0.396
  151    HB   THR  20           HB       THR  20   6.201   4.713   2.829
  152    HG1  THR  20           HG1      THR  20   4.134   6.301   1.860
  153   1HG2  THR  20          1HG2      THR  20   6.528   7.081   2.092
  154   2HG2  THR  20          2HG2      THR  20   5.731   6.743   0.562
  155   3HG2  THR  20          3HG2      THR  20   7.293   6.020   0.922
  156    H    HIS  21           H        HIS  21   3.016   3.373   1.853
  157    HA   HIS  21           HA       HIS  21   3.588   1.287   3.604
  158   1HB   HIS  21          1HB       HIS  21   1.328   2.095   3.590
  159   2HB   HIS  21          2HB       HIS  21   1.135   1.837   1.870
  160    HD1  HIS  21           HD1      HIS  21   1.809  -0.350   4.881
  161    HD2  HIS  21           HD2      HIS  21  -0.102  -0.538   1.270
  162    HE1  HIS  21           HE1      HIS  21   0.733  -2.576   4.762
  163    H    ILE  22           H        ILE  22   2.467   0.787   0.253
  164    HA   ILE  22           HA       ILE  22   2.914  -1.980   0.091
  165    HB   ILE  22           HB       ILE  22   3.170   0.124  -2.123
  166   1HG1  ILE  22          2HG1      ILE  22   1.026  -1.083  -2.924
  167   2HG1  ILE  22          1HG1      ILE  22   0.975  -1.835  -1.346
  168   1HG2  ILE  22          1HG2      ILE  22   3.185  -2.916  -2.459
  169   2HG2  ILE  22          2HG2      ILE  22   4.544  -1.852  -2.803
  170   3HG2  ILE  22          3HG2      ILE  22   3.091  -1.757  -3.769
  171   1HD1  ILE  22          1HD       ILE  22   0.987   1.127  -1.880
  172   2HD1  ILE  22          2HD       ILE  22   0.838   0.407  -0.287
  173   3HD1  ILE  22          3HD       ILE  22  -0.436   0.184  -1.461
  174    H    LYS  23           H        LYS  23   5.155   0.496  -1.062
  175    HA   LYS  23           HA       LYS  23   7.346  -0.909  -1.811
  176   1HB   LYS  23          1HB       LYS  23   7.131   1.529  -1.833
  177   2HB   LYS  23          2HB       LYS  23   7.190   1.612  -0.099
  178   1HG   LYS  23          2HG       LYS  23   9.515   0.554  -1.725
  179   2HG   LYS  23          1HG       LYS  23   9.296   2.265  -1.431
  180   1HD   LYS  23          2HD       LYS  23   9.238   1.699   1.083
  181   2HD   LYS  23          1HD       LYS  23   9.801   0.094   0.655
  182   1HE   LYS  23          2HE       LYS  23  11.739   1.439   1.192
  183   2HE   LYS  23          1HE       LYS  23  11.764   1.163  -0.544
  184   1HZ   LYS  23          1HZ       LYS  23  11.722   3.333  -0.865
  185   2HZ   LYS  23          2HZ       LYS  23  11.729   3.591   0.811
  186   3HZ   LYS  23          3HZ       LYS  23  10.256   3.468  -0.021
  187    H    THR  24           H        THR  24   6.762  -0.103   1.585
  188    HA   THR  24           HA       THR  24   8.987  -1.769   2.461
  189    HB   THR  24           HB       THR  24   6.987  -0.206   4.160
  190    HG1  THR  24           HG1      THR  24   7.906   1.184   2.860
  191   1HG2  THR  24          1HG2      THR  24   8.599  -1.841   5.377
  192   2HG2  THR  24          2HG2      THR  24   8.904  -0.153   5.744
  193   3HG2  THR  24          3HG2      THR  24   9.929  -0.997   4.592
  194    H    LYS  25           H        LYS  25   5.543  -2.020   2.911
  195    HA   LYS  25           HA       LYS  25   5.777  -4.480   4.506
  196   1HB   LYS  25          1HB       LYS  25   3.418  -2.798   3.596
  197   2HB   LYS  25          2HB       LYS  25   3.204  -4.311   4.465
  198   1HG   LYS  25          2HG       LYS  25   3.075  -2.431   6.020
  199   2HG   LYS  25          1HG       LYS  25   4.490  -3.401   6.377
  200   1HD   LYS  25          2HD       LYS  25   5.972  -1.792   5.370
  201   2HD   LYS  25          1HD       LYS  25   4.642  -0.870   4.686
  202   1HE   LYS  25          2HE       LYS  25   5.187  -1.270   7.668
  203   2HE   LYS  25          1HE       LYS  25   5.607   0.174   6.756
  204   1HZ   LYS  25          1HZ       LYS  25   3.178  -0.461   7.960
  205   2HZ   LYS  25          2HZ       LYS  25   2.915  -0.414   6.282
  206   3HZ   LYS  25          3HZ       LYS  25   3.584   0.928   7.076
  207    H    HIS  26           H        HIS  26   5.670  -3.830   1.179
  208    HA   HIS  26           HA       HIS  26   5.130  -6.611   0.513
  209   1HB   HIS  26          1HB       HIS  26   3.651  -4.304  -0.853
  210   2HB   HIS  26          2HB       HIS  26   3.461  -6.014  -1.201
  211    HD1  HIS  26           HD1      HIS  26   2.641  -7.173   1.423
  212    HD2  HIS  26           HD2      HIS  26   1.468  -3.417   0.334
  213    HE1  HIS  26           HE1      HIS  26   0.618  -6.660   2.753
  214    H    SER  27           H        SER  27   8.050  -5.118  -1.127
  215    HA   SER  27           HA       SER  27   7.469  -5.820   1.611
  216   1HB   SER  27          2HB       SER  27   8.117  -8.303   1.327
  217   2HB   SER  27          1HB       SER  27   6.590  -7.946   0.538
  218    HG   SER  27           HG       SER  27   7.523  -8.488  -1.234
  219    H    LYS  28           H        LYS  28   9.209  -4.042   0.468
  220    HA   LYS  28           HA       LYS  28  11.313  -3.258   1.139
  221   1HB   LYS  28          1HB       LYS  28  12.288  -6.191   1.209
  222   2HB   LYS  28          2HB       LYS  28  13.220  -4.775   1.635
  223   1HG   LYS  28          2HG       LYS  28  10.724  -5.609   3.153
  224   2HG   LYS  28          1HG       LYS  28  12.362  -6.031   3.606
  225   1HD   LYS  28          2HD       LYS  28  12.908  -3.545   3.649
  226   2HD   LYS  28          1HD       LYS  28  11.198  -3.219   3.410
  227   1HE   LYS  28          2HE       LYS  28  12.265  -4.887   5.736
  228   2HE   LYS  28          1HE       LYS  28  11.906  -3.173   5.834
  229   1HZ   LYS  28          1HZ       LYS  28  10.161  -5.344   6.054
  230   2HZ   LYS  28          2HZ       LYS  28   9.661  -4.388   4.735
  231   3HZ   LYS  28          3HZ       LYS  28   9.851  -3.691   6.261
  232    H    GLU  29           H        GLU  29  13.288  -2.984  -0.061
  233    HA   GLU  29           HA       GLU  29  13.275  -4.149  -2.815
  234   1HB   GLU  29          1HB       GLU  29  13.531  -1.217  -2.029
  235   2HB   GLU  29          2HB       GLU  29  14.012  -1.814  -3.602
  236   1HG   GLU  29          2HG       GLU  29  11.766  -1.031  -3.896
  237   2HG   GLU  29          1HG       GLU  29  11.672  -2.774  -3.899
  238    H    LYS  30           H        LYS  30  15.197  -2.079  -0.680
  239    HA   LYS  30           HA       LYS  30  17.659  -3.582  -1.500
  240   1HB   LYS  30          1HB       LYS  30  18.913  -1.510  -1.173
  241   2HB   LYS  30          2HB       LYS  30  17.558  -1.179  -2.248
  242   1HG   LYS  30          2HG       LYS  30  16.252  -0.317  -0.267
  243   2HG   LYS  30          1HG       LYS  30  17.679  -0.541   0.733
  244   1HD   LYS  30          2HD       LYS  30  18.945   1.010  -0.815
  245   2HD   LYS  30          1HD       LYS  30  17.457   1.276  -1.701
  246   1HE   LYS  30          2HE       LYS  30  17.729   3.100  -0.091
  247   2HE   LYS  30          1HE       LYS  30  16.388   2.098   0.446
  248   1HZ   LYS  30          1HZ       LYS  30  18.762   1.068   1.519
  249   2HZ   LYS  30          2HZ       LYS  30  17.437   1.749   2.332
  250   3HZ   LYS  30          3HZ       LYS  30  18.717   2.739   1.819
  Start of MODEL   14
    1   1H    LYS   1          1H        LYS   1 -14.715   9.028  -0.259
    2   2H    LYS   1          2H        LYS   1 -13.688   9.594  -1.486
    3   3H    LYS   1          3H        LYS   1 -13.060   9.241   0.049
    4    HA   LYS   1           HA       LYS   1 -14.376   6.974  -0.843
    5   1HB   LYS   1          2HB       LYS   1 -14.152   7.827  -3.131
    6   2HB   LYS   1          1HB       LYS   1 -12.486   8.273  -2.864
    7   1HG   LYS   1          2HG       LYS   1 -12.473   6.307  -4.221
    8   2HG   LYS   1          1HG       LYS   1 -11.915   5.813  -2.652
    9   1HD   LYS   1          2HD       LYS   1 -14.829   5.478  -3.452
   10   2HD   LYS   1          1HD       LYS   1 -13.625   4.308  -3.931
   11   1HE   LYS   1          2HE       LYS   1 -14.362   4.995  -1.043
   12   2HE   LYS   1          1HE       LYS   1 -14.723   3.526  -1.919
   13   1HZ   LYS   1          1HZ       LYS   1 -11.984   3.946  -2.121
   14   2HZ   LYS   1          2HZ       LYS   1 -12.811   2.715  -1.293
   15   3HZ   LYS   1          3HZ       LYS   1 -12.417   4.161  -0.497
   16    H    THR   2           H        THR   2 -11.181   8.416  -1.160
   17    HA   THR   2           HA       THR   2  -9.241   8.235   0.162
   18    HB   THR   2           HB       THR   2 -10.490   5.750   1.567
   19    HG1  THR   2           HG1      THR   2 -10.467   7.958   3.030
   20   1HG2  THR   2          1HG2      THR   2  -7.993   6.122   1.958
   21   2HG2  THR   2          2HG2      THR   2  -8.959   6.370   3.395
   22   3HG2  THR   2          3HG2      THR   2  -8.369   7.754   2.492
   23    H    TYR   3           H        TYR   3  -7.435   6.520   0.291
   24    HA   TYR   3           HA       TYR   3  -7.520   4.872  -2.201
   25   1HB   TYR   3          1HB       TYR   3  -5.387   6.425  -0.786
   26   2HB   TYR   3          2HB       TYR   3  -4.868   4.895  -1.463
   27    HD1  TYR   3           HD1      TYR   3  -7.085   7.765  -2.557
   28    HD2  TYR   3           HD2      TYR   3  -4.005   5.005  -3.587
   29    HE1  TYR   3           HE1      TYR   3  -6.946   8.739  -4.801
   30    HE2  TYR   3           HE2      TYR   3  -3.875   5.979  -5.819
   31    HH   TYR   3           HH       TYR   3  -5.987   8.656  -6.799
   32    H    GLN   4           H        GLN   4  -6.931   2.780  -2.196
   33    HA   GLN   4           HA       GLN   4  -6.620   1.370   0.428
   34   1HB   GLN   4          1HB       GLN   4  -8.890   1.049  -0.644
   35   2HB   GLN   4          2HB       GLN   4  -8.101   0.420  -2.088
   36   1HG   GLN   4          2HG       GLN   4  -7.160  -1.465  -0.602
   37   2HG   GLN   4          1HG       GLN   4  -8.168  -0.845   0.693
   38   1HE2  GLN   4          1HE2      GLN   4  -7.978  -2.869  -1.967
   39   2HE2  GLN   4          2HE2      GLN   4  -9.625  -3.263  -2.153
   40    H    CYS   5           H        CYS   5  -5.656  -0.902  -0.054
   41    HA   CYS   5           HA       CYS   5  -3.264  -0.587  -1.797
   42   1HB   CYS   5          1HB       CYS   5  -2.907  -1.087   0.612
   43   2HB   CYS   5          2HB       CYS   5  -3.901  -2.533   0.453
   44    H    GLN   6           H        GLN   6  -2.560  -2.537  -2.944
   45    HA   GLN   6           HA       GLN   6  -4.839  -4.207  -3.942
   46   1HB   GLN   6          1HB       GLN   6  -3.209  -2.330  -5.377
   47   2HB   GLN   6          2HB       GLN   6  -2.635  -3.900  -5.873
   48   1HG   GLN   6          2HG       GLN   6  -5.565  -3.075  -5.929
   49   2HG   GLN   6          1HG       GLN   6  -4.490  -2.995  -7.313
   50   1HE2  GLN   6          1HE2      GLN   6  -4.523  -4.789  -8.616
   51   2HE2  GLN   6          2HE2      GLN   6  -5.005  -6.347  -8.144
   52    H    TYR   7           H        TYR   7  -2.877  -4.611  -1.836
   53    HA   TYR   7           HA       TYR   7  -1.625  -7.177  -2.733
   54   1HB   TYR   7          1HB       TYR   7  -0.626  -5.048  -0.806
   55   2HB   TYR   7          2HB       TYR   7   0.036  -6.677  -0.825
   56    HD1  TYR   7           HD1      TYR   7   1.063  -7.547  -2.972
   57    HD2  TYR   7           HD2      TYR   7   0.114  -3.423  -2.438
   58    HE1  TYR   7           HE1      TYR   7   2.558  -6.964  -4.816
   59    HE2  TYR   7           HE2      TYR   7   1.611  -2.855  -4.289
   60    HH   TYR   7           HH       TYR   7   3.408  -5.337  -6.067
   61    H    CYS   8           H        CYS   8  -2.741  -5.321   0.093
   62    HA   CYS   8           HA       CYS   8  -3.939  -7.793   1.222
   63   1HB   CYS   8          1HB       CYS   8  -3.439  -6.740   3.413
   64   2HB   CYS   8          2HB       CYS   8  -1.985  -6.968   2.493
   65    H    GLU   9           H        GLU   9  -4.760  -5.160   2.941
   66    HA   GLU   9           HA       GLU   9  -6.802  -3.968   1.218
   67   1HB   GLU   9          1HB       GLU   9  -8.747  -4.759   2.640
   68   2HB   GLU   9          2HB       GLU   9  -7.973  -6.057   1.758
   69   1HG   GLU   9          2HG       GLU   9  -6.704  -6.724   3.770
   70   2HG   GLU   9          1HG       GLU   9  -7.382  -5.392   4.685
   71    H    LEU  10           H        LEU  10  -4.811  -2.726   2.366
   72    HA   LEU  10           HA       LEU  10  -5.849  -1.381   4.830
   73   1HB   LEU  10          1HB       LEU  10  -3.634  -2.406   5.046
   74   2HB   LEU  10          2HB       LEU  10  -3.053  -1.560   3.613
   75    HG   LEU  10           HG       LEU  10  -4.130   0.133   5.879
   76   1HD1  LEU  10          1HD1      LEU  10  -1.942   0.038   7.037
   77   2HD1  LEU  10          2HD1      LEU  10  -1.370  -1.182   5.911
   78   3HD1  LEU  10          3HD1      LEU  10  -2.681  -1.552   7.018
   79   1HD2  LEU  10          1HD2      LEU  10  -2.281   1.615   5.116
   80   2HD2  LEU  10          2HD2      LEU  10  -3.223   1.147   3.715
   81   3HD2  LEU  10          3HD2      LEU  10  -1.694   0.369   4.031
   82    H    ARG  11           H        ARG  11  -5.665   0.934   4.919
   83    HA   ARG  11           HA       ARG  11  -5.869   2.218   2.231
   84   1HB   ARG  11          1HB       ARG  11  -7.550   3.756   3.222
   85   2HB   ARG  11          2HB       ARG  11  -8.054   2.082   3.332
   86   1HG   ARG  11          2HG       ARG  11  -7.286   1.995   5.702
   87   2HG   ARG  11          1HG       ARG  11  -6.780   3.674   5.603
   88   1HD   ARG  11          2HD       ARG  11  -9.122   4.354   5.098
   89   2HD   ARG  11          1HD       ARG  11  -9.632   2.671   5.194
   90    HE   ARG  11           HE       ARG  11  -8.871   2.718   7.596
   91   1HH1  ARG  11          1HH2      ARG  11  -8.047   5.710   6.563
   92   2HH1  ARG  11          2HH2      ARG  11  -9.019   6.600   7.688
   93   1HH2  ARG  11          2HH1      ARG  11 -10.770   3.766   8.746
   94   2HH2  ARG  11          1HH1      ARG  11 -10.590   5.477   8.951
   95    H    SER  12           H        SER  12  -5.512   4.382   2.109
   96    HA   SER  12           HA       SER  12  -3.426   5.522   3.924
   97   1HB   SER  12          2HB       SER  12  -3.507   5.478   0.861
   98   2HB   SER  12          1HB       SER  12  -2.318   6.402   1.797
   99    HG   SER  12           HG       SER  12  -1.477   4.633   2.538
  100    H    ALA  13           H        ALA  13  -3.201   7.959   2.476
  101    HA   ALA  13           HA       ALA  13  -5.832   9.211   3.148
  102   1HB   ALA  13          1HB       ALA  13  -4.537  11.269   3.575
  103   2HB   ALA  13          2HB       ALA  13  -3.054  10.422   3.165
  104   3HB   ALA  13          3HB       ALA  13  -3.982   9.937   4.577
  105    H    ASP  14           H        ASP  14  -3.078   9.765   0.948
  106    HA   ASP  14           HA       ASP  14  -5.030  10.829  -1.052
  107   1HB   ASP  14          1HB       ASP  14  -3.299  12.389  -1.825
  108   2HB   ASP  14          2HB       ASP  14  -3.711  12.655  -0.148
  109    H    SER  15           H        SER  15  -1.917   9.265  -0.789
  110    HA   SER  15           HA       SER  15  -1.977   7.205  -2.505
  111   1HB   SER  15          2HB       SER  15  -0.982   8.146  -4.716
  112   2HB   SER  15          1HB       SER  15  -2.662   8.611  -4.499
  113    HG   SER  15           HG       SER  15  -0.454  10.139  -4.546
  114    H    SER  16           H        SER  16  -0.035  10.220  -2.123
  115    HA   SER  16           HA       SER  16   2.538   9.162  -2.389
  116   1HB   SER  16          2HB       SER  16   3.291  10.979  -0.807
  117   2HB   SER  16          1HB       SER  16   2.082  11.606  -1.928
  118    HG   SER  16           HG       SER  16   0.934  12.017  -0.239
  119    H    ASN  17           H        ASN  17   0.440   9.070   0.429
  120    HA   ASN  17           HA       ASN  17   2.273   7.681   2.167
  121   1HB   ASN  17          1HB       ASN  17   0.367   8.910   3.105
  122   2HB   ASN  17          2HB       ASN  17  -0.775   7.928   2.199
  123   1HD2  ASN  17          1HD2      ASN  17   0.931   8.151   5.174
  124   2HD2  ASN  17          2HD2      ASN  17   0.563   6.601   5.759
  125    H    LEU  18           H        LEU  18  -0.437   6.566   0.116
  126    HA   LEU  18           HA       LEU  18  -0.361   3.831   0.658
  127   1HB   LEU  18          1HB       LEU  18  -1.979   5.032  -0.920
  128   2HB   LEU  18          2HB       LEU  18  -0.680   5.192  -2.095
  129    HG   LEU  18           HG       LEU  18  -2.381   3.425  -2.589
  130   1HD1  LEU  18          1HD1      LEU  18   0.502   2.447  -2.425
  131   2HD1  LEU  18          2HD1      LEU  18  -0.186   3.419  -3.709
  132   3HD1  LEU  18          3HD1      LEU  18  -0.774   1.798  -3.426
  133   1HD2  LEU  18          1HD2      LEU  18  -2.690   2.486  -0.341
  134   2HD2  LEU  18          2HD2      LEU  18  -1.020   1.940  -0.301
  135   3HD2  LEU  18          3HD2      LEU  18  -2.142   1.242  -1.453
  136    H    LYS  19           H        LYS  19   1.678   5.612  -1.536
  137    HA   LYS  19           HA       LYS  19   3.252   3.530  -2.586
  138   1HB   LYS  19          1HB       LYS  19   4.372   6.238  -1.695
  139   2HB   LYS  19          2HB       LYS  19   5.084   5.164  -2.869
  140   1HG   LYS  19          2HG       LYS  19   2.445   6.633  -3.187
  141   2HG   LYS  19          1HG       LYS  19   3.955   7.047  -3.958
  142   1HD   LYS  19          2HD       LYS  19   3.934   4.791  -5.119
  143   2HD   LYS  19          1HD       LYS  19   2.358   4.488  -4.407
  144   1HE   LYS  19          2HE       LYS  19   2.045   5.371  -6.672
  145   2HE   LYS  19          1HE       LYS  19   1.489   6.570  -5.514
  146   1HZ   LYS  19          1HZ       LYS  19   3.470   6.828  -7.465
  147   2HZ   LYS  19          2HZ       LYS  19   4.215   6.983  -5.949
  148   3HZ   LYS  19          3HZ       LYS  19   2.912   7.993  -6.361
  149    H    THR  20           H        THR  20   4.066   5.499   0.270
  150    HA   THR  20           HA       THR  20   6.258   4.006   1.192
  151    HB   THR  20           HB       THR  20   5.851   5.008   3.464
  152    HG1  THR  20           HG1      THR  20   3.865   5.198   4.041
  153   1HG2  THR  20          1HG2      THR  20   4.811   6.929   1.305
  154   2HG2  THR  20          2HG2      THR  20   6.514   6.634   1.614
  155   3HG2  THR  20          3HG2      THR  20   5.516   7.386   2.845
  156    H    HIS  21           H        HIS  21   2.810   3.471   1.996
  157    HA   HIS  21           HA       HIS  21   3.073   1.365   3.824
  158   1HB   HIS  21          1HB       HIS  21   0.826   2.132   3.333
  159   2HB   HIS  21          2HB       HIS  21   0.983   1.789   1.625
  160    HD1  HIS  21           HD1      HIS  21   0.946  -0.204   4.844
  161    HD2  HIS  21           HD2      HIS  21   0.103  -0.681   0.876
  162    HE1  HIS  21           HE1      HIS  21  -0.006  -2.473   4.601
  163    H    ILE  22           H        ILE  22   2.505   0.837   0.359
  164    HA   ILE  22           HA       ILE  22   3.129  -1.859   0.182
  165    HB   ILE  22           HB       ILE  22   3.695   0.306  -1.907
  166   1HG1  ILE  22          2HG1      ILE  22   1.224  -1.468  -1.505
  167   2HG1  ILE  22          1HG1      ILE  22   1.304   0.222  -1.061
  168   1HG2  ILE  22          1HG2      ILE  22   4.835  -1.887  -2.396
  169   2HG2  ILE  22          2HG2      ILE  22   3.547  -1.599  -3.543
  170   3HG2  ILE  22          3HG2      ILE  22   3.301  -2.717  -2.212
  171   1HD1  ILE  22          1HD       ILE  22   0.226  -0.060  -3.260
  172   2HD1  ILE  22          2HD       ILE  22   1.658  -0.833  -3.895
  173   3HD1  ILE  22          3HD       ILE  22   1.723   0.849  -3.417
  174    H    LYS  23           H        LYS  23   5.358   0.796  -0.470
  175    HA   LYS  23           HA       LYS  23   7.707  -0.290  -1.113
  176   1HB   LYS  23          1HB       LYS  23   7.379   2.105  -0.667
  177   2HB   LYS  23          2HB       LYS  23   7.337   1.809   1.056
  178   1HG   LYS  23          2HG       LYS  23   9.716   0.829   0.837
  179   2HG   LYS  23          1HG       LYS  23   9.711   1.468  -0.797
  180   1HD   LYS  23          2HD       LYS  23   9.322   3.741   0.036
  181   2HD   LYS  23          1HD       LYS  23   9.161   3.157   1.680
  182   1HE   LYS  23          2HE       LYS  23  11.682   2.951  -0.016
  183   2HE   LYS  23          1HE       LYS  23  11.411   4.093   1.291
  184   1HZ   LYS  23          1HZ       LYS  23  12.152   2.615   2.693
  185   2HZ   LYS  23          2HZ       LYS  23  12.374   1.486   1.450
  186   3HZ   LYS  23          3HZ       LYS  23  10.914   1.529   2.308
  187    H    THR  24           H        THR  24   6.854  -0.007   2.332
  188    HA   THR  24           HA       THR  24   8.811  -2.222   2.870
  189    HB   THR  24           HB       THR  24   8.008   0.089   4.729
  190    HG1  THR  24           HG1      THR  24   9.673  -0.218   2.595
  191   1HG2  THR  24          1HG2      THR  24   9.037  -1.983   5.908
  192   2HG2  THR  24          2HG2      THR  24  10.079  -0.573   5.927
  193   3HG2  THR  24          3HG2      THR  24  10.377  -1.871   4.780
  194    H    LYS  25           H        LYS  25   6.352  -3.014   2.124
  195    HA   LYS  25           HA       LYS  25   5.389  -4.421   4.531
  196   1HB   LYS  25          1HB       LYS  25   3.627  -2.732   2.692
  197   2HB   LYS  25          2HB       LYS  25   2.961  -4.041   3.655
  198   1HG   LYS  25          2HG       LYS  25   4.527  -1.749   4.917
  199   2HG   LYS  25          1HG       LYS  25   2.795  -1.746   4.713
  200   1HD   LYS  25          2HD       LYS  25   2.496  -3.709   6.088
  201   2HD   LYS  25          1HD       LYS  25   4.220  -4.010   6.189
  202   1HE   LYS  25          2HE       LYS  25   2.858  -1.523   7.299
  203   2HE   LYS  25          1HE       LYS  25   3.300  -2.932   8.249
  204   1HZ   LYS  25          1HZ       LYS  25   5.313  -2.110   8.458
  205   2HZ   LYS  25          2HZ       LYS  25   4.894  -0.767   7.509
  206   3HZ   LYS  25          3HZ       LYS  25   5.548  -2.147   6.776
  207    H    HIS  26           H        HIS  26   5.340  -3.995   1.089
  208    HA   HIS  26           HA       HIS  26   4.916  -6.919   0.706
  209   1HB   HIS  26          1HB       HIS  26   4.078  -4.634  -1.115
  210   2HB   HIS  26          2HB       HIS  26   3.735  -6.337  -1.373
  211    HD1  HIS  26           HD1      HIS  26   2.531  -7.251   1.127
  212    HD2  HIS  26           HD2      HIS  26   1.796  -3.429  -0.144
  213    HE1  HIS  26           HE1      HIS  26   0.449  -6.533   2.240
  214    H    SER  27           H        SER  27   6.509  -4.027  -0.487
  215    HA   SER  27           HA       SER  27   8.434  -5.708  -2.041
  216   1HB   SER  27          2HB       SER  27   8.777  -3.597  -3.406
  217   2HB   SER  27          1HB       SER  27   7.097  -4.143  -3.421
  218    HG   SER  27           HG       SER  27   8.116  -1.879  -2.431
  219    H    LYS  28           H        LYS  28   9.251  -5.934   0.195
  220    HA   LYS  28           HA       LYS  28  11.660  -5.730   0.917
  221   1HB   LYS  28          1HB       LYS  28  10.833  -2.800   1.075
  222   2HB   LYS  28          2HB       LYS  28  12.185  -3.439   1.993
  223   1HG   LYS  28          2HG       LYS  28  13.414  -4.095   0.066
  224   2HG   LYS  28          1HG       LYS  28  12.132  -3.703  -1.040
  225   1HD   LYS  28          2HD       LYS  28  13.532  -1.693   0.781
  226   2HD   LYS  28          1HD       LYS  28  13.942  -1.958  -0.903
  227   1HE   LYS  28          2HE       LYS  28  11.705  -1.223  -1.616
  228   2HE   LYS  28          1HE       LYS  28  11.193  -1.027   0.056
  229   1HZ   LYS  28          1HZ       LYS  28  13.575   0.368  -0.284
  230   2HZ   LYS  28          2HZ       LYS  28  12.021   0.971   0.046
  231   3HZ   LYS  28          3HZ       LYS  28  12.538   0.791  -1.560
  232    H    GLU  29           H        GLU  29  10.110  -7.070   2.003
  233    HA   GLU  29           HA       GLU  29   9.295  -6.037   4.691
  234   1HB   GLU  29          1HB       GLU  29   7.369  -6.695   3.268
  235   2HB   GLU  29          2HB       GLU  29   8.084  -8.275   2.998
  236   1HG   GLU  29          2HG       GLU  29   7.937  -8.765   5.444
  237   2HG   GLU  29          1HG       GLU  29   7.268  -7.170   5.734
  238    H    LYS  30           H        LYS  30  10.574  -8.591   2.790
  239    HA   LYS  30           HA       LYS  30  11.351 -10.772   3.651
  240   1HB   LYS  30          1HB       LYS  30  13.487  -8.610   3.495
  241   2HB   LYS  30          2HB       LYS  30  13.883 -10.319   3.632
  242   1HG   LYS  30          2HG       LYS  30  13.980  -9.850   1.313
  243   2HG   LYS  30          1HG       LYS  30  12.475 -10.701   1.542
  244   1HD   LYS  30          2HD       LYS  30  11.983  -7.827   1.825
  245   2HD   LYS  30          1HD       LYS  30  12.919  -8.108   0.383
  246   1HE   LYS  30          2HE       LYS  30  11.292  -9.765  -0.447
  247   2HE   LYS  30          1HE       LYS  30  10.338  -9.585   1.020
  248   1HZ   LYS  30          1HZ       LYS  30  10.260  -8.045  -1.311
  249   2HZ   LYS  30          2HZ       LYS  30  10.743  -7.043  -0.032
  250   3HZ   LYS  30          3HZ       LYS  30   9.292  -7.916   0.074
  Start of MODEL   15
    1   1H    LYS   1          1H        LYS   1 -11.431  12.415  -0.723
    2   2H    LYS   1          2H        LYS   1 -11.571  10.848  -0.093
    3   3H    LYS   1          3H        LYS   1 -12.456  11.286  -1.472
    4    HA   LYS   1           HA       LYS   1 -10.848  10.601  -2.764
    5   1HB   LYS   1          2HB       LYS   1  -8.648  11.823  -2.726
    6   2HB   LYS   1          1HB       LYS   1 -10.024  12.900  -2.702
    7   1HG   LYS   1          2HG       LYS   1  -9.692  13.142  -0.171
    8   2HG   LYS   1          1HG       LYS   1  -8.234  12.190  -0.319
    9   1HD   LYS   1          2HD       LYS   1  -7.516  14.458  -0.361
   10   2HD   LYS   1          1HD       LYS   1  -7.319  13.817  -1.977
   11   1HE   LYS   1          2HE       LYS   1  -8.302  16.088  -2.028
   12   2HE   LYS   1          1HE       LYS   1  -9.432  14.930  -2.696
   13   1HZ   LYS   1          1HZ       LYS   1 -10.890  15.505  -1.173
   14   2HZ   LYS   1          2HZ       LYS   1  -9.806  16.668  -0.571
   15   3HZ   LYS   1          3HZ       LYS   1  -9.818  15.100   0.081
   16    H    THR   2           H        THR   2 -10.813   8.458  -2.094
   17    HA   THR   2           HA       THR   2  -8.786   7.719  -0.030
   18    HB   THR   2           HB       THR   2 -10.056   5.498   0.091
   19    HG1  THR   2           HG1      THR   2 -11.033   6.573  -2.159
   20   1HG2  THR   2          1HG2      THR   2 -11.924   7.922   0.311
   21   2HG2  THR   2          2HG2      THR   2 -10.806   7.459   1.587
   22   3HG2  THR   2          3HG2      THR   2 -12.110   6.377   1.126
   23    H    TYR   3           H        TYR   3  -7.584   5.867  -0.302
   24    HA   TYR   3           HA       TYR   3  -6.932   5.077  -3.116
   25   1HB   TYR   3          1HB       TYR   3  -4.931   5.518  -0.853
   26   2HB   TYR   3          2HB       TYR   3  -4.533   5.110  -2.511
   27    HD1  TYR   3           HD1      TYR   3  -6.101   7.752  -0.386
   28    HD2  TYR   3           HD2      TYR   3  -4.351   6.853  -4.164
   29    HE1  TYR   3           HE1      TYR   3  -6.096  10.130  -0.953
   30    HE2  TYR   3           HE2      TYR   3  -4.343   9.237  -4.716
   31    HH   TYR   3           HH       TYR   3  -4.955  11.276  -4.097
   32    H    GLN   4           H        GLN   4  -5.948   2.970  -3.275
   33    HA   GLN   4           HA       GLN   4  -6.621   1.112  -1.025
   34   1HB   GLN   4          1HB       GLN   4  -8.304   0.943  -2.834
   35   2HB   GLN   4          2HB       GLN   4  -7.026   0.747  -4.028
   36   1HG   GLN   4          2HG       GLN   4  -8.054  -1.406  -3.598
   37   2HG   GLN   4          1HG       GLN   4  -6.408  -1.421  -3.026
   38   1HE2  GLN   4          1HE2      GLN   4  -9.594  -2.193  -2.162
   39   2HE2  GLN   4          2HE2      GLN   4  -9.378  -2.318  -0.483
   40    H    CYS   5           H        CYS   5  -5.417  -0.776  -0.904
   41    HA   CYS   5           HA       CYS   5  -2.626  -0.597  -1.911
   42   1HB   CYS   5          1HB       CYS   5  -2.700  -0.550   0.461
   43   2HB   CYS   5          2HB       CYS   5  -3.819  -1.907   0.521
   44    H    GLN   6           H        GLN   6  -5.417  -2.554  -2.126
   45    HA   GLN   6           HA       GLN   6  -5.861  -4.683  -2.923
   46   1HB   GLN   6          1HB       GLN   6  -4.981  -5.048  -5.215
   47   2HB   GLN   6          2HB       GLN   6  -5.589  -3.434  -4.965
   48   1HG   GLN   6          2HG       GLN   6  -3.390  -2.475  -4.889
   49   2HG   GLN   6          1HG       GLN   6  -2.613  -4.045  -4.718
   50   1HE2  GLN   6          2HE2      GLN   6  -1.442  -4.332  -6.666
   51   2HE2  GLN   6          1HE2      GLN   6  -2.149  -4.153  -8.189
   52    H    TYR   7           H        TYR   7  -3.696  -4.797  -0.947
   53    HA   TYR   7           HA       TYR   7  -2.533  -7.447  -1.689
   54   1HB   TYR   7          1HB       TYR   7  -1.003  -5.148  -0.328
   55   2HB   TYR   7          2HB       TYR   7  -0.371  -6.771  -0.544
   56    HD1  TYR   7           HD1      TYR   7  -1.001  -7.540  -3.238
   57    HD2  TYR   7           HD2      TYR   7   0.062  -3.667  -1.804
   58    HE1  TYR   7           HE1      TYR   7  -0.218  -6.923  -5.464
   59    HE2  TYR   7           HE2      TYR   7   0.845  -3.063  -4.038
   60    HH   TYR   7           HH       TYR   7   0.762  -5.389  -6.718
   61    H    CYS   8           H        CYS   8  -2.724  -5.098   0.904
   62    HA   CYS   8           HA       CYS   8  -3.791  -7.200   2.786
   63   1HB   CYS   8          1HB       CYS   8  -2.750  -6.058   4.539
   64   2HB   CYS   8          2HB       CYS   8  -1.509  -6.180   3.306
   65    H    GLU   9           H        GLU   9  -4.997  -5.562   0.845
   66    HA   GLU   9           HA       GLU   9  -6.510  -3.756   0.484
   67   1HB   GLU   9          1HB       GLU   9  -7.943  -5.570   2.496
   68   2HB   GLU   9          2HB       GLU   9  -8.707  -4.606   1.244
   69   1HG   GLU   9          2HG       GLU   9  -6.860  -7.004   0.845
   70   2HG   GLU   9          1HG       GLU   9  -8.564  -6.913   0.454
   71    H    LEU  10           H        LEU  10  -4.848  -2.563   1.940
   72    HA   LEU  10           HA       LEU  10  -6.103  -1.430   4.382
   73   1HB   LEU  10          1HB       LEU  10  -3.609  -1.895   4.290
   74   2HB   LEU  10          2HB       LEU  10  -3.471  -0.727   2.979
   75    HG   LEU  10           HG       LEU  10  -4.750   0.816   4.870
   76   1HD1  LEU  10          1HD1      LEU  10  -2.989  -1.078   6.454
   77   2HD1  LEU  10          2HD1      LEU  10  -4.743  -0.996   6.557
   78   3HD1  LEU  10          3HD1      LEU  10  -3.768   0.370   7.075
   79   1HD2  LEU  10          1HD2      LEU  10  -2.707   1.425   3.649
   80   2HD2  LEU  10          2HD2      LEU  10  -1.765   0.369   4.694
   81   3HD2  LEU  10          3HD2      LEU  10  -2.558   1.789   5.359
   82    H    ARG  11           H        ARG  11  -6.790   0.698   4.412
   83    HA   ARG  11           HA       ARG  11  -7.158   2.001   1.742
   84   1HB   ARG  11          1HB       ARG  11  -9.204   2.993   2.713
   85   2HB   ARG  11          2HB       ARG  11  -9.262   1.237   2.729
   86   1HG   ARG  11          2HG       ARG  11  -8.636   1.205   5.123
   87   2HG   ARG  11          1HG       ARG  11  -8.486   2.953   5.153
   88   1HD   ARG  11          2HD       ARG  11 -10.669   2.337   6.073
   89   2HD   ARG  11          1HD       ARG  11 -10.926   3.123   4.520
   90    HE   ARG  11           HE       ARG  11 -10.954   0.142   4.844
   91   1HH1  ARG  11          2HH1      ARG  11 -10.991   1.386   2.089
   92   2HH1  ARG  11          1HH1      ARG  11 -12.685   1.406   1.738
   93   1HH2  ARG  11          2HH2      ARG  11 -13.600   0.886   5.074
   94   2HH2  ARG  11          1HH2      ARG  11 -14.196   1.115   3.463
   95    H    SER  12           H        SER  12  -6.898   4.168   1.601
   96    HA   SER  12           HA       SER  12  -5.753   5.627   3.931
   97   1HB   SER  12          2HB       SER  12  -3.836   4.706   2.688
   98   2HB   SER  12          1HB       SER  12  -4.442   5.384   1.170
   99    HG   SER  12           HG       SER  12  -3.549   7.153   1.742
  100    H    ALA  13           H        ALA  13  -5.418   7.931   3.392
  101    HA   ALA  13           HA       ALA  13  -7.649   9.041   1.734
  102   1HB   ALA  13          1HB       ALA  13  -7.790  10.852   3.436
  103   2HB   ALA  13          2HB       ALA  13  -6.497  10.098   4.353
  104   3HB   ALA  13          3HB       ALA  13  -8.042   9.283   4.185
  105    H    ASP  14           H        ASP  14  -4.382   8.711   2.043
  106    HA   ASP  14           HA       ASP  14  -3.766  11.155   0.451
  107   1HB   ASP  14          1HB       ASP  14  -2.863  11.470   2.718
  108   2HB   ASP  14          2HB       ASP  14  -2.174   9.865   2.731
  109    H    SER  15           H        SER  15  -1.664  10.798  -0.738
  110    HA   SER  15           HA       SER  15  -1.670   8.094  -1.991
  111   1HB   SER  15          2HB       SER  15  -0.589   9.328  -3.936
  112   2HB   SER  15          1HB       SER  15  -2.196   9.943  -3.531
  113    HG   SER  15           HG       SER  15  -0.469  11.158  -1.939
  114    H    SER  16           H        SER  16   0.589  10.609  -0.907
  115    HA   SER  16           HA       SER  16   3.005   9.353  -1.472
  116   1HB   SER  16          2HB       SER  16   2.788  11.696  -0.549
  117   2HB   SER  16          1HB       SER  16   2.447  11.012   1.048
  118    HG   SER  16           HG       SER  16   4.798  11.307  -0.173
  119    H    ASN  17           H        ASN  17   1.236   9.073   1.565
  120    HA   ASN  17           HA       ASN  17   2.969   7.206   2.817
  121   1HB   ASN  17          1HB       ASN  17   1.174   6.854   4.397
  122   2HB   ASN  17          2HB       ASN  17   1.127   8.550   3.930
  123   1HD2  ASN  17          1HD2      ASN  17  -0.948   6.176   4.627
  124   2HD2  ASN  17          2HD2      ASN  17  -2.181   6.541   3.513
  125    H    LEU  18           H        LEU  18   0.400   6.724   0.486
  126    HA   LEU  18           HA       LEU  18   0.196   3.864   0.885
  127   1HB   LEU  18          1HB       LEU  18  -1.643   5.274  -0.113
  128   2HB   LEU  18          2HB       LEU  18  -0.633   5.612  -1.511
  129    HG   LEU  18           HG       LEU  18  -2.456   3.892  -1.847
  130   1HD1  LEU  18          1HD1      LEU  18  -1.115   2.394  -3.246
  131   2HD1  LEU  18          2HD1      LEU  18   0.367   2.923  -2.496
  132   3HD1  LEU  18          3HD1      LEU  18  -0.585   4.052  -3.442
  133   1HD2  LEU  18          1HD2      LEU  18  -0.631   2.107  -0.192
  134   2HD2  LEU  18          2HD2      LEU  18  -2.024   1.578  -1.110
  135   3HD2  LEU  18          3HD2      LEU  18  -2.241   2.640   0.268
  136    H    LYS  19           H        LYS  19   1.754   5.797  -1.699
  137    HA   LYS  19           HA       LYS  19   2.890   3.601  -3.073
  138   1HB   LYS  19          1HB       LYS  19   4.647   5.110  -3.917
  139   2HB   LYS  19          2HB       LYS  19   3.089   5.879  -3.984
  140   1HG   LYS  19          2HG       LYS  19   3.587   7.416  -2.291
  141   2HG   LYS  19          1HG       LYS  19   4.940   6.490  -1.663
  142   1HD   LYS  19          2HD       LYS  19   6.213   6.884  -3.749
  143   2HD   LYS  19          1HD       LYS  19   4.883   7.821  -4.399
  144   1HE   LYS  19          2HE       LYS  19   6.281   8.557  -1.791
  145   2HE   LYS  19          1HE       LYS  19   6.777   9.196  -3.351
  146   1HZ   LYS  19          1HZ       LYS  19   4.010   9.491  -3.110
  147   2HZ   LYS  19          2HZ       LYS  19   5.202  10.695  -3.198
  148   3HZ   LYS  19          3HZ       LYS  19   4.729  10.081  -1.688
  149    H    THR  20           H        THR  20   4.292   5.398  -0.315
  150    HA   THR  20           HA       THR  20   6.649   3.811  -0.077
  151    HB   THR  20           HB       THR  20   6.704   4.771   2.313
  152    HG1  THR  20           HG1      THR  20   4.342   6.069   1.507
  153   1HG2  THR  20          1HG2      THR  20   7.432   6.242   0.330
  154   2HG2  THR  20          2HG2      THR  20   6.716   7.164   1.647
  155   3HG2  THR  20          3HG2      THR  20   5.780   6.816   0.210
  156    H    HIS  21           H        HIS  21   3.520   3.568   1.695
  157    HA   HIS  21           HA       HIS  21   3.896   1.494   3.386
  158   1HB   HIS  21          1HB       HIS  21   1.721   2.535   3.171
  159   2HB   HIS  21          2HB       HIS  21   1.545   2.036   1.502
  160    HD1  HIS  21           HD1      HIS  21   1.345   0.575   4.931
  161    HD2  HIS  21           HD2      HIS  21   0.648  -0.521   1.060
  162    HE1  HIS  21           HE1      HIS  21   0.142  -1.586   5.022
  163    H    ILE  22           H        ILE  22   2.928   0.984   0.020
  164    HA   ILE  22           HA       ILE  22   3.228  -1.817  -0.099
  165    HB   ILE  22           HB       ILE  22   3.709   0.224  -2.328
  166   1HG1  ILE  22          2HG1      ILE  22   1.144  -1.286  -1.611
  167   2HG1  ILE  22          1HG1      ILE  22   1.441   0.371  -1.126
  168   1HG2  ILE  22          1HG2      ILE  22   4.558  -2.073  -2.874
  169   2HG2  ILE  22          2HG2      ILE  22   3.160  -1.700  -3.854
  170   3HG2  ILE  22          3HG2      ILE  22   2.994  -2.754  -2.458
  171   1HD1  ILE  22          1HD       ILE  22   0.096   0.321  -3.188
  172   2HD1  ILE  22          2HD       ILE  22   1.330  -0.617  -4.002
  173   3HD1  ILE  22          3HD       ILE  22   1.666   1.034  -3.512
  174    H    LYS  23           H        LYS  23   5.576   0.597  -1.255
  175    HA   LYS  23           HA       LYS  23   7.733  -0.895  -1.936
  176   1HB   LYS  23          1HB       LYS  23   7.728   1.696  -0.396
  177   2HB   LYS  23          2HB       LYS  23   9.179   0.987  -1.060
  178   1HG   LYS  23          2HG       LYS  23   8.233   1.041  -3.331
  179   2HG   LYS  23          1HG       LYS  23   6.734   1.723  -2.730
  180   1HD   LYS  23          2HD       LYS  23   8.026   3.705  -1.860
  181   2HD   LYS  23          1HD       LYS  23   9.502   2.991  -2.483
  182   1HE   LYS  23          2HE       LYS  23   8.648   4.684  -4.060
  183   2HE   LYS  23          1HE       LYS  23   8.556   3.089  -4.800
  184   1HZ   LYS  23          1HZ       LYS  23   6.183   3.562  -3.386
  185   2HZ   LYS  23          2HZ       LYS  23   6.402   3.377  -5.061
  186   3HZ   LYS  23          3HZ       LYS  23   6.508   4.917  -4.356
  187    H    THR  24           H        THR  24   6.983  -0.067   1.392
  188    HA   THR  24           HA       THR  24   9.234  -1.731   2.339
  189    HB   THR  24           HB       THR  24   9.064   0.673   3.104
  190    HG1  THR  24           HG1      THR  24   8.738  -0.571   5.455
  191   1HG2  THR  24          1HG2      THR  24   6.492   0.662   3.418
  192   2HG2  THR  24          2HG2      THR  24   7.374   1.215   4.833
  193   3HG2  THR  24          3HG2      THR  24   6.735  -0.416   4.785
  194    H    LYS  25           H        LYS  25   5.805  -2.025   2.467
  195    HA   LYS  25           HA       LYS  25   6.101  -4.114   4.588
  196   1HB   LYS  25          1HB       LYS  25   3.529  -2.865   3.557
  197   2HB   LYS  25          2HB       LYS  25   3.708  -3.951   4.933
  198   1HG   LYS  25          2HG       LYS  25   5.325  -2.168   5.907
  199   2HG   LYS  25          1HG       LYS  25   4.699  -1.100   4.663
  200   1HD   LYS  25          2HD       LYS  25   2.355  -1.654   5.524
  201   2HD   LYS  25          1HD       LYS  25   3.122  -2.457   6.872
  202   1HE   LYS  25          2HE       LYS  25   2.595  -0.162   7.553
  203   2HE   LYS  25          1HE       LYS  25   4.341  -0.315   7.410
  204   1HZ   LYS  25          1HZ       LYS  25   3.306   0.411   4.914
  205   2HZ   LYS  25          2HZ       LYS  25   4.337   1.295   5.937
  206   3HZ   LYS  25          3HZ       LYS  25   2.652   1.455   6.081
  207    H    HIS  26           H        HIS  26   5.600  -3.826   1.202
  208    HA   HIS  26           HA       HIS  26   4.726  -6.685   1.118
  209   1HB   HIS  26          1HB       HIS  26   3.975  -4.443  -0.798
  210   2HB   HIS  26          2HB       HIS  26   3.531  -6.130  -0.986
  211    HD1  HIS  26           HD1      HIS  26   2.575  -6.900   1.714
  212    HD2  HIS  26           HD2      HIS  26   1.723  -3.182   0.250
  213    HE1  HIS  26           HE1      HIS  26   0.625  -6.111   2.966
  214    H    SER  27           H        SER  27   6.543  -4.200  -0.703
  215    HA   SER  27           HA       SER  27   7.887  -6.434  -2.188
  216   1HB   SER  27          2HB       SER  27   8.889  -4.543  -3.546
  217   2HB   SER  27          1HB       SER  27   7.123  -4.446  -3.511
  218    HG   SER  27           HG       SER  27   7.303  -2.664  -2.472
  219    H    LYS  28           H        LYS  28   8.130  -5.966   0.585
  220    HA   LYS  28           HA       LYS  28  11.002  -6.160   0.959
  221   1HB   LYS  28          1HB       LYS  28  10.588  -3.711   1.115
  222   2HB   LYS  28          2HB       LYS  28   9.276  -4.002   2.251
  223   1HG   LYS  28          2HG       LYS  28  11.354  -3.187   3.347
  224   2HG   LYS  28          1HG       LYS  28  10.835  -4.724   3.984
  225   1HD   LYS  28          2HD       LYS  28  12.509  -5.866   2.469
  226   2HD   LYS  28          1HD       LYS  28  13.049  -4.285   1.928
  227   1HE   LYS  28          2HE       LYS  28  13.698  -3.722   4.272
  228   2HE   LYS  28          1HE       LYS  28  13.108  -5.287   4.814
  229   1HZ   LYS  28          1HZ       LYS  28  15.608  -4.653   3.787
  230   2HZ   LYS  28          2HZ       LYS  28  14.860  -5.699   2.676
  231   3HZ   LYS  28          3HZ       LYS  28  15.028  -6.165   4.299
  232    H    GLU  29           H        GLU  29   9.561  -8.126   0.991
  233    HA   GLU  29           HA       GLU  29   9.603  -9.897   2.822
  234   1HB   GLU  29          1HB       GLU  29   9.041  -8.422   4.731
  235   2HB   GLU  29          2HB       GLU  29   7.500  -7.995   4.004
  236   1HG   GLU  29          2HG       GLU  29   6.931 -10.543   4.183
  237   2HG   GLU  29          1HG       GLU  29   8.380 -10.674   5.161
  238    H    LYS  30           H        LYS  30   6.643  -8.159   2.148
  239    HA   LYS  30           HA       LYS  30   5.051  -8.681   0.316
  240   1HB   LYS  30          1HB       LYS  30   6.191 -10.934  -0.267
  241   2HB   LYS  30          2HB       LYS  30   5.366 -11.597   1.143
  242   1HG   LYS  30          2HG       LYS  30   3.324 -10.208  -0.263
  243   2HG   LYS  30          1HG       LYS  30   4.312 -10.862  -1.541
  244   1HD   LYS  30          2HD       LYS  30   3.267 -12.575   0.732
  245   2HD   LYS  30          1HD       LYS  30   2.353 -12.305  -0.732
  246   1HE   LYS  30          2HE       LYS  30   3.510 -14.419  -0.950
  247   2HE   LYS  30          1HE       LYS  30   4.279 -13.294  -2.058
  248   1HZ   LYS  30          1HZ       LYS  30   6.186 -13.670  -1.072
  249   2HZ   LYS  30          2HZ       LYS  30   5.434 -14.776  -0.025
  250   3HZ   LYS  30          3HZ       LYS  30   5.578 -13.151   0.425
  Start of MODEL   16
    1   1H    LYS   1          1H        LYS   1 -12.302  12.055  -0.794
    2   2H    LYS   1          2H        LYS   1 -11.292  11.425   0.419
    3   3H    LYS   1          3H        LYS   1 -12.976  11.294   0.566
    4    HA   LYS   1           HA       LYS   1 -12.939   9.344  -0.430
    5   1HB   LYS   1          2HB       LYS   1 -12.904  11.115  -2.487
    6   2HB   LYS   1          1HB       LYS   1 -11.320  10.445  -2.765
    7   1HG   LYS   1          2HG       LYS   1 -13.889   8.805  -2.680
    8   2HG   LYS   1          1HG       LYS   1 -13.137   9.391  -4.148
    9   1HD   LYS   1          2HD       LYS   1 -11.049   8.080  -3.488
   10   2HD   LYS   1          1HD       LYS   1 -12.014   7.346  -2.219
   11   1HE   LYS   1          2HE       LYS   1 -13.635   6.489  -3.865
   12   2HE   LYS   1          1HE       LYS   1 -12.686   7.198  -5.171
   13   1HZ   LYS   1          1HZ       LYS   1 -11.408   5.430  -5.168
   14   2HZ   LYS   1          2HZ       LYS   1 -12.316   4.745  -3.904
   15   3HZ   LYS   1          3HZ       LYS   1 -10.977   5.735  -3.552
   16    H    THR   2           H        THR   2 -11.591   7.539  -0.511
   17    HA   THR   2           HA       THR   2  -8.731   8.002   0.228
   18    HB   THR   2           HB       THR   2 -10.087   7.076   2.072
   19    HG1  THR   2           HG1      THR   2  -8.699   4.837   1.268
   20   1HG2  THR   2          1HG2      THR   2 -11.790   5.827   0.597
   21   2HG2  THR   2          2HG2      THR   2 -11.110   4.808   1.848
   22   3HG2  THR   2          3HG2      THR   2 -10.527   4.677   0.194
   23    H    TYR   3           H        TYR   3  -7.520   5.964   0.037
   24    HA   TYR   3           HA       TYR   3  -7.623   4.949  -2.779
   25   1HB   TYR   3          1HB       TYR   3  -5.249   5.128  -0.846
   26   2HB   TYR   3          2HB       TYR   3  -5.181   4.590  -2.520
   27    HD1  TYR   3           HD1      TYR   3  -6.418   7.613  -0.595
   28    HD2  TYR   3           HD2      TYR   3  -4.459   6.136  -4.077
   29    HE1  TYR   3           HE1      TYR   3  -6.053   9.901  -1.364
   30    HE2  TYR   3           HE2      TYR   3  -4.096   8.433  -4.833
   31    HH   TYR   3           HH       TYR   3  -5.030  11.202  -2.834
   32    H    GLN   4           H        GLN   4  -6.338   2.750  -2.782
   33    HA   GLN   4           HA       GLN   4  -7.083   0.994  -0.505
   34   1HB   GLN   4          1HB       GLN   4  -8.929   1.165  -2.327
   35   2HB   GLN   4          2HB       GLN   4  -7.805   0.355  -3.415
   36   1HG   GLN   4          2HG       GLN   4  -8.577  -0.853  -0.743
   37   2HG   GLN   4          1HG       GLN   4  -9.605  -1.058  -2.145
   38   1HE2  GLN   4          2HE2      GLN   4  -7.361  -2.681  -0.437
   39   2HE2  GLN   4          1HE2      GLN   4  -6.659  -3.612  -1.669
   40    H    CYS   5           H        CYS   5  -5.918  -1.202  -0.873
   41    HA   CYS   5           HA       CYS   5  -3.240  -0.649  -2.114
   42   1HB   CYS   5          1HB       CYS   5  -3.158  -1.187   0.282
   43   2HB   CYS   5          2HB       CYS   5  -4.034  -2.686  -0.017
   44    H    GLN   6           H        GLN   6  -5.090  -3.549  -1.432
   45    HA   GLN   6           HA       GLN   6  -6.127  -5.030  -3.020
   46   1HB   GLN   6          1HB       GLN   6  -5.341  -3.632  -5.027
   47   2HB   GLN   6          2HB       GLN   6  -3.783  -4.433  -4.918
   48   1HG   GLN   6          2HG       GLN   6  -5.088  -5.545  -6.612
   49   2HG   GLN   6          1HG       GLN   6  -4.949  -6.652  -5.262
   50   1HE2  GLN   6          2HE2      GLN   6  -7.236  -4.181  -4.457
   51   2HE2  GLN   6          1HE2      GLN   6  -8.619  -5.055  -4.888
   52    H    TYR   7           H        TYR   7  -2.823  -4.706  -2.100
   53    HA   TYR   7           HA       TYR   7  -2.182  -7.556  -2.369
   54   1HB   TYR   7          1HB       TYR   7  -0.626  -5.287  -1.047
   55   2HB   TYR   7          2HB       TYR   7   0.014  -6.883  -1.394
   56    HD1  TYR   7           HD1      TYR   7  -0.501  -7.656  -3.975
   57    HD2  TYR   7           HD2      TYR   7  -0.110  -3.621  -2.644
   58    HE1  TYR   7           HE1      TYR   7   0.041  -6.955  -6.248
   59    HE2  TYR   7           HE2      TYR   7   0.427  -2.927  -4.928
   60    HH   TYR   7           HH       TYR   7   0.497  -5.282  -7.595
   61    H    CYS   8           H        CYS   8  -2.734  -5.289   0.312
   62    HA   CYS   8           HA       CYS   8  -3.132  -7.631   2.158
   63   1HB   CYS   8          1HB       CYS   8  -2.562  -6.140   3.982
   64   2HB   CYS   8          2HB       CYS   8  -1.262  -6.168   2.825
   65    H    GLU   9           H        GLU   9  -4.128  -4.499   1.220
   66    HA   GLU   9           HA       GLU   9  -6.358  -3.809   0.715
   67   1HB   GLU   9          1HB       GLU   9  -7.211  -5.418   3.220
   68   2HB   GLU   9          2HB       GLU   9  -8.261  -4.402   2.277
   69   1HG   GLU   9          2HG       GLU   9  -6.937  -6.953   1.234
   70   2HG   GLU   9          1HG       GLU   9  -8.633  -6.672   1.554
   71    H    LEU  10           H        LEU  10  -4.342  -2.444   1.719
   72    HA   LEU  10           HA       LEU  10  -5.308  -0.977   4.126
   73   1HB   LEU  10          1HB       LEU  10  -2.887  -1.623   4.096
   74   2HB   LEU  10          2HB       LEU  10  -2.676  -0.778   2.567
   75    HG   LEU  10           HG       LEU  10  -3.381   1.364   3.759
   76   1HD1  LEU  10          1HD1      LEU  10  -4.537   0.345   5.714
   77   2HD1  LEU  10          2HD1      LEU  10  -3.237   1.404   6.231
   78   3HD1  LEU  10          3HD1      LEU  10  -3.010  -0.336   6.251
   79   1HD2  LEU  10          1HD2      LEU  10  -1.114   0.997   3.250
   80   2HD2  LEU  10          2HD2      LEU  10  -0.879   0.063   4.726
   81   3HD2  LEU  10          3HD2      LEU  10  -1.250   1.776   4.812
   82    H    ARG  11           H        ARG  11  -5.368   1.311   4.040
   83    HA   ARG  11           HA       ARG  11  -6.012   2.482   1.368
   84   1HB   ARG  11          1HB       ARG  11  -7.324   2.970   4.075
   85   2HB   ARG  11          2HB       ARG  11  -7.692   3.857   2.611
   86   1HG   ARG  11          2HG       ARG  11  -8.297   1.608   1.519
   87   2HG   ARG  11          1HG       ARG  11  -8.075   0.865   3.087
   88   1HD   ARG  11          2HD       ARG  11  -9.866   2.166   4.070
   89   2HD   ARG  11          1HD       ARG  11 -10.016   3.160   2.621
   90    HE   ARG  11           HE       ARG  11 -10.663   0.241   2.699
   91   1HH1  ARG  11          1HH2      ARG  11 -10.242   2.469   0.361
   92   2HH1  ARG  11          2HH2      ARG  11 -11.877   2.498  -0.212
   93   1HH2  ARG  11          1HH1      ARG  11 -13.104   0.678   2.507
   94   2HH2  ARG  11          2HH1      ARG  11 -13.531   1.478   1.029
   95    H    SER  12           H        SER  12  -6.128   5.092   1.855
   96    HA   SER  12           HA       SER  12  -3.749   5.850   3.472
   97   1HB   SER  12          2HB       SER  12  -2.739   5.476   1.339
   98   2HB   SER  12          1HB       SER  12  -4.025   6.315   0.464
   99    HG   SER  12           HG       SER  12  -3.161   8.148   1.001
  100    H    ALA  13           H        ALA  13  -5.685   7.490   1.085
  101    HA   ALA  13           HA       ALA  13  -7.502   9.058   1.504
  102   1HB   ALA  13          1HB       ALA  13  -7.439  10.610   3.428
  103   2HB   ALA  13          2HB       ALA  13  -5.904   9.971   3.960
  104   3HB   ALA  13          3HB       ALA  13  -7.347   8.969   4.032
  105    H    ASP  14           H        ASP  14  -4.092   9.310   1.467
  106    HA   ASP  14           HA       ASP  14  -4.200  11.983   0.169
  107   1HB   ASP  14          1HB       ASP  14  -1.787  12.179   0.989
  108   2HB   ASP  14          2HB       ASP  14  -3.034  12.246   2.223
  109    H    SER  15           H        SER  15  -2.410   8.925   0.112
  110    HA   SER  15           HA       SER  15  -2.079   7.795  -2.067
  111   1HB   SER  15          2HB       SER  15  -2.389   9.847  -3.554
  112   2HB   SER  15          1HB       SER  15  -0.843  10.478  -2.958
  113    HG   SER  15           HG       SER  15   0.040   9.203  -4.328
  114    H    SER  16           H        SER  16   0.119  10.276  -0.777
  115    HA   SER  16           HA       SER  16   2.598   9.081  -1.192
  116   1HB   SER  16          2HB       SER  16   2.466  11.314  -0.197
  117   2HB   SER  16          1HB       SER  16   1.657  10.683   1.242
  118    HG   SER  16           HG       SER  16   4.277  10.735   0.665
  119    H    ASN  17           H        ASN  17   0.563   8.686   1.581
  120    HA   ASN  17           HA       ASN  17   2.056   6.764   3.032
  121   1HB   ASN  17          1HB       ASN  17  -0.896   7.439   3.155
  122   2HB   ASN  17          2HB       ASN  17   0.011   6.602   4.400
  123   1HD2  ASN  17          2HD2      ASN  17   2.147   8.952   3.138
  124   2HD2  ASN  17          1HD2      ASN  17   1.798  10.171   4.255
  125    H    LEU  18           H        LEU  18   0.693   6.218   0.141
  126    HA   LEU  18           HA       LEU  18  -0.111   3.404   0.698
  127   1HB   LEU  18          1HB       LEU  18  -1.766   4.914  -0.600
  128   2HB   LEU  18          2HB       LEU  18  -0.531   5.096  -1.836
  129    HG   LEU  18           HG       LEU  18  -0.542   2.569  -2.127
  130   1HD1  LEU  18          1HD1      LEU  18  -3.063   2.774  -0.410
  131   2HD1  LEU  18          2HD1      LEU  18  -1.582   1.961   0.075
  132   3HD1  LEU  18          3HD1      LEU  18  -2.519   1.343  -1.268
  133   1HD2  LEU  18          1HD2      LEU  18  -2.639   2.590  -3.450
  134   2HD2  LEU  18          2HD2      LEU  18  -1.749   4.085  -3.670
  135   3HD2  LEU  18          3HD2      LEU  18  -3.151   4.051  -2.615
  136    H    LYS  19           H        LYS  19   1.634   5.517  -1.509
  137    HA   LYS  19           HA       LYS  19   3.166   3.570  -2.880
  138   1HB   LYS  19          1HB       LYS  19   3.612   6.491  -2.240
  139   2HB   LYS  19          2HB       LYS  19   4.958   5.579  -2.888
  140   1HG   LYS  19          2HG       LYS  19   3.490   4.852  -4.814
  141   2HG   LYS  19          1HG       LYS  19   2.218   5.890  -4.194
  142   1HD   LYS  19          2HD       LYS  19   5.005   7.000  -4.740
  143   2HD   LYS  19          1HD       LYS  19   3.866   6.798  -6.050
  144   1HE   LYS  19          2HE       LYS  19   3.074   8.327  -3.539
  145   2HE   LYS  19          1HE       LYS  19   3.911   9.107  -4.877
  146   1HZ   LYS  19          1HZ       LYS  19   1.176   8.470  -4.702
  147   2HZ   LYS  19          2HZ       LYS  19   1.868   7.551  -5.937
  148   3HZ   LYS  19          3HZ       LYS  19   2.023   9.238  -5.944
  149    H    THR  20           H        THR  20   4.105   5.436   0.004
  150    HA   THR  20           HA       THR  20   6.531   3.982   0.492
  151    HB   THR  20           HB       THR  20   6.026   6.271   1.518
  152    HG1  THR  20           HG1      THR  20   6.373   4.894   3.781
  153   1HG2  THR  20          1HG2      THR  20   4.606   6.398   3.519
  154   2HG2  THR  20          2HG2      THR  20   4.250   4.679   3.458
  155   3HG2  THR  20          3HG2      THR  20   3.618   5.748   2.218
  156    H    HIS  21           H        HIS  21   3.190   3.506   1.624
  157    HA   HIS  21           HA       HIS  21   3.612   1.498   3.527
  158   1HB   HIS  21          1HB       HIS  21   1.346   2.171   3.296
  159   2HB   HIS  21          2HB       HIS  21   1.364   2.028   1.553
  160    HD1  HIS  21           HD1      HIS  21   1.753  -0.358   4.442
  161    HD2  HIS  21           HD2      HIS  21   0.129  -0.294   0.677
  162    HE1  HIS  21           HE1      HIS  21   0.676  -2.559   4.089
  163    H    ILE  22           H        ILE  22   2.815   0.942   0.136
  164    HA   ILE  22           HA       ILE  22   3.252  -1.777  -0.070
  165    HB   ILE  22           HB       ILE  22   3.812   0.397  -2.130
  166   1HG1  ILE  22          2HG1      ILE  22   1.408  -1.430  -1.684
  167   2HG1  ILE  22          1HG1      ILE  22   1.470   0.241  -1.166
  168   1HG2  ILE  22          1HG2      ILE  22   3.609  -1.453  -3.830
  169   2HG2  ILE  22          2HG2      ILE  22   3.475  -2.619  -2.526
  170   3HG2  ILE  22          3HG2      ILE  22   4.967  -1.725  -2.773
  171   1HD1  ILE  22          1HD       ILE  22   1.788   0.963  -3.530
  172   2HD1  ILE  22          2HD       ILE  22   0.287   0.074  -3.314
  173   3HD1  ILE  22          3HD       ILE  22   1.667  -0.712  -4.054
  174    H    LYS  23           H        LYS  23   5.739   0.620  -0.938
  175    HA   LYS  23           HA       LYS  23   7.809  -1.159  -1.441
  176   1HB   LYS  23          1HB       LYS  23   7.990   1.568  -0.130
  177   2HB   LYS  23          2HB       LYS  23   9.343   0.733  -0.863
  178   1HG   LYS  23          2HG       LYS  23   6.791   1.624  -2.288
  179   2HG   LYS  23          1HG       LYS  23   8.344   2.397  -2.441
  180   1HD   LYS  23          2HD       LYS  23   7.561  -0.391  -3.419
  181   2HD   LYS  23          1HD       LYS  23   7.919   1.004  -4.402
  182   1HE   LYS  23          2HE       LYS  23   9.941  -0.489  -2.680
  183   2HE   LYS  23          1HE       LYS  23   9.845  -0.477  -4.431
  184   1HZ   LYS  23          1HZ       LYS  23  11.091   1.298  -4.465
  185   2HZ   LYS  23          2HZ       LYS  23  11.163   1.328  -2.771
  186   3HZ   LYS  23          3HZ       LYS  23   9.933   2.172  -3.580
  187    H    THR  24           H        THR  24   6.677  -0.169   1.708
  188    HA   THR  24           HA       THR  24   8.902  -1.555   3.036
  189    HB   THR  24           HB       THR  24   6.592   0.003   4.316
  190    HG1  THR  24           HG1      THR  24   7.542   1.380   3.031
  191   1HG2  THR  24          1HG2      THR  24   8.125  -1.319   5.908
  192   2HG2  THR  24          2HG2      THR  24   8.272   0.420   6.098
  193   3HG2  THR  24          3HG2      THR  24   9.500  -0.474   5.216
  194    H    LYS  25           H        LYS  25   5.470  -1.964   2.954
  195    HA   LYS  25           HA       LYS  25   5.592  -4.340   4.707
  196   1HB   LYS  25          1HB       LYS  25   3.228  -2.958   3.402
  197   2HB   LYS  25          2HB       LYS  25   3.096  -4.239   4.602
  198   1HG   LYS  25          2HG       LYS  25   4.329  -1.476   5.029
  199   2HG   LYS  25          1HG       LYS  25   2.775  -2.017   5.623
  200   1HD   LYS  25          2HD       LYS  25   3.975  -3.809   6.974
  201   2HD   LYS  25          1HD       LYS  25   5.505  -3.112   6.458
  202   1HE   LYS  25          2HE       LYS  25   4.890  -2.232   8.678
  203   2HE   LYS  25          1HE       LYS  25   4.887  -0.940   7.490
  204   1HZ   LYS  25          1HZ       LYS  25   2.806  -1.788   9.131
  205   2HZ   LYS  25          2HZ       LYS  25   2.346  -2.104   7.529
  206   3HZ   LYS  25          3HZ       LYS  25   2.801  -0.531   7.990
  207    H    HIS  26           H        HIS  26   5.572  -3.766   1.340
  208    HA   HIS  26           HA       HIS  26   4.858  -6.629   0.846
  209   1HB   HIS  26          1HB       HIS  26   4.298  -4.184  -0.898
  210   2HB   HIS  26          2HB       HIS  26   4.005  -5.837  -1.409
  211    HD1  HIS  26           HD1      HIS  26   2.709  -7.031   0.974
  212    HD2  HIS  26           HD2      HIS  26   1.777  -3.201  -0.109
  213    HE1  HIS  26           HE1      HIS  26   0.532  -6.538   1.991
  214    H    SER  27           H        SER  27   6.832  -3.924  -0.273
  215    HA   SER  27           HA       SER  27   8.694  -5.903  -1.567
  216   1HB   SER  27          2HB       SER  27   8.476  -2.897  -2.080
  217   2HB   SER  27          1HB       SER  27   9.440  -4.051  -3.002
  218    HG   SER  27           HG       SER  27   6.948  -4.987  -2.736
  219    H    LYS  28           H        LYS  28   8.548  -5.516   1.106
  220    HA   LYS  28           HA       LYS  28   9.790  -4.161   2.852
  221   1HB   LYS  28          1HB       LYS  28   9.270  -6.532   3.152
  222   2HB   LYS  28          2HB       LYS  28  10.695  -6.984   2.214
  223   1HG   LYS  28          2HG       LYS  28  12.149  -5.896   3.974
  224   2HG   LYS  28          1HG       LYS  28  10.703  -5.489   4.872
  225   1HD   LYS  28          2HD       LYS  28  11.778  -7.533   5.770
  226   2HD   LYS  28          1HD       LYS  28  10.163  -7.866   5.182
  227   1HE   LYS  28          2HE       LYS  28  11.871  -9.598   4.519
  228   2HE   LYS  28          1HE       LYS  28  11.060  -8.903   3.130
  229   1HZ   LYS  28          1HZ       LYS  28  13.331  -7.359   3.767
  230   2HZ   LYS  28          2HZ       LYS  28  13.008  -8.254   2.358
  231   3HZ   LYS  28          3HZ       LYS  28  13.775  -8.995   3.678
  232    H    GLU  29           H        GLU  29  11.119  -2.495   2.212
  233    HA   GLU  29           HA       GLU  29  13.887  -3.207   1.302
  234   1HB   GLU  29          1HB       GLU  29  14.055  -1.013   0.409
  235   2HB   GLU  29          2HB       GLU  29  12.417  -1.471   0.040
  236   1HG   GLU  29          2HG       GLU  29  13.312   0.482   2.224
  237   2HG   GLU  29          1HG       GLU  29  12.454   0.844   0.767
  238    H    LYS  30           H        LYS  30  13.065  -3.775   3.903
  239    HA   LYS  30           HA       LYS  30  14.681  -1.854   5.535
  240   1HB   LYS  30          1HB       LYS  30  12.098  -2.058   5.962
  241   2HB   LYS  30          2HB       LYS  30  12.465  -3.649   6.602
  242   1HG   LYS  30          2HG       LYS  30  12.347  -2.028   8.426
  243   2HG   LYS  30          1HG       LYS  30  13.966  -2.666   8.298
  244   1HD   LYS  30          2HD       LYS  30  13.913  -0.182   8.666
  245   2HD   LYS  30          1HD       LYS  30  14.760  -0.604   7.200
  246   1HE   LYS  30          2HE       LYS  30  12.758  -0.029   5.852
  247   2HE   LYS  30          1HE       LYS  30  11.822   0.276   7.304
  248   1HZ   LYS  30          1HZ       LYS  30  14.183   1.789   7.395
  249   2HZ   LYS  30          2HZ       LYS  30  12.576   2.326   7.310
  250   3HZ   LYS  30          3HZ       LYS  30  13.441   2.023   5.885
  Start of MODEL   17
    1   1H    LYS   1          1H        LYS   1 -13.040   2.222  -4.329
    2   2H    LYS   1          2H        LYS   1 -14.499   2.907  -3.787
    3   3H    LYS   1          3H        LYS   1 -13.067   3.166  -2.913
    4    HA   LYS   1           HA       LYS   1 -12.576   4.025  -5.515
    5   1HB   LYS   1          2HB       LYS   1 -15.160   4.185  -5.516
    6   2HB   LYS   1          1HB       LYS   1 -15.025   5.292  -4.170
    7   1HG   LYS   1          2HG       LYS   1 -13.695   6.868  -5.611
    8   2HG   LYS   1          1HG       LYS   1 -13.819   5.740  -6.943
    9   1HD   LYS   1          2HD       LYS   1 -15.538   7.434  -7.254
   10   2HD   LYS   1          1HD       LYS   1 -16.339   5.941  -6.816
   11   1HE   LYS   1          2HE       LYS   1 -16.589   6.705  -4.481
   12   2HE   LYS   1          1HE       LYS   1 -15.673   8.164  -4.834
   13   1HZ   LYS   1          1HZ       LYS   1 -17.759   7.937  -6.688
   14   2HZ   LYS   1          2HZ       LYS   1 -17.521   9.118  -5.489
   15   3HZ   LYS   1          3HZ       LYS   1 -18.398   7.710  -5.128
   16    H    THR   2           H        THR   2 -11.184   3.600  -3.477
   17    HA   THR   2           HA       THR   2 -10.618   6.210  -2.135
   18    HB   THR   2           HB       THR   2 -10.061   3.522  -0.751
   19    HG1  THR   2           HG1      THR   2 -12.124   3.193  -0.710
   20   1HG2  THR   2          1HG2      THR   2 -10.636   4.851   1.263
   21   2HG2  THR   2          2HG2      THR   2 -11.147   6.204   0.278
   22   3HG2  THR   2          3HG2      THR   2  -9.447   5.794   0.391
   23    H    TYR   3           H        TYR   3  -8.353   5.409  -0.894
   24    HA   TYR   3           HA       TYR   3  -6.365   4.920  -3.080
   25   1HB   TYR   3          1HB       TYR   3  -6.098   6.316  -0.366
   26   2HB   TYR   3          2HB       TYR   3  -4.772   6.129  -1.509
   27    HD1  TYR   3           HD1      TYR   3  -8.210   7.647  -1.213
   28    HD2  TYR   3           HD2      TYR   3  -4.377   7.825  -3.062
   29    HE1  TYR   3           HE1      TYR   3  -8.814   9.771  -2.267
   30    HE2  TYR   3           HE2      TYR   3  -4.986   9.946  -4.118
   31    HH   TYR   3           HH       TYR   3  -8.158  11.440  -3.570
   32    H    GLN   4           H        GLN   4  -6.887   2.704  -2.798
   33    HA   GLN   4           HA       GLN   4  -6.160   1.496  -0.173
   34   1HB   GLN   4          1HB       GLN   4  -8.460   1.108  -1.106
   35   2HB   GLN   4          2HB       GLN   4  -7.724   0.277  -2.476
   36   1HG   GLN   4          2HG       GLN   4  -6.665  -1.323  -0.696
   37   2HG   GLN   4          1HG       GLN   4  -7.787  -0.588   0.429
   38   1HE2  GLN   4          2HE2      GLN   4  -7.366  -2.962  -1.878
   39   2HE2  GLN   4          1HE2      GLN   4  -8.986  -3.436  -2.098
   40    H    CYS   5           H        CYS   5  -5.119  -0.472  -0.167
   41    HA   CYS   5           HA       CYS   5  -2.781  -0.640  -1.958
   42   1HB   CYS   5          1HB       CYS   5  -2.468  -0.809   0.469
   43   2HB   CYS   5          2HB       CYS   5  -3.631  -2.137   0.538
   44    H    GLN   6           H        GLN   6  -2.135  -2.748  -2.812
   45    HA   GLN   6           HA       GLN   6  -4.457  -4.461  -3.630
   46   1HB   GLN   6          1HB       GLN   6  -2.034  -3.639  -5.277
   47   2HB   GLN   6          2HB       GLN   6  -3.321  -4.689  -5.837
   48   1HG   GLN   6          2HG       GLN   6  -4.968  -2.841  -5.587
   49   2HG   GLN   6          1HG       GLN   6  -3.715  -1.781  -4.962
   50   1HE2  GLN   6          2HE2      GLN   6  -5.366  -2.427  -7.755
   51   2HE2  GLN   6          1HE2      GLN   6  -4.193  -1.944  -8.887
   52    H    TYR   7           H        TYR   7  -2.796  -4.864  -1.408
   53    HA   TYR   7           HA       TYR   7  -1.587  -7.507  -2.075
   54   1HB   TYR   7          1HB       TYR   7  -0.362  -5.226  -0.512
   55   2HB   TYR   7          2HB       TYR   7   0.177  -6.886  -0.269
   56    HD1  TYR   7           HD1      TYR   7   1.039  -8.188  -2.245
   57    HD2  TYR   7           HD2      TYR   7   0.414  -3.978  -2.446
   58    HE1  TYR   7           HE1      TYR   7   2.470  -8.055  -4.223
   59    HE2  TYR   7           HE2      TYR   7   1.854  -3.868  -4.427
   60    HH   TYR   7           HH       TYR   7   3.412  -6.784  -5.729
   61    H    CYS   8           H        CYS   8  -2.562  -5.324   0.504
   62    HA   CYS   8           HA       CYS   8  -3.542  -7.679   2.074
   63   1HB   CYS   8          1HB       CYS   8  -3.311  -6.286   4.057
   64   2HB   CYS   8          2HB       CYS   8  -1.796  -6.439   3.212
   65    H    GLU   9           H        GLU   9  -4.262  -4.250   1.815
   66    HA   GLU   9           HA       GLU   9  -6.520  -3.642   0.759
   67   1HB   GLU   9          1HB       GLU   9  -8.508  -4.318   1.965
   68   2HB   GLU   9          2HB       GLU   9  -7.715  -5.781   1.558
   69   1HG   GLU   9          2HG       GLU   9  -8.203  -4.489   4.275
   70   2HG   GLU   9          1HG       GLU   9  -8.414  -6.142   3.789
   71    H    LEU  10           H        LEU  10  -4.431  -2.443   2.190
   72    HA   LEU  10           HA       LEU  10  -5.576  -1.176   4.591
   73   1HB   LEU  10          1HB       LEU  10  -3.141  -1.602   4.551
   74   2HB   LEU  10          2HB       LEU  10  -2.966  -0.672   3.066
   75    HG   LEU  10           HG       LEU  10  -3.770   1.391   4.362
   76   1HD1  LEU  10          1HD1      LEU  10  -4.946   0.179   6.223
   77   2HD1  LEU  10          2HD1      LEU  10  -3.740   1.295   6.829
   78   3HD1  LEU  10          3HD1      LEU  10  -3.399  -0.428   6.782
   79   1HD2  LEU  10          1HD2      LEU  10  -1.416   1.028   3.926
   80   2HD2  LEU  10          2HD2      LEU  10  -1.260   0.067   5.392
   81   3HD2  LEU  10          3HD2      LEU  10  -1.652   1.777   5.492
   82    H    ARG  11           H        ARG  11  -5.881   1.078   4.742
   83    HA   ARG  11           HA       ARG  11  -6.635   2.428   2.177
   84   1HB   ARG  11          1HB       ARG  11  -8.565   1.761   3.692
   85   2HB   ARG  11          2HB       ARG  11  -7.894   2.826   4.912
   86   1HG   ARG  11          2HG       ARG  11  -7.907   4.572   2.791
   87   2HG   ARG  11          1HG       ARG  11  -9.165   3.481   2.256
   88   1HD   ARG  11          2HD       ARG  11 -10.093   5.396   3.567
   89   2HD   ARG  11          1HD       ARG  11 -10.434   3.855   4.346
   90    HE   ARG  11           HE       ARG  11  -8.553   4.313   5.897
   91   1HH1  ARG  11          2HH1      ARG  11  -7.071   6.333   4.430
   92   2HH1  ARG  11          1HH1      ARG  11  -7.551   7.821   5.176
   93   1HH2  ARG  11          1HH2      ARG  11 -10.384   6.369   6.658
   94   2HH2  ARG  11          2HH2      ARG  11  -9.493   7.842   6.477
   95    H    SER  12           H        SER  12  -5.386   4.052   1.792
   96    HA   SER  12           HA       SER  12  -4.318   5.786   3.969
   97   1HB   SER  12          2HB       SER  12  -2.768   4.636   1.571
   98   2HB   SER  12          1HB       SER  12  -2.115   5.831   2.707
   99    HG   SER  12           HG       SER  12  -2.368   3.180   3.004
  100    H    ALA  13           H        ALA  13  -6.232   6.946   3.321
  101    HA   ALA  13           HA       ALA  13  -6.518   8.072   0.662
  102   1HB   ALA  13          1HB       ALA  13  -7.882   8.778   3.285
  103   2HB   ALA  13          2HB       ALA  13  -8.468   7.620   2.101
  104   3HB   ALA  13          3HB       ALA  13  -8.395   9.325   1.696
  105    H    ASP  14           H        ASP  14  -4.271   8.775   0.744
  106    HA   ASP  14           HA       ASP  14  -4.076  11.667   1.355
  107   1HB   ASP  14          1HB       ASP  14  -2.896  10.624   3.202
  108   2HB   ASP  14          2HB       ASP  14  -2.135   9.450   2.144
  109    H    SER  15           H        SER  15  -2.273   9.001   0.095
  110    HA   SER  15           HA       SER  15  -2.118   8.585  -2.376
  111   1HB   SER  15          2HB       SER  15  -1.004  10.396  -3.761
  112   2HB   SER  15          1HB       SER  15  -2.545  10.961  -3.132
  113    HG   SER  15           HG       SER  15   0.061  11.642  -2.349
  114    H    SER  16           H        SER  16   0.269  10.732  -0.792
  115    HA   SER  16           HA       SER  16   2.579   9.322  -1.641
  116   1HB   SER  16          2HB       SER  16   2.228  10.962   0.939
  117   2HB   SER  16          1HB       SER  16   3.757  10.609   0.113
  118    HG   SER  16           HG       SER  16   3.292  12.123  -1.241
  119    H    ASN  17           H        ASN  17   0.913   9.228   1.425
  120    HA   ASN  17           HA       ASN  17   2.211   7.300   2.873
  121   1HB   ASN  17          1HB       ASN  17   0.237   8.586   3.659
  122   2HB   ASN  17          2HB       ASN  17  -0.811   7.642   2.615
  123   1HD2  ASN  17          1HD2      ASN  17   1.694   5.693   4.016
  124   2HD2  ASN  17          2HD2      ASN  17   0.764   5.037   5.273
  125    H    LEU  18           H        LEU  18  -0.384   6.590   0.525
  126    HA   LEU  18           HA       LEU  18  -0.264   3.780   0.809
  127   1HB   LEU  18          1HB       LEU  18  -2.120   5.025  -0.443
  128   2HB   LEU  18          2HB       LEU  18  -0.958   5.465  -1.688
  129    HG   LEU  18           HG       LEU  18  -0.663   3.084  -2.306
  130   1HD1  LEU  18          1HD1      LEU  18  -2.211   1.380  -1.368
  131   2HD1  LEU  18          2HD1      LEU  18  -2.884   2.571  -0.269
  132   3HD1  LEU  18          3HD1      LEU  18  -1.215   2.045  -0.093
  133   1HD2  LEU  18          1HD2      LEU  18  -2.385   4.457  -3.458
  134   2HD2  LEU  18          2HD2      LEU  18  -3.578   3.972  -2.264
  135   3HD2  LEU  18          3HD2      LEU  18  -2.884   2.778  -3.350
  136    H    LYS  19           H        LYS  19   1.355   5.717  -1.687
  137    HA   LYS  19           HA       LYS  19   2.701   3.723  -3.046
  138   1HB   LYS  19          1HB       LYS  19   3.876   6.419  -2.145
  139   2HB   LYS  19          2HB       LYS  19   4.602   5.406  -3.375
  140   1HG   LYS  19          2HG       LYS  19   2.488   5.584  -4.723
  141   2HG   LYS  19          1HG       LYS  19   1.847   6.697  -3.523
  142   1HD   LYS  19          2HD       LYS  19   3.719   8.274  -3.957
  143   2HD   LYS  19          1HD       LYS  19   4.424   7.150  -5.102
  144   1HE   LYS  19          2HE       LYS  19   2.329   7.298  -6.493
  145   2HE   LYS  19          1HE       LYS  19   1.708   8.508  -5.380
  146   1HZ   LYS  19          1HZ       LYS  19   4.289   9.262  -6.141
  147   2HZ   LYS  19          2HZ       LYS  19   2.814  10.035  -6.477
  148   3HZ   LYS  19          3HZ       LYS  19   3.420   8.862  -7.546
  149    H    THR  20           H        THR  20   4.060   5.358  -0.237
  150    HA   THR  20           HA       THR  20   6.304   3.627   0.054
  151    HB   THR  20           HB       THR  20   6.375   5.759   1.205
  152    HG1  THR  20           HG1      THR  20   6.578   3.392   2.597
  153   1HG2  THR  20          1HG2      THR  20   4.066   4.819   2.962
  154   2HG2  THR  20          2HG2      THR  20   3.947   6.061   1.714
  155   3HG2  THR  20          3HG2      THR  20   4.958   6.322   3.117
  156    H    HIS  21           H        HIS  21   3.080   3.436   1.768
  157    HA   HIS  21           HA       HIS  21   3.540   1.335   3.446
  158   1HB   HIS  21          1HB       HIS  21   1.315   2.259   3.322
  159   2HB   HIS  21          2HB       HIS  21   1.144   1.863   1.623
  160    HD1  HIS  21           HD1      HIS  21   1.420   0.020   4.912
  161    HD2  HIS  21           HD2      HIS  21   0.142  -0.610   1.081
  162    HE1  HIS  21           HE1      HIS  21   0.353  -2.210   4.886
  163    H    ILE  22           H        ILE  22   2.398   0.785   0.147
  164    HA   ILE  22           HA       ILE  22   2.633  -1.914  -0.109
  165    HB   ILE  22           HB       ILE  22   3.216   0.251  -2.182
  166   1HG1  ILE  22          2HG1      ILE  22   0.691  -1.356  -1.518
  167   2HG1  ILE  22          1HG1      ILE  22   0.958   0.300  -1.024
  168   1HG2  ILE  22          1HG2      ILE  22   2.685  -1.527  -3.878
  169   2HG2  ILE  22          2HG2      ILE  22   2.548  -2.704  -2.585
  170   3HG2  ILE  22          3HG2      ILE  22   4.097  -1.973  -2.948
  171   1HD1  ILE  22          1HD       ILE  22   1.076   1.004  -3.401
  172   2HD1  ILE  22          2HD       ILE  22  -0.456   0.236  -3.018
  173   3HD1  ILE  22          3HD       ILE  22   0.762  -0.651  -3.909
  174    H    LYS  23           H        LYS  23   5.249   0.209  -1.268
  175    HA   LYS  23           HA       LYS  23   7.075  -1.907  -1.709
  176   1HB   LYS  23          1HB       LYS  23   8.821  -0.090  -1.738
  177   2HB   LYS  23          2HB       LYS  23   7.423   0.194  -2.745
  178   1HG   LYS  23          2HG       LYS  23   6.465   1.669  -0.967
  179   2HG   LYS  23          1HG       LYS  23   7.898   1.424  -0.001
  180   1HD   LYS  23          2HD       LYS  23   8.132   3.537  -1.176
  181   2HD   LYS  23          1HD       LYS  23   9.279   2.413  -1.873
  182   1HE   LYS  23          2HE       LYS  23   7.693   1.988  -3.773
  183   2HE   LYS  23          1HE       LYS  23   6.542   3.106  -3.052
  184   1HZ   LYS  23          1HZ       LYS  23   8.688   3.662  -4.730
  185   2HZ   LYS  23          2HZ       LYS  23   9.024   4.375  -3.228
  186   3HZ   LYS  23          3HZ       LYS  23   7.580   4.749  -4.038
  187    H    THR  24           H        THR  24   6.520  -0.166   1.345
  188    HA   THR  24           HA       THR  24   8.735  -1.752   2.543
  189    HB   THR  24           HB       THR  24   8.445  -0.026   4.497
  190    HG1  THR  24           HG1      THR  24   6.686   1.071   4.307
  191   1HG2  THR  24          1HG2      THR  24   9.448   1.859   3.256
  192   2HG2  THR  24          2HG2      THR  24   8.905   1.191   1.730
  193   3HG2  THR  24          3HG2      THR  24  10.150   0.367   2.652
  194    H    LYS  25           H        LYS  25   5.985  -2.816   2.079
  195    HA   LYS  25           HA       LYS  25   5.694  -4.044   4.756
  196   1HB   LYS  25          1HB       LYS  25   3.482  -2.600   3.223
  197   2HB   LYS  25          2HB       LYS  25   3.081  -3.898   4.321
  198   1HG   LYS  25          2HG       LYS  25   4.624  -1.385   5.078
  199   2HG   LYS  25          1HG       LYS  25   2.933  -1.676   5.431
  200   1HD   LYS  25          2HD       LYS  25   5.326  -3.193   6.584
  201   2HD   LYS  25          1HD       LYS  25   4.204  -2.175   7.443
  202   1HE   LYS  25          2HE       LYS  25   3.529  -4.872   6.177
  203   2HE   LYS  25          1HE       LYS  25   3.650  -4.513   7.890
  204   1HZ   LYS  25          1HZ       LYS  25   1.556  -3.928   7.891
  205   2HZ   LYS  25          2HZ       LYS  25   1.439  -4.234   6.222
  206   3HZ   LYS  25          3HZ       LYS  25   1.865  -2.687   6.774
  207    H    HIS  26           H        HIS  26   5.238  -4.072   1.363
  208    HA   HIS  26           HA       HIS  26   4.705  -7.014   1.423
  209   1HB   HIS  26          1HB       HIS  26   3.870  -4.948  -0.669
  210   2HB   HIS  26          2HB       HIS  26   3.493  -6.659  -0.714
  211    HD1  HIS  26           HD1      HIS  26   2.343  -7.296   1.846
  212    HD2  HIS  26           HD2      HIS  26   1.681  -3.552   0.318
  213    HE1  HIS  26           HE1      HIS  26   0.329  -6.437   2.969
  214    H    SER  27           H        SER  27   5.933  -4.447  -0.548
  215    HA   SER  27           HA       SER  27   7.936  -4.057  -1.662
  216   1HB   SER  27          2HB       SER  27   8.819  -6.914  -0.846
  217   2HB   SER  27          1HB       SER  27   9.830  -5.635  -1.507
  218    HG   SER  27           HG       SER  27   9.993  -4.927   0.436
  219    H    LYS  28           H        LYS  28   7.049  -7.412  -1.934
  220    HA   LYS  28           HA       LYS  28   6.320  -7.093  -4.776
  221   1HB   LYS  28          1HB       LYS  28   8.629  -7.790  -4.778
  222   2HB   LYS  28          2HB       LYS  28   8.296  -9.181  -3.749
  223   1HG   LYS  28          2HG       LYS  28   8.533  -9.830  -6.134
  224   2HG   LYS  28          1HG       LYS  28   6.913 -10.165  -5.567
  225   1HD   LYS  28          2HD       LYS  28   6.067  -8.097  -6.649
  226   2HD   LYS  28          1HD       LYS  28   7.696  -7.631  -7.096
  227   1HE   LYS  28          2HE       LYS  28   6.338 -10.188  -8.055
  228   2HE   LYS  28          1HE       LYS  28   6.365  -8.690  -8.976
  229   1HZ   LYS  28          1HZ       LYS  28   8.345  -9.216  -9.726
  230   2HZ   LYS  28          2HZ       LYS  28   8.318 -10.665  -8.845
  231   3HZ   LYS  28          3HZ       LYS  28   8.978  -9.264  -8.150
  232    H    GLU  29           H        GLU  29   6.461  -9.131  -2.025
  233    HA   GLU  29           HA       GLU  29   5.317 -11.096  -1.416
  234   1HB   GLU  29          1HB       GLU  29   4.369  -9.123  -0.286
  235   2HB   GLU  29          2HB       GLU  29   3.207  -8.910  -1.575
  236   1HG   GLU  29          2HG       GLU  29   2.365 -11.316  -1.009
  237   2HG   GLU  29          1HG       GLU  29   3.383 -11.202   0.418
  238    H    LYS  30           H        LYS  30   2.937  -9.559  -3.474
  239    HA   LYS  30           HA       LYS  30   2.533 -12.101  -5.011
  240   1HB   LYS  30          1HB       LYS  30   0.335 -10.309  -3.871
  241   2HB   LYS  30          2HB       LYS  30   0.047 -11.528  -5.106
  242   1HG   LYS  30          2HG       LYS  30   1.282 -13.118  -3.313
  243   2HG   LYS  30          1HG       LYS  30   0.781 -11.869  -2.195
  244   1HD   LYS  30          2HD       LYS  30  -0.971 -13.531  -2.183
  245   2HD   LYS  30          1HD       LYS  30  -1.597 -12.126  -3.023
  246   1HE   LYS  30          2HE       LYS  30  -2.126 -14.277  -4.211
  247   2HE   LYS  30          1HE       LYS  30  -1.182 -13.204  -5.223
  248   1HZ   LYS  30          1HZ       LYS  30   0.558 -14.803  -3.709
  249   2HZ   LYS  30          2HZ       LYS  30   0.359 -14.737  -5.392
  250   3HZ   LYS  30          3HZ       LYS  30  -0.596 -15.801  -4.463
  Start of MODEL   18
    1   1H    LYS   1          1H        LYS   1 -13.040   2.222  -4.329
    2   2H    LYS   1          2H        LYS   1 -14.499   2.907  -3.787
    3   3H    LYS   1          3H        LYS   1 -13.067   3.166  -2.913
    4    HA   LYS   1           HA       LYS   1 -12.576   4.025  -5.515
    5   1HB   LYS   1          2HB       LYS   1 -15.160   4.185  -5.516
    6   2HB   LYS   1          1HB       LYS   1 -15.025   5.292  -4.170
    7   1HG   LYS   1          2HG       LYS   1 -13.695   6.868  -5.611
    8   2HG   LYS   1          1HG       LYS   1 -13.819   5.740  -6.943
    9   1HD   LYS   1          2HD       LYS   1 -15.538   7.434  -7.254
   10   2HD   LYS   1          1HD       LYS   1 -16.339   5.941  -6.816
   11   1HE   LYS   1          2HE       LYS   1 -16.589   6.705  -4.481
   12   2HE   LYS   1          1HE       LYS   1 -15.673   8.164  -4.834
   13   1HZ   LYS   1          1HZ       LYS   1 -17.759   7.937  -6.688
   14   2HZ   LYS   1          2HZ       LYS   1 -17.521   9.118  -5.489
   15   3HZ   LYS   1          3HZ       LYS   1 -18.398   7.710  -5.128
   16    H    THR   2           H        THR   2 -11.184   3.600  -3.477
   17    HA   THR   2           HA       THR   2 -10.618   6.210  -2.135
   18    HB   THR   2           HB       THR   2 -10.061   3.522  -0.751
   19    HG1  THR   2           HG1      THR   2 -12.124   3.193  -0.710
   20   1HG2  THR   2          1HG2      THR   2 -10.636   4.851   1.263
   21   2HG2  THR   2          2HG2      THR   2 -11.147   6.204   0.278
   22   3HG2  THR   2          3HG2      THR   2  -9.447   5.794   0.391
   23    H    TYR   3           H        TYR   3  -8.353   5.409  -0.894
   24    HA   TYR   3           HA       TYR   3  -6.365   4.920  -3.080
   25   1HB   TYR   3          1HB       TYR   3  -6.098   6.316  -0.366
   26   2HB   TYR   3          2HB       TYR   3  -4.772   6.129  -1.509
   27    HD1  TYR   3           HD1      TYR   3  -8.210   7.647  -1.213
   28    HD2  TYR   3           HD2      TYR   3  -4.377   7.825  -3.062
   29    HE1  TYR   3           HE1      TYR   3  -8.814   9.771  -2.267
   30    HE2  TYR   3           HE2      TYR   3  -4.986   9.946  -4.118
   31    HH   TYR   3           HH       TYR   3  -8.158  11.440  -3.570
   32    H    GLN   4           H        GLN   4  -6.887   2.704  -2.798
   33    HA   GLN   4           HA       GLN   4  -6.160   1.496  -0.173
   34   1HB   GLN   4          1HB       GLN   4  -8.460   1.108  -1.106
   35   2HB   GLN   4          2HB       GLN   4  -7.724   0.277  -2.476
   36   1HG   GLN   4          2HG       GLN   4  -6.665  -1.323  -0.696
   37   2HG   GLN   4          1HG       GLN   4  -7.787  -0.588   0.429
   38   1HE2  GLN   4          2HE2      GLN   4  -7.366  -2.962  -1.878
   39   2HE2  GLN   4          1HE2      GLN   4  -8.986  -3.436  -2.098
   40    H    CYS   5           H        CYS   5  -5.119  -0.472  -0.167
   41    HA   CYS   5           HA       CYS   5  -2.781  -0.640  -1.958
   42   1HB   CYS   5          1HB       CYS   5  -2.468  -0.809   0.469
   43   2HB   CYS   5          2HB       CYS   5  -3.631  -2.137   0.538
   44    H    GLN   6           H        GLN   6  -2.135  -2.748  -2.812
   45    HA   GLN   6           HA       GLN   6  -4.457  -4.461  -3.630
   46   1HB   GLN   6          1HB       GLN   6  -2.034  -3.639  -5.277
   47   2HB   GLN   6          2HB       GLN   6  -3.321  -4.689  -5.837
   48   1HG   GLN   6          2HG       GLN   6  -4.968  -2.841  -5.587
   49   2HG   GLN   6          1HG       GLN   6  -3.715  -1.781  -4.962
   50   1HE2  GLN   6          2HE2      GLN   6  -5.366  -2.427  -7.755
   51   2HE2  GLN   6          1HE2      GLN   6  -4.193  -1.944  -8.887
   52    H    TYR   7           H        TYR   7  -2.796  -4.864  -1.408
   53    HA   TYR   7           HA       TYR   7  -1.587  -7.507  -2.075
   54   1HB   TYR   7          1HB       TYR   7  -0.362  -5.226  -0.512
   55   2HB   TYR   7          2HB       TYR   7   0.177  -6.886  -0.269
   56    HD1  TYR   7           HD1      TYR   7   1.039  -8.188  -2.245
   57    HD2  TYR   7           HD2      TYR   7   0.414  -3.978  -2.446
   58    HE1  TYR   7           HE1      TYR   7   2.470  -8.055  -4.223
   59    HE2  TYR   7           HE2      TYR   7   1.854  -3.868  -4.427
   60    HH   TYR   7           HH       TYR   7   3.412  -6.784  -5.729
   61    H    CYS   8           H        CYS   8  -2.562  -5.324   0.504
   62    HA   CYS   8           HA       CYS   8  -3.542  -7.679   2.074
   63   1HB   CYS   8          1HB       CYS   8  -3.311  -6.286   4.057
   64   2HB   CYS   8          2HB       CYS   8  -1.796  -6.439   3.212
   65    H    GLU   9           H        GLU   9  -4.262  -4.250   1.815
   66    HA   GLU   9           HA       GLU   9  -6.520  -3.642   0.759
   67   1HB   GLU   9          1HB       GLU   9  -8.508  -4.318   1.965
   68   2HB   GLU   9          2HB       GLU   9  -7.715  -5.781   1.558
   69   1HG   GLU   9          2HG       GLU   9  -8.203  -4.489   4.275
   70   2HG   GLU   9          1HG       GLU   9  -8.414  -6.142   3.789
   71    H    LEU  10           H        LEU  10  -4.431  -2.443   2.190
   72    HA   LEU  10           HA       LEU  10  -5.576  -1.176   4.591
   73   1HB   LEU  10          1HB       LEU  10  -3.141  -1.602   4.551
   74   2HB   LEU  10          2HB       LEU  10  -2.966  -0.672   3.066
   75    HG   LEU  10           HG       LEU  10  -3.770   1.391   4.362
   76   1HD1  LEU  10          1HD1      LEU  10  -4.946   0.179   6.223
   77   2HD1  LEU  10          2HD1      LEU  10  -3.740   1.295   6.829
   78   3HD1  LEU  10          3HD1      LEU  10  -3.399  -0.428   6.782
   79   1HD2  LEU  10          1HD2      LEU  10  -1.416   1.028   3.926
   80   2HD2  LEU  10          2HD2      LEU  10  -1.260   0.067   5.392
   81   3HD2  LEU  10          3HD2      LEU  10  -1.652   1.777   5.492
   82    H    ARG  11           H        ARG  11  -5.881   1.078   4.742
   83    HA   ARG  11           HA       ARG  11  -6.635   2.428   2.177
   84   1HB   ARG  11          1HB       ARG  11  -8.565   1.761   3.692
   85   2HB   ARG  11          2HB       ARG  11  -7.894   2.826   4.912
   86   1HG   ARG  11          2HG       ARG  11  -7.907   4.572   2.791
   87   2HG   ARG  11          1HG       ARG  11  -9.165   3.481   2.256
   88   1HD   ARG  11          2HD       ARG  11 -10.093   5.396   3.567
   89   2HD   ARG  11          1HD       ARG  11 -10.434   3.855   4.346
   90    HE   ARG  11           HE       ARG  11  -8.553   4.313   5.897
   91   1HH1  ARG  11          2HH1      ARG  11  -7.071   6.333   4.430
   92   2HH1  ARG  11          1HH1      ARG  11  -7.551   7.821   5.176
   93   1HH2  ARG  11          1HH2      ARG  11 -10.384   6.369   6.658
   94   2HH2  ARG  11          2HH2      ARG  11  -9.493   7.842   6.477
   95    H    SER  12           H        SER  12  -5.386   4.052   1.792
   96    HA   SER  12           HA       SER  12  -4.318   5.786   3.969
   97   1HB   SER  12          2HB       SER  12  -2.768   4.636   1.571
   98   2HB   SER  12          1HB       SER  12  -2.115   5.831   2.707
   99    HG   SER  12           HG       SER  12  -2.368   3.180   3.004
  100    H    ALA  13           H        ALA  13  -6.232   6.946   3.321
  101    HA   ALA  13           HA       ALA  13  -6.518   8.072   0.662
  102   1HB   ALA  13          1HB       ALA  13  -7.882   8.778   3.285
  103   2HB   ALA  13          2HB       ALA  13  -8.468   7.620   2.101
  104   3HB   ALA  13          3HB       ALA  13  -8.395   9.325   1.696
  105    H    ASP  14           H        ASP  14  -4.271   8.775   0.744
  106    HA   ASP  14           HA       ASP  14  -4.076  11.667   1.355
  107   1HB   ASP  14          1HB       ASP  14  -2.896  10.624   3.202
  108   2HB   ASP  14          2HB       ASP  14  -2.135   9.450   2.144
  109    H    SER  15           H        SER  15  -2.273   9.001   0.095
  110    HA   SER  15           HA       SER  15  -2.118   8.585  -2.376
  111   1HB   SER  15          2HB       SER  15  -1.004  10.396  -3.761
  112   2HB   SER  15          1HB       SER  15  -2.545  10.961  -3.132
  113    HG   SER  15           HG       SER  15   0.061  11.642  -2.349
  114    H    SER  16           H        SER  16   0.269  10.732  -0.792
  115    HA   SER  16           HA       SER  16   2.579   9.322  -1.641
  116   1HB   SER  16          2HB       SER  16   2.228  10.962   0.939
  117   2HB   SER  16          1HB       SER  16   3.757  10.609   0.113
  118    HG   SER  16           HG       SER  16   3.292  12.123  -1.241
  119    H    ASN  17           H        ASN  17   0.913   9.228   1.425
  120    HA   ASN  17           HA       ASN  17   2.211   7.300   2.873
  121   1HB   ASN  17          1HB       ASN  17   0.237   8.586   3.659
  122   2HB   ASN  17          2HB       ASN  17  -0.811   7.642   2.615
  123   1HD2  ASN  17          1HD2      ASN  17   1.694   5.693   4.016
  124   2HD2  ASN  17          2HD2      ASN  17   0.764   5.037   5.273
  125    H    LEU  18           H        LEU  18  -0.384   6.590   0.525
  126    HA   LEU  18           HA       LEU  18  -0.264   3.780   0.809
  127   1HB   LEU  18          1HB       LEU  18  -2.120   5.025  -0.443
  128   2HB   LEU  18          2HB       LEU  18  -0.958   5.465  -1.688
  129    HG   LEU  18           HG       LEU  18  -0.663   3.084  -2.306
  130   1HD1  LEU  18          1HD1      LEU  18  -2.211   1.380  -1.368
  131   2HD1  LEU  18          2HD1      LEU  18  -2.884   2.571  -0.269
  132   3HD1  LEU  18          3HD1      LEU  18  -1.215   2.045  -0.093
  133   1HD2  LEU  18          1HD2      LEU  18  -2.385   4.457  -3.458
  134   2HD2  LEU  18          2HD2      LEU  18  -3.578   3.972  -2.264
  135   3HD2  LEU  18          3HD2      LEU  18  -2.884   2.778  -3.350
  136    H    LYS  19           H        LYS  19   1.355   5.717  -1.687
  137    HA   LYS  19           HA       LYS  19   2.701   3.723  -3.046
  138   1HB   LYS  19          1HB       LYS  19   3.876   6.419  -2.145
  139   2HB   LYS  19          2HB       LYS  19   4.602   5.406  -3.375
  140   1HG   LYS  19          2HG       LYS  19   2.488   5.584  -4.723
  141   2HG   LYS  19          1HG       LYS  19   1.847   6.697  -3.523
  142   1HD   LYS  19          2HD       LYS  19   3.719   8.274  -3.957
  143   2HD   LYS  19          1HD       LYS  19   4.424   7.150  -5.102
  144   1HE   LYS  19          2HE       LYS  19   2.329   7.298  -6.493
  145   2HE   LYS  19          1HE       LYS  19   1.708   8.508  -5.380
  146   1HZ   LYS  19          1HZ       LYS  19   4.289   9.262  -6.141
  147   2HZ   LYS  19          2HZ       LYS  19   2.814  10.035  -6.477
  148   3HZ   LYS  19          3HZ       LYS  19   3.420   8.862  -7.546
  149    H    THR  20           H        THR  20   4.060   5.358  -0.237
  150    HA   THR  20           HA       THR  20   6.304   3.627   0.054
  151    HB   THR  20           HB       THR  20   6.375   5.759   1.205
  152    HG1  THR  20           HG1      THR  20   6.578   3.392   2.597
  153   1HG2  THR  20          1HG2      THR  20   4.066   4.819   2.962
  154   2HG2  THR  20          2HG2      THR  20   3.947   6.061   1.714
  155   3HG2  THR  20          3HG2      THR  20   4.958   6.322   3.117
  156    H    HIS  21           H        HIS  21   3.080   3.436   1.768
  157    HA   HIS  21           HA       HIS  21   3.540   1.335   3.446
  158   1HB   HIS  21          1HB       HIS  21   1.315   2.259   3.322
  159   2HB   HIS  21          2HB       HIS  21   1.144   1.863   1.623
  160    HD1  HIS  21           HD1      HIS  21   1.420   0.020   4.912
  161    HD2  HIS  21           HD2      HIS  21   0.142  -0.610   1.081
  162    HE1  HIS  21           HE1      HIS  21   0.353  -2.210   4.886
  163    H    ILE  22           H        ILE  22   2.398   0.785   0.147
  164    HA   ILE  22           HA       ILE  22   2.633  -1.914  -0.109
  165    HB   ILE  22           HB       ILE  22   3.216   0.251  -2.182
  166   1HG1  ILE  22          2HG1      ILE  22   0.691  -1.356  -1.518
  167   2HG1  ILE  22          1HG1      ILE  22   0.958   0.300  -1.024
  168   1HG2  ILE  22          1HG2      ILE  22   2.685  -1.527  -3.878
  169   2HG2  ILE  22          2HG2      ILE  22   2.548  -2.704  -2.585
  170   3HG2  ILE  22          3HG2      ILE  22   4.097  -1.973  -2.948
  171   1HD1  ILE  22          1HD       ILE  22   1.076   1.004  -3.401
  172   2HD1  ILE  22          2HD       ILE  22  -0.456   0.236  -3.018
  173   3HD1  ILE  22          3HD       ILE  22   0.762  -0.651  -3.909
  174    H    LYS  23           H        LYS  23   5.249   0.209  -1.268
  175    HA   LYS  23           HA       LYS  23   7.075  -1.907  -1.709
  176   1HB   LYS  23          1HB       LYS  23   8.821  -0.090  -1.738
  177   2HB   LYS  23          2HB       LYS  23   7.423   0.194  -2.745
  178   1HG   LYS  23          2HG       LYS  23   6.465   1.669  -0.967
  179   2HG   LYS  23          1HG       LYS  23   7.898   1.424  -0.001
  180   1HD   LYS  23          2HD       LYS  23   8.132   3.537  -1.176
  181   2HD   LYS  23          1HD       LYS  23   9.279   2.413  -1.873
  182   1HE   LYS  23          2HE       LYS  23   7.693   1.988  -3.773
  183   2HE   LYS  23          1HE       LYS  23   6.542   3.106  -3.052
  184   1HZ   LYS  23          1HZ       LYS  23   8.688   3.662  -4.730
  185   2HZ   LYS  23          2HZ       LYS  23   9.024   4.375  -3.228
  186   3HZ   LYS  23          3HZ       LYS  23   7.580   4.749  -4.038
  187    H    THR  24           H        THR  24   6.520  -0.166   1.345
  188    HA   THR  24           HA       THR  24   8.735  -1.752   2.543
  189    HB   THR  24           HB       THR  24   8.445  -0.026   4.497
  190    HG1  THR  24           HG1      THR  24   6.686   1.071   4.307
  191   1HG2  THR  24          1HG2      THR  24   9.448   1.859   3.256
  192   2HG2  THR  24          2HG2      THR  24   8.905   1.191   1.730
  193   3HG2  THR  24          3HG2      THR  24  10.150   0.367   2.652
  194    H    LYS  25           H        LYS  25   5.985  -2.816   2.079
  195    HA   LYS  25           HA       LYS  25   5.694  -4.044   4.756
  196   1HB   LYS  25          1HB       LYS  25   3.482  -2.600   3.223
  197   2HB   LYS  25          2HB       LYS  25   3.081  -3.898   4.321
  198   1HG   LYS  25          2HG       LYS  25   4.624  -1.385   5.078
  199   2HG   LYS  25          1HG       LYS  25   2.933  -1.676   5.431
  200   1HD   LYS  25          2HD       LYS  25   5.326  -3.193   6.584
  201   2HD   LYS  25          1HD       LYS  25   4.204  -2.175   7.443
  202   1HE   LYS  25          2HE       LYS  25   3.529  -4.872   6.177
  203   2HE   LYS  25          1HE       LYS  25   3.650  -4.513   7.890
  204   1HZ   LYS  25          1HZ       LYS  25   1.556  -3.928   7.891
  205   2HZ   LYS  25          2HZ       LYS  25   1.439  -4.234   6.222
  206   3HZ   LYS  25          3HZ       LYS  25   1.865  -2.687   6.774
  207    H    HIS  26           H        HIS  26   5.238  -4.072   1.363
  208    HA   HIS  26           HA       HIS  26   4.705  -7.014   1.423
  209   1HB   HIS  26          1HB       HIS  26   3.870  -4.948  -0.669
  210   2HB   HIS  26          2HB       HIS  26   3.493  -6.659  -0.714
  211    HD1  HIS  26           HD1      HIS  26   2.343  -7.296   1.846
  212    HD2  HIS  26           HD2      HIS  26   1.681  -3.552   0.318
  213    HE1  HIS  26           HE1      HIS  26   0.329  -6.437   2.969
  214    H    SER  27           H        SER  27   5.933  -4.447  -0.548
  215    HA   SER  27           HA       SER  27   7.936  -4.057  -1.662
  216   1HB   SER  27          2HB       SER  27   8.819  -6.914  -0.846
  217   2HB   SER  27          1HB       SER  27   9.830  -5.635  -1.507
  218    HG   SER  27           HG       SER  27   9.993  -4.927   0.436
  219    H    LYS  28           H        LYS  28   7.049  -7.412  -1.934
  220    HA   LYS  28           HA       LYS  28   6.320  -7.093  -4.776
  221   1HB   LYS  28          1HB       LYS  28   8.629  -7.790  -4.778
  222   2HB   LYS  28          2HB       LYS  28   8.296  -9.181  -3.749
  223   1HG   LYS  28          2HG       LYS  28   8.533  -9.830  -6.134
  224   2HG   LYS  28          1HG       LYS  28   6.913 -10.165  -5.567
  225   1HD   LYS  28          2HD       LYS  28   6.067  -8.097  -6.649
  226   2HD   LYS  28          1HD       LYS  28   7.696  -7.631  -7.096
  227   1HE   LYS  28          2HE       LYS  28   6.338 -10.188  -8.055
  228   2HE   LYS  28          1HE       LYS  28   6.365  -8.690  -8.976
  229   1HZ   LYS  28          1HZ       LYS  28   8.345  -9.216  -9.726
  230   2HZ   LYS  28          2HZ       LYS  28   8.318 -10.665  -8.845
  231   3HZ   LYS  28          3HZ       LYS  28   8.978  -9.264  -8.150
  232    H    GLU  29           H        GLU  29   6.461  -9.131  -2.025
  233    HA   GLU  29           HA       GLU  29   5.317 -11.096  -1.416
  234   1HB   GLU  29          1HB       GLU  29   4.369  -9.123  -0.286
  235   2HB   GLU  29          2HB       GLU  29   3.207  -8.910  -1.575
  236   1HG   GLU  29          2HG       GLU  29   2.365 -11.316  -1.009
  237   2HG   GLU  29          1HG       GLU  29   3.383 -11.202   0.418
  238    H    LYS  30           H        LYS  30   2.937  -9.559  -3.474
  239    HA   LYS  30           HA       LYS  30   2.533 -12.101  -5.011
  240   1HB   LYS  30          1HB       LYS  30   0.335 -10.309  -3.871
  241   2HB   LYS  30          2HB       LYS  30   0.047 -11.528  -5.106
  242   1HG   LYS  30          2HG       LYS  30   1.282 -13.118  -3.313
  243   2HG   LYS  30          1HG       LYS  30   0.781 -11.869  -2.195
  244   1HD   LYS  30          2HD       LYS  30  -0.971 -13.531  -2.183
  245   2HD   LYS  30          1HD       LYS  30  -1.597 -12.126  -3.023
  246   1HE   LYS  30          2HE       LYS  30  -2.126 -14.277  -4.211
  247   2HE   LYS  30          1HE       LYS  30  -1.182 -13.204  -5.223
  248   1HZ   LYS  30          1HZ       LYS  30   0.558 -14.803  -3.709
  249   2HZ   LYS  30          2HZ       LYS  30   0.359 -14.737  -5.392
  250   3HZ   LYS  30          3HZ       LYS  30  -0.596 -15.801  -4.463
  Start of MODEL   19
    1   1H    LYS   1          1H        LYS   1 -13.335   5.243  -7.346
    2   2H    LYS   1          2H        LYS   1 -12.294   4.661  -6.136
    3   3H    LYS   1          3H        LYS   1 -11.905   4.440  -7.777
    4    HA   LYS   1           HA       LYS   1 -10.781   6.342  -7.767
    5   1HB   LYS   1          2HB       LYS   1 -12.066   8.492  -7.303
    6   2HB   LYS   1          1HB       LYS   1 -12.928   7.448  -8.412
    7   1HG   LYS   1          2HG       LYS   1 -14.408   6.639  -6.620
    8   2HG   LYS   1          1HG       LYS   1 -13.504   7.506  -5.400
    9   1HD   LYS   1          2HD       LYS   1 -14.110   9.665  -6.523
   10   2HD   LYS   1          1HD       LYS   1 -15.077   8.767  -7.682
   11   1HE   LYS   1          2HE       LYS   1 -16.486   7.885  -5.846
   12   2HE   LYS   1          1HE       LYS   1 -15.498   8.724  -4.658
   13   1HZ   LYS   1          1HZ       LYS   1 -17.677   9.690  -6.071
   14   2HZ   LYS   1          2HZ       LYS   1 -16.320  10.561  -6.605
   15   3HZ   LYS   1          3HZ       LYS   1 -16.701  10.513  -4.952
   16    H    THR   2           H        THR   2 -10.313   4.672  -5.875
   17    HA   THR   2           HA       THR   2  -9.994   6.255  -3.362
   18    HB   THR   2           HB       THR   2 -10.217   3.207  -3.535
   19    HG1  THR   2           HG1      THR   2 -12.421   4.479  -2.704
   20   1HG2  THR   2          1HG2      THR   2  -9.450   4.257  -1.302
   21   2HG2  THR   2          2HG2      THR   2 -11.012   3.471  -1.194
   22   3HG2  THR   2          3HG2      THR   2 -10.919   5.220  -1.322
   23    H    TYR   3           H        TYR   3  -8.265   5.557  -2.020
   24    HA   TYR   3           HA       TYR   3  -5.764   4.800  -3.482
   25   1HB   TYR   3          1HB       TYR   3  -6.232   6.792  -1.217
   26   2HB   TYR   3          2HB       TYR   3  -4.624   6.219  -1.647
   27    HD1  TYR   3           HD1      TYR   3  -7.643   7.733  -3.366
   28    HD2  TYR   3           HD2      TYR   3  -3.394   7.524  -3.100
   29    HE1  TYR   3           HE1      TYR   3  -7.444   9.453  -5.093
   30    HE2  TYR   3           HE2      TYR   3  -3.202   9.247  -4.825
   31    HH   TYR   3           HH       TYR   3  -6.077  10.638  -6.375
   32    H    GLN   4           H        GLN   4  -6.547   2.706  -2.967
   33    HA   GLN   4           HA       GLN   4  -5.958   1.859  -0.166
   34   1HB   GLN   4          1HB       GLN   4  -8.437   1.831  -0.911
   35   2HB   GLN   4          2HB       GLN   4  -7.992   0.560  -2.040
   36   1HG   GLN   4          2HG       GLN   4  -7.411   0.320   0.922
   37   2HG   GLN   4          1HG       GLN   4  -8.965  -0.149   0.265
   38   1HE2  GLN   4          2HE2      GLN   4  -5.951  -1.295   1.069
   39   2HE2  GLN   4          1HE2      GLN   4  -5.935  -2.699   0.116
   40    H    CYS   5           H        CYS   5  -4.779   0.080   0.062
   41    HA   CYS   5           HA       CYS   5  -2.807  -0.618  -1.854
   42   1HB   CYS   5          1HB       CYS   5  -2.477  -0.690   0.565
   43   2HB   CYS   5          2HB       CYS   5  -3.692  -1.961   0.709
   44    H    GLN   6           H        GLN   6  -2.301  -2.810  -2.619
   45    HA   GLN   6           HA       GLN   6  -4.728  -4.455  -3.267
   46   1HB   GLN   6          1HB       GLN   6  -2.397  -3.685  -5.093
   47   2HB   GLN   6          2HB       GLN   6  -3.602  -4.882  -5.517
   48   1HG   GLN   6          2HG       GLN   6  -4.222  -1.957  -4.926
   49   2HG   GLN   6          1HG       GLN   6  -4.106  -2.659  -6.531
   50   1HE2  GLN   6          2HE2      GLN   6  -5.864  -3.965  -7.283
   51   2HE2  GLN   6          1HE2      GLN   6  -7.314  -4.130  -6.413
   52    H    TYR   7           H        TYR   7  -3.038  -4.792  -1.114
   53    HA   TYR   7           HA       TYR   7  -1.918  -7.480  -1.711
   54   1HB   TYR   7          1HB       TYR   7  -0.527  -5.232  -0.256
   55   2HB   TYR   7          2HB       TYR   7   0.068  -6.889  -0.245
   56    HD1  TYR   7           HD1      TYR   7   0.404  -8.002  -2.598
   57    HD2  TYR   7           HD2      TYR   7   0.129  -3.786  -2.031
   58    HE1  TYR   7           HE1      TYR   7   1.476  -7.641  -4.765
   59    HE2  TYR   7           HE2      TYR   7   1.199  -3.433  -4.205
   60    HH   TYR   7           HH       TYR   7   2.055  -4.362  -6.011
   61    H    CYS   8           H        CYS   8  -2.703  -5.195   0.882
   62    HA   CYS   8           HA       CYS   8  -3.423  -7.524   2.622
   63   1HB   CYS   8          1HB       CYS   8  -3.109  -6.002   4.503
   64   2HB   CYS   8          2HB       CYS   8  -1.669  -6.136   3.532
   65    H    GLU   9           H        GLU   9  -4.421  -4.164   2.376
   66    HA   GLU   9           HA       GLU   9  -6.845  -3.822   1.523
   67   1HB   GLU   9          1HB       GLU   9  -8.586  -4.462   3.175
   68   2HB   GLU   9          2HB       GLU   9  -7.822  -5.879   2.540
   69   1HG   GLU   9          2HG       GLU   9  -6.328  -5.843   4.714
   70   2HG   GLU   9          1HG       GLU   9  -7.384  -4.579   5.290
   71    H    LEU  10           H        LEU  10  -4.726  -2.340   2.551
   72    HA   LEU  10           HA       LEU  10  -5.856  -0.762   4.831
   73   1HB   LEU  10          1HB       LEU  10  -3.508  -1.548   5.012
   74   2HB   LEU  10          2HB       LEU  10  -3.100  -0.712   3.512
   75    HG   LEU  10           HG       LEU  10  -4.196   0.807   5.927
   76   1HD1  LEU  10          1HD1      LEU  10  -2.138  -0.465   6.615
   77   2HD1  LEU  10          2HD1      LEU  10  -1.831   1.262   6.545
   78   3HD1  LEU  10          3HD1      LEU  10  -1.275   0.224   5.248
   79   1HD2  LEU  10          1HD2      LEU  10  -2.935   2.698   4.900
   80   2HD2  LEU  10          2HD2      LEU  10  -4.078   2.100   3.737
   81   3HD2  LEU  10          3HD2      LEU  10  -2.389   1.662   3.598
   82    H    ARG  11           H        ARG  11  -6.754   1.197   4.433
   83    HA   ARG  11           HA       ARG  11  -6.313   2.442   1.741
   84   1HB   ARG  11          1HB       ARG  11  -8.624   3.026   1.588
   85   2HB   ARG  11          2HB       ARG  11  -8.644   1.372   2.159
   86   1HG   ARG  11          2HG       ARG  11  -8.966   2.139   4.492
   87   2HG   ARG  11          1HG       ARG  11  -9.003   3.807   3.940
   88   1HD   ARG  11          2HD       ARG  11 -10.925   3.067   2.347
   89   2HD   ARG  11          1HD       ARG  11 -11.001   1.619   3.343
   90    HE   ARG  11           HE       ARG  11 -11.433   3.100   5.305
   91   1HH1  ARG  11          1HH2      ARG  11 -10.857   5.171   2.779
   92   2HH1  ARG  11          2HH2      ARG  11 -12.315   6.088   2.937
   93   1HH2  ARG  11          1HH1      ARG  11 -13.715   3.880   5.258
   94   2HH2  ARG  11          2HH1      ARG  11 -13.960   5.347   4.372
   95    H    SER  12           H        SER  12  -6.250   4.662   1.645
   96    HA   SER  12           HA       SER  12  -6.051   6.111   4.252
   97   1HB   SER  12          2HB       SER  12  -4.134   7.397   3.233
   98   2HB   SER  12          1HB       SER  12  -3.794   5.677   3.445
   99    HG   SER  12           HG       SER  12  -4.844   5.697   1.125
  100    H    ALA  13           H        ALA  13  -6.158   6.685   0.809
  101    HA   ALA  13           HA       ALA  13  -8.098   7.811  -0.275
  102   1HB   ALA  13          1HB       ALA  13  -7.754   9.888   1.960
  103   2HB   ALA  13          2HB       ALA  13  -9.103   8.763   1.829
  104   3HB   ALA  13          3HB       ALA  13  -8.871  10.002   0.615
  105    H    ASP  14           H        ASP  14  -5.044   8.664   0.917
  106    HA   ASP  14           HA       ASP  14  -4.524  10.417  -1.442
  107   1HB   ASP  14          1HB       ASP  14  -3.494  10.801   1.405
  108   2HB   ASP  14          2HB       ASP  14  -3.059  11.806   0.032
  109    H    SER  15           H        SER  15  -2.039  10.777  -1.489
  110    HA   SER  15           HA       SER  15  -0.723   8.088  -1.509
  111   1HB   SER  15          2HB       SER  15  -1.130   9.200  -3.768
  112   2HB   SER  15          1HB       SER  15  -0.085  10.533  -3.248
  113    HG   SER  15           HG       SER  15   1.550   9.309  -3.642
  114    H    SER  16           H        SER  16   1.708   8.449  -1.533
  115    HA   SER  16           HA       SER  16   3.731   9.427  -0.708
  116   1HB   SER  16          2HB       SER  16   2.022  10.909   1.419
  117   2HB   SER  16          1HB       SER  16   3.754  11.074   1.152
  118    HG   SER  16           HG       SER  16   3.307  12.432  -0.340
  119    H    ASN  17           H        ASN  17   1.137   8.767   1.544
  120    HA   ASN  17           HA       ASN  17   2.814   7.218   3.369
  121   1HB   ASN  17          1HB       ASN  17   0.643   6.867   4.595
  122   2HB   ASN  17          2HB       ASN  17   0.887   8.566   4.214
  123   1HD2  ASN  17          2HD2      ASN  17  -1.199   5.873   3.770
  124   2HD2  ASN  17          1HD2      ASN  17  -2.263   6.573   2.656
  125    H    LEU  18           H        LEU  18   0.095   6.516   1.200
  126    HA   LEU  18           HA       LEU  18   0.160   3.702   1.520
  127   1HB   LEU  18          1HB       LEU  18  -1.757   5.054   0.521
  128   2HB   LEU  18          2HB       LEU  18  -0.761   5.368  -0.899
  129    HG   LEU  18           HG       LEU  18  -0.696   2.885  -1.342
  130   1HD1  LEU  18          1HD1      LEU  18  -1.128   2.073   0.997
  131   2HD1  LEU  18          2HD1      LEU  18  -2.306   1.427  -0.124
  132   3HD1  LEU  18          3HD1      LEU  18  -2.741   2.758   0.932
  133   1HD2  LEU  18          1HD2      LEU  18  -3.470   4.109  -1.107
  134   2HD2  LEU  18          2HD2      LEU  18  -3.056   2.733  -2.119
  135   3HD2  LEU  18          3HD2      LEU  18  -2.377   4.314  -2.465
  136    H    LYS  19           H        LYS  19   1.749   5.798  -0.814
  137    HA   LYS  19           HA       LYS  19   2.898   3.850  -2.498
  138   1HB   LYS  19          1HB       LYS  19   4.082   6.496  -1.494
  139   2HB   LYS  19          2HB       LYS  19   4.744   5.596  -2.837
  140   1HG   LYS  19          2HG       LYS  19   1.858   6.592  -2.688
  141   2HG   LYS  19          1HG       LYS  19   3.137   7.509  -3.444
  142   1HD   LYS  19          2HD       LYS  19   2.758   4.669  -4.416
  143   2HD   LYS  19          1HD       LYS  19   1.499   5.817  -4.821
  144   1HE   LYS  19          2HE       LYS  19   3.154   5.747  -6.612
  145   2HE   LYS  19          1HE       LYS  19   3.234   7.315  -5.834
  146   1HZ   LYS  19          1HZ       LYS  19   5.347   6.969  -5.405
  147   2HZ   LYS  19          2HZ       LYS  19   5.269   5.474  -6.206
  148   3HZ   LYS  19          3HZ       LYS  19   4.995   5.552  -4.536
  149    H    THR  20           H        THR  20   4.397   5.403   0.308
  150    HA   THR  20           HA       THR  20   6.652   3.828   0.647
  151    HB   THR  20           HB       THR  20   4.859   5.110   2.795
  152    HG1  THR  20           HG1      THR  20   5.602   6.676   1.587
  153   1HG2  THR  20          1HG2      THR  20   7.850   4.396   2.869
  154   2HG2  THR  20          2HG2      THR  20   6.633   3.495   3.759
  155   3HG2  THR  20          3HG2      THR  20   6.937   5.179   4.148
  156    H    HIS  21           H        HIS  21   3.520   3.324   2.274
  157    HA   HIS  21           HA       HIS  21   3.886   1.015   3.661
  158   1HB   HIS  21          1HB       HIS  21   1.756   2.179   3.683
  159   2HB   HIS  21          2HB       HIS  21   1.499   1.924   1.975
  160    HD1  HIS  21           HD1      HIS  21   1.471  -0.028   5.156
  161    HD2  HIS  21           HD2      HIS  21   0.424  -0.483   1.236
  162    HE1  HIS  21           HE1      HIS  21   0.206  -2.153   5.013
  163    H    ILE  22           H        ILE  22   2.477   0.818   0.417
  164    HA   ILE  22           HA       ILE  22   2.781  -1.875  -0.077
  165    HB   ILE  22           HB       ILE  22   2.995   0.448  -2.058
  166   1HG1  ILE  22          2HG1      ILE  22   0.573  -1.246  -1.278
  167   2HG1  ILE  22          1HG1      ILE  22   0.885   0.363  -0.662
  168   1HG2  ILE  22          1HG2      ILE  22   3.851  -1.669  -3.062
  169   2HG2  ILE  22          2HG2      ILE  22   2.322  -1.247  -3.791
  170   3HG2  ILE  22          3HG2      ILE  22   2.391  -2.501  -2.563
  171   1HD1  ILE  22          1HD       ILE  22   0.441  -0.305  -3.604
  172   2HD1  ILE  22          2HD       ILE  22   0.771   1.297  -2.963
  173   3HD1  ILE  22          3HD       ILE  22  -0.712   0.468  -2.537
  174    H    LYS  23           H        LYS  23   4.965   0.591  -1.311
  175    HA   LYS  23           HA       LYS  23   6.925  -0.824  -2.464
  176   1HB   LYS  23          1HB       LYS  23   6.812   1.657  -2.302
  177   2HB   LYS  23          2HB       LYS  23   7.377   1.582  -0.647
  178   1HG   LYS  23          2HG       LYS  23   9.261   2.110  -2.140
  179   2HG   LYS  23          1HG       LYS  23   9.524   0.531  -1.430
  180   1HD   LYS  23          2HD       LYS  23   8.657  -0.549  -3.520
  181   2HD   LYS  23          1HD       LYS  23   8.361   1.033  -4.217
  182   1HE   LYS  23          2HE       LYS  23  10.808   1.513  -4.071
  183   2HE   LYS  23          1HE       LYS  23  11.072  -0.083  -3.376
  184   1HZ   LYS  23          1HZ       LYS  23   9.551  -0.367  -5.708
  185   2HZ   LYS  23          2HZ       LYS  23  11.123  -0.922  -5.396
  186   3HZ   LYS  23          3HZ       LYS  23  10.884   0.620  -6.064
  187    H    THR  24           H        THR  24   7.109  -0.124   1.051
  188    HA   THR  24           HA       THR  24   9.273  -2.169   1.142
  189    HB   THR  24           HB       THR  24   9.751   0.219   1.925
  190    HG1  THR  24           HG1      THR  24  10.463  -2.120   2.821
  191   1HG2  THR  24          1HG2      THR  24   8.142  -0.702   4.383
  192   2HG2  THR  24          2HG2      THR  24   7.601   0.550   3.277
  193   3HG2  THR  24          3HG2      THR  24   9.053   0.785   4.233
  194    H    LYS  25           H        LYS  25   6.089  -2.397   1.763
  195    HA   LYS  25           HA       LYS  25   6.505  -4.218   4.112
  196   1HB   LYS  25          1HB       LYS  25   4.001  -2.747   3.207
  197   2HB   LYS  25          2HB       LYS  25   4.034  -3.961   4.475
  198   1HG   LYS  25          2HG       LYS  25   5.698  -2.613   5.736
  199   2HG   LYS  25          1HG       LYS  25   5.698  -1.396   4.477
  200   1HD   LYS  25          2HD       LYS  25   4.277  -0.672   6.334
  201   2HD   LYS  25          1HD       LYS  25   3.305  -0.945   4.909
  202   1HE   LYS  25          2HE       LYS  25   2.588  -3.162   5.798
  203   2HE   LYS  25          1HE       LYS  25   3.656  -2.962   7.182
  204   1HZ   LYS  25          1HZ       LYS  25   1.033  -2.107   6.872
  205   2HZ   LYS  25          2HZ       LYS  25   1.996  -0.713   6.984
  206   3HZ   LYS  25          3HZ       LYS  25   2.060  -1.894   8.205
  207    H    HIS  26           H        HIS  26   5.367  -4.015   0.833
  208    HA   HIS  26           HA       HIS  26   4.538  -6.884   0.951
  209   1HB   HIS  26          1HB       HIS  26   3.613  -4.648  -0.876
  210   2HB   HIS  26          2HB       HIS  26   3.128  -6.328  -1.037
  211    HD1  HIS  26           HD1      HIS  26   2.485  -7.041   1.804
  212    HD2  HIS  26           HD2      HIS  26   1.413  -3.416   0.237
  213    HE1  HIS  26           HE1      HIS  26   0.593  -6.230   3.168
  214    H    SER  27           H        SER  27   6.214  -4.483  -0.976
  215    HA   SER  27           HA       SER  27   7.217  -6.577  -2.821
  216   1HB   SER  27          2HB       SER  27   6.443  -4.425  -3.778
  217   2HB   SER  27          1HB       SER  27   7.664  -3.553  -2.841
  218    HG   SER  27           HG       SER  27   9.036  -4.108  -4.303
  219    H    LYS  28           H        LYS  28   8.721  -3.995  -0.884
  220    HA   LYS  28           HA       LYS  28  11.205  -5.632  -0.659
  221   1HB   LYS  28          1HB       LYS  28  11.291  -3.362  -1.808
  222   2HB   LYS  28          2HB       LYS  28  10.818  -2.662  -0.264
  223   1HG   LYS  28          2HG       LYS  28  12.883  -3.697   0.771
  224   2HG   LYS  28          1HG       LYS  28  13.324  -4.302  -0.807
  225   1HD   LYS  28          2HD       LYS  28  14.601  -2.315  -0.583
  226   2HD   LYS  28          1HD       LYS  28  13.263  -1.827  -1.596
  227   1HE   LYS  28          2HE       LYS  28  13.307  -1.429   1.427
  228   2HE   LYS  28          1HE       LYS  28  13.822  -0.205   0.282
  229   1HZ   LYS  28          1HZ       LYS  28  11.298  -1.058  -0.514
  230   2HZ   LYS  28          2HZ       LYS  28  11.757   0.442   0.115
  231   3HZ   LYS  28          3HZ       LYS  28  11.256  -0.792   1.171
  232    H    GLU  29           H        GLU  29   9.881  -6.748   1.014
  233    HA   GLU  29           HA       GLU  29   8.982  -5.668   3.438
  234   1HB   GLU  29          1HB       GLU  29   8.654  -8.033   2.690
  235   2HB   GLU  29          2HB       GLU  29  10.340  -8.370   3.027
  236   1HG   GLU  29          2HG       GLU  29   9.970  -7.755   5.444
  237   2HG   GLU  29          1HG       GLU  29   8.285  -7.425   5.089
  238    H    LYS  30           H        LYS  30  10.321  -4.053   4.088
  239    HA   LYS  30           HA       LYS  30  12.410  -3.023   4.705
  240   1HB   LYS  30          1HB       LYS  30  11.359  -4.700   7.015
  241   2HB   LYS  30          2HB       LYS  30  12.453  -3.332   7.191
  242   1HG   LYS  30          2HG       LYS  30  10.795  -1.811   6.230
  243   2HG   LYS  30          1HG       LYS  30   9.716  -3.149   5.879
  244   1HD   LYS  30          2HD       LYS  30   9.507  -3.653   8.286
  245   2HD   LYS  30          1HD       LYS  30  10.637  -2.370   8.682
  246   1HE   LYS  30          2HE       LYS  30   8.282  -1.604   8.977
  247   2HE   LYS  30          1HE       LYS  30   9.062  -0.691   7.694
  248   1HZ   LYS  30          1HZ       LYS  30   7.909  -2.996   6.590
  249   2HZ   LYS  30          2HZ       LYS  30   7.512  -1.370   6.310
  250   3HZ   LYS  30          3HZ       LYS  30   6.751  -2.229   7.561
  Start of MODEL   20
    1   1H    LYS   1          1H        LYS   1 -10.325  12.349  -0.947
    2   2H    LYS   1          2H        LYS   1 -11.978  12.567  -1.264
    3   3H    LYS   1          3H        LYS   1 -10.893  12.319  -2.546
    4    HA   LYS   1           HA       LYS   1 -12.334  10.419  -1.084
    5   1HB   LYS   1          2HB       LYS   1 -10.118  10.041  -3.128
    6   2HB   LYS   1          1HB       LYS   1 -11.301   8.823  -2.700
    7   1HG   LYS   1          2HG       LYS   1 -13.110  10.392  -3.554
    8   2HG   LYS   1          1HG       LYS   1 -11.835  11.435  -4.159
    9   1HD   LYS   1          2HD       LYS   1 -12.239   8.507  -4.936
   10   2HD   LYS   1          1HD       LYS   1 -12.653   9.884  -5.930
   11   1HE   LYS   1          2HE       LYS   1 -10.268  10.551  -6.060
   12   2HE   LYS   1          1HE       LYS   1  -9.814   9.198  -5.031
   13   1HZ   LYS   1          1HZ       LYS   1 -10.182   9.207  -7.778
   14   2HZ   LYS   1          2HZ       LYS   1 -11.391   8.219  -7.104
   15   3HZ   LYS   1          3HZ       LYS   1  -9.756   7.908  -6.769
   16    H    THR   2           H        THR   2 -11.251   8.237  -0.773
   17    HA   THR   2           HA       THR   2  -8.863   8.488   1.019
   18    HB   THR   2           HB       THR   2 -11.082   6.367   1.261
   19    HG1  THR   2           HG1      THR   2 -12.186   7.950   2.101
   20   1HG2  THR   2          1HG2      THR   2  -8.846   5.979   2.494
   21   2HG2  THR   2          2HG2      THR   2 -10.212   6.188   3.570
   22   3HG2  THR   2          3HG2      THR   2  -9.095   7.514   3.310
   23    H    TYR   3           H        TYR   3  -7.658   6.342   0.991
   24    HA   TYR   3           HA       TYR   3  -7.887   5.035  -1.701
   25   1HB   TYR   3          1HB       TYR   3  -5.551   6.317  -0.365
   26   2HB   TYR   3          2HB       TYR   3  -5.201   4.750  -1.060
   27    HD1  TYR   3           HD1      TYR   3  -7.270   7.760  -2.063
   28    HD2  TYR   3           HD2      TYR   3  -4.415   4.835  -3.261
   29    HE1  TYR   3           HE1      TYR   3  -7.205   8.741  -4.290
   30    HE2  TYR   3           HE2      TYR   3  -4.361   5.823  -5.499
   31    HH   TYR   3           HH       TYR   3  -6.480   8.518  -6.381
   32    H    GLN   4           H        GLN   4  -6.983   3.035  -1.926
   33    HA   GLN   4           HA       GLN   4  -7.191   1.259   0.469
   34   1HB   GLN   4          1HB       GLN   4  -9.114   1.240  -1.289
   35   2HB   GLN   4          2HB       GLN   4  -7.943   0.581  -2.424
   36   1HG   GLN   4          2HG       GLN   4  -9.300  -1.203  -1.430
   37   2HG   GLN   4          1HG       GLN   4  -7.635  -1.404  -0.938
   38   1HE2  GLN   4          2HE2      GLN   4  -7.337  -1.645   1.276
   39   2HE2  GLN   4          1HE2      GLN   4  -8.451  -1.177   2.467
   40    H    CYS   5           H        CYS   5  -6.047  -0.969  -0.302
   41    HA   CYS   5           HA       CYS   5  -3.366  -0.167  -1.358
   42   1HB   CYS   5          1HB       CYS   5  -3.392  -1.034   0.912
   43   2HB   CYS   5          2HB       CYS   5  -4.225  -2.500   0.389
   44    H    GLN   6           H        GLN   6  -2.221  -1.978  -2.521
   45    HA   GLN   6           HA       GLN   6  -4.122  -3.370  -4.380
   46   1HB   GLN   6          1HB       GLN   6  -2.548  -1.365  -5.165
   47   2HB   GLN   6          2HB       GLN   6  -1.282  -2.567  -5.104
   48   1HG   GLN   6          2HG       GLN   6  -2.051  -2.596  -7.369
   49   2HG   GLN   6          1HG       GLN   6  -2.785  -4.017  -6.651
   50   1HE2  GLN   6          2HE2      GLN   6  -3.451  -1.220  -8.425
   51   2HE2  GLN   6          1HE2      GLN   6  -5.134  -1.179  -8.217
   52    H    TYR   7           H        TYR   7  -2.898  -4.215  -1.860
   53    HA   TYR   7           HA       TYR   7  -1.818  -6.817  -2.779
   54   1HB   TYR   7          1HB       TYR   7  -0.520  -4.900  -0.839
   55   2HB   TYR   7          2HB       TYR   7  -0.126  -6.619  -0.828
   56    HD1  TYR   7           HD1      TYR   7   0.557  -7.655  -3.128
   57    HD2  TYR   7           HD2      TYR   7   0.668  -3.473  -2.332
   58    HE1  TYR   7           HE1      TYR   7   2.112  -7.342  -4.988
   59    HE2  TYR   7           HE2      TYR   7   2.224  -3.168  -4.201
   60    HH   TYR   7           HH       TYR   7   3.193  -5.890  -6.255
   61    H    CYS   8           H        CYS   8  -2.797  -4.964   0.179
   62    HA   CYS   8           HA       CYS   8  -4.214  -7.395   1.097
   63   1HB   CYS   8          1HB       CYS   8  -3.680  -6.598   3.364
   64   2HB   CYS   8          2HB       CYS   8  -2.211  -6.781   2.454
   65    H    GLU   9           H        GLU   9  -4.871  -5.029   3.046
   66    HA   GLU   9           HA       GLU   9  -7.056  -3.725   1.489
   67   1HB   GLU   9          1HB       GLU   9  -8.587  -4.119   3.526
   68   2HB   GLU   9          2HB       GLU   9  -8.218  -5.540   2.586
   69   1HG   GLU   9          2HG       GLU   9  -8.056  -5.986   5.028
   70   2HG   GLU   9          1HG       GLU   9  -6.522  -6.257   4.232
   71    H    LEU  10           H        LEU  10  -4.405  -2.909   2.594
   72    HA   LEU  10           HA       LEU  10  -4.923  -1.178   4.850
   73   1HB   LEU  10          1HB       LEU  10  -2.668  -1.925   4.445
   74   2HB   LEU  10          2HB       LEU  10  -2.675  -1.342   2.786
   75    HG   LEU  10           HG       LEU  10  -1.321  -0.082   4.390
   76   1HD1  LEU  10          1HD1      LEU  10  -1.782   2.186   3.620
   77   2HD1  LEU  10          2HD1      LEU  10  -3.215   1.603   2.806
   78   3HD1  LEU  10          3HD1      LEU  10  -1.668   0.966   2.371
   79   1HD2  LEU  10          1HD2      LEU  10  -3.681   0.759   5.937
   80   2HD2  LEU  10          2HD2      LEU  10  -2.126   1.559   5.933
   81   3HD2  LEU  10          3HD2      LEU  10  -2.261  -0.122   6.395
   82    H    ARG  11           H        ARG  11  -4.671   1.072   4.714
   83    HA   ARG  11           HA       ARG  11  -5.865   2.393   2.329
   84   1HB   ARG  11          1HB       ARG  11  -7.302   3.755   3.928
   85   2HB   ARG  11          2HB       ARG  11  -7.759   2.083   3.792
   86   1HG   ARG  11          2HG       ARG  11  -6.006   3.110   6.067
   87   2HG   ARG  11          1HG       ARG  11  -7.749   3.095   6.166
   88   1HD   ARG  11          2HD       ARG  11  -5.893   0.676   6.062
   89   2HD   ARG  11          1HD       ARG  11  -7.065   1.113   7.277
   90    HE   ARG  11           HE       ARG  11  -7.742   0.022   4.591
   91   1HH1  ARG  11          1HH2      ARG  11  -9.614   1.910   6.219
   92   2HH1  ARG  11          2HH2      ARG  11 -10.710   0.743   6.881
   93   1HH2  ARG  11          2HH1      ARG  11  -8.623  -1.961   6.112
   94   2HH2  ARG  11          1HH1      ARG  11 -10.136  -1.493   6.808
   95    H    SER  12           H        SER  12  -5.264   4.500   2.042
   96    HA   SER  12           HA       SER  12  -3.052   5.501   3.787
   97   1HB   SER  12          2HB       SER  12  -3.191   5.431   0.765
   98   2HB   SER  12          1HB       SER  12  -1.914   6.260   1.668
   99    HG   SER  12           HG       SER  12  -1.114   4.392   2.181
  100    H    ALA  13           H        ALA  13  -5.654   6.363   1.729
  101    HA   ALA  13           HA       ALA  13  -7.156   8.226   2.236
  102   1HB   ALA  13          1HB       ALA  13  -6.228  10.482   2.734
  103   2HB   ALA  13          2HB       ALA  13  -4.585   9.887   2.628
  104   3HB   ALA  13          3HB       ALA  13  -5.628   9.362   3.944
  105    H    ASP  14           H        ASP  14  -3.994   8.717   0.824
  106    HA   ASP  14           HA       ASP  14  -5.145   9.121  -1.891
  107   1HB   ASP  14          1HB       ASP  14  -4.588  11.363  -0.767
  108   2HB   ASP  14          2HB       ASP  14  -2.917  10.834  -0.689
  109    H    SER  15           H        SER  15  -2.846   9.306  -3.332
  110    HA   SER  15           HA       SER  15  -1.427   6.750  -2.708
  111   1HB   SER  15          2HB       SER  15  -2.492   6.879  -4.979
  112   2HB   SER  15          1HB       SER  15  -1.591   8.359  -5.329
  113    HG   SER  15           HG       SER  15   0.133   6.580  -4.397
  114    H    SER  16           H        SER  16  -0.872   8.660  -1.114
  115    HA   SER  16           HA       SER  16   1.804   9.760  -1.862
  116   1HB   SER  16          2HB       SER  16   0.021  11.559  -1.536
  117   2HB   SER  16          1HB       SER  16  -0.188  10.982   0.130
  118    HG   SER  16           HG       SER  16   1.785  12.480  -0.927
  119    H    ASN  17           H        ASN  17  -0.319   8.339   0.535
  120    HA   ASN  17           HA       ASN  17   2.034   7.656   2.263
  121   1HB   ASN  17          1HB       ASN  17  -0.919   7.439   3.012
  122   2HB   ASN  17          2HB       ASN  17   0.470   7.405   4.087
  123   1HD2  ASN  17          2HD2      ASN  17  -1.983   9.339   3.452
  124   2HD2  ASN  17          1HD2      ASN  17  -1.253  10.873   3.541
  125    H    LEU  18           H        LEU  18   0.200   6.417  -0.166
  126    HA   LEU  18           HA       LEU  18  -0.018   3.669   0.858
  127   1HB   LEU  18          1HB       LEU  18  -1.772   4.602  -0.714
  128   2HB   LEU  18          2HB       LEU  18  -0.525   4.837  -1.931
  129    HG   LEU  18           HG       LEU  18  -0.135   2.399  -2.052
  130   1HD1  LEU  18          1HD1      LEU  18  -0.705   1.782   0.306
  131   2HD1  LEU  18          2HD1      LEU  18  -1.604   0.817  -0.835
  132   3HD1  LEU  18          3HD1      LEU  18  -2.395   2.148  -0.006
  133   1HD2  LEU  18          1HD2      LEU  18  -2.320   1.773  -3.056
  134   2HD2  LEU  18          2HD2      LEU  18  -1.869   3.408  -3.504
  135   3HD2  LEU  18          3HD2      LEU  18  -3.078   3.146  -2.260
  136    H    LYS  19           H        LYS  19   1.744   5.359  -1.731
  137    HA   LYS  19           HA       LYS  19   3.352   3.333  -2.697
  138   1HB   LYS  19          1HB       LYS  19   5.062   5.111  -3.157
  139   2HB   LYS  19          2HB       LYS  19   3.443   5.611  -3.584
  140   1HG   LYS  19          2HG       LYS  19   3.307   6.865  -1.376
  141   2HG   LYS  19          1HG       LYS  19   4.999   6.456  -1.105
  142   1HD   LYS  19          2HD       LYS  19   5.599   7.565  -3.281
  143   2HD   LYS  19          1HD       LYS  19   3.920   8.032  -3.479
  144   1HE   LYS  19          2HE       LYS  19   4.039   9.381  -1.394
  145   2HE   LYS  19          1HE       LYS  19   5.717   8.908  -1.182
  146   1HZ   LYS  19          1HZ       LYS  19   5.375   9.892  -3.773
  147   2HZ   LYS  19          2HZ       LYS  19   6.282  10.552  -2.498
  148   3HZ   LYS  19          3HZ       LYS  19   4.647  10.980  -2.693
  149    H    THR  20           H        THR  20   3.966   5.245   0.218
  150    HA   THR  20           HA       THR  20   6.380   3.950   1.043
  151    HB   THR  20           HB       THR  20   5.717   4.900   3.371
  152    HG1  THR  20           HG1      THR  20   3.656   5.166   3.591
  153   1HG2  THR  20          1HG2      THR  20   5.609   7.275   2.693
  154   2HG2  THR  20          2HG2      THR  20   5.099   6.838   1.072
  155   3HG2  THR  20          3HG2      THR  20   6.734   6.476   1.606
  156    H    HIS  21           H        HIS  21   3.065   3.386   2.293
  157    HA   HIS  21           HA       HIS  21   3.500   1.191   3.894
  158   1HB   HIS  21          1HB       HIS  21   1.242   2.023   3.718
  159   2HB   HIS  21          2HB       HIS  21   1.158   1.782   1.989
  160    HD1  HIS  21           HD1      HIS  21   1.547  -0.456   5.020
  161    HD2  HIS  21           HD2      HIS  21  -0.038  -0.522   1.255
  162    HE1  HIS  21           HE1      HIS  21   0.415  -2.640   4.780
  163    H    ILE  22           H        ILE  22   2.915   1.038   0.410
  164    HA   ILE  22           HA       ILE  22   3.253  -1.720  -0.021
  165    HB   ILE  22           HB       ILE  22   3.996   0.590  -1.887
  166   1HG1  ILE  22          2HG1      ILE  22   1.424  -1.049  -1.580
  167   2HG1  ILE  22          1HG1      ILE  22   1.611   0.608  -1.062
  168   1HG2  ILE  22          1HG2      ILE  22   3.721  -1.117  -3.706
  169   2HG2  ILE  22          2HG2      ILE  22   3.419  -2.350  -2.493
  170   3HG2  ILE  22          3HG2      ILE  22   5.001  -1.591  -2.618
  171   1HD1  ILE  22          1HD       ILE  22   1.772  -0.341  -3.955
  172   2HD1  ILE  22          2HD       ILE  22   2.016   1.310  -3.421
  173   3HD1  ILE  22          3HD       ILE  22   0.451   0.539  -3.217
  174    H    LYS  23           H        LYS  23   5.816   0.739  -0.494
  175    HA   LYS  23           HA       LYS  23   7.977  -0.893  -1.021
  176   1HB   LYS  23          1HB       LYS  23   7.917   1.605   0.683
  177   2HB   LYS  23          2HB       LYS  23   9.409   0.849   0.162
  178   1HG   LYS  23          2HG       LYS  23   8.606   1.081  -2.243
  179   2HG   LYS  23          1HG       LYS  23   7.252   2.015  -1.643
  180   1HD   LYS  23          2HD       LYS  23  10.182   2.721  -1.177
  181   2HD   LYS  23          1HD       LYS  23   9.175   3.441  -2.415
  182   1HE   LYS  23          2HE       LYS  23   7.660   4.350  -0.676
  183   2HE   LYS  23          1HE       LYS  23   8.649   3.621   0.585
  184   1HZ   LYS  23          1HZ       LYS  23   9.003   6.065  -0.684
  185   2HZ   LYS  23          2HZ       LYS  23  10.323   5.081  -1.101
  186   3HZ   LYS  23          3HZ       LYS  23   9.950   5.358   0.533
  187    H    THR  24           H        THR  24   6.726  -0.222   2.182
  188    HA   THR  24           HA       THR  24   8.814  -1.913   3.399
  189    HB   THR  24           HB       THR  24   6.609  -0.279   4.769
  190    HG1  THR  24           HG1      THR  24   8.917   0.292   3.478
  191   1HG2  THR  24          1HG2      THR  24   7.745  -2.045   6.269
  192   2HG2  THR  24          2HG2      THR  24   8.138  -0.402   6.732
  193   3HG2  THR  24          3HG2      THR  24   9.297  -1.351   5.815
  194    H    LYS  25           H        LYS  25   5.359  -2.167   3.163
  195    HA   LYS  25           HA       LYS  25   5.423  -4.732   4.641
  196   1HB   LYS  25          1HB       LYS  25   3.167  -2.903   3.781
  197   2HB   LYS  25          2HB       LYS  25   2.870  -4.462   4.535
  198   1HG   LYS  25          2HG       LYS  25   4.557  -2.274   5.818
  199   2HG   LYS  25          1HG       LYS  25   2.843  -2.480   6.111
  200   1HD   LYS  25          2HD       LYS  25   3.246  -4.799   6.929
  201   2HD   LYS  25          1HD       LYS  25   4.968  -4.613   6.666
  202   1HE   LYS  25          2HE       LYS  25   5.027  -2.750   8.307
  203   2HE   LYS  25          1HE       LYS  25   3.300  -2.926   8.574
  204   1HZ   LYS  25          1HZ       LYS  25   4.498  -5.435   8.845
  205   2HZ   LYS  25          2HZ       LYS  25   3.724  -4.500  10.033
  206   3HZ   LYS  25          3HZ       LYS  25   5.392  -4.326   9.768
  207    H    HIS  26           H        HIS  26   5.511  -3.876   1.376
  208    HA   HIS  26           HA       HIS  26   4.446  -6.581   0.693
  209   1HB   HIS  26          1HB       HIS  26   3.938  -3.975  -0.749
  210   2HB   HIS  26          2HB       HIS  26   3.580  -5.541  -1.453
  211    HD1  HIS  26           HD1      HIS  26   2.331  -7.018   0.791
  212    HD2  HIS  26           HD2      HIS  26   1.558  -3.042   0.278
  213    HE1  HIS  26           HE1      HIS  26   0.200  -6.575   1.963
  214    H    SER  27           H        SER  27   6.450  -4.007  -0.565
  215    HA   SER  27           HA       SER  27   7.732  -4.518  -2.716
  216   1HB   SER  27          2HB       SER  27  10.040  -4.256  -1.552
  217   2HB   SER  27          1HB       SER  27   8.827  -3.047  -1.140
  218    HG   SER  27           HG       SER  27   8.451  -5.146   0.452
  219    H    LYS  28           H        LYS  28   8.840  -6.447  -0.077
  220    HA   LYS  28           HA       LYS  28   9.083  -8.880  -1.787
  221   1HB   LYS  28          1HB       LYS  28  11.298  -7.335  -0.765
  222   2HB   LYS  28          2HB       LYS  28  11.219  -8.780   0.229
  223   1HG   LYS  28          2HG       LYS  28  12.678  -9.240  -1.643
  224   2HG   LYS  28          1HG       LYS  28  11.211 -10.170  -1.877
  225   1HD   LYS  28          2HD       LYS  28  10.346  -8.481  -3.469
  226   2HD   LYS  28          1HD       LYS  28  11.743  -7.458  -3.176
  227   1HE   LYS  28          2HE       LYS  28  13.214  -9.258  -4.102
  228   2HE   LYS  28          1HE       LYS  28  11.789 -10.249  -4.400
  229   1HZ   LYS  28          1HZ       LYS  28  11.331  -7.729  -5.497
  230   2HZ   LYS  28          2HZ       LYS  28  11.515  -9.213  -6.298
  231   3HZ   LYS  28          3HZ       LYS  28  12.873  -8.238  -5.996
  232    H    GLU  29           H        GLU  29   9.230 -10.836  -0.458
  233    HA   GLU  29           HA       GLU  29   7.920 -10.546   2.221
  234   1HB   GLU  29          1HB       GLU  29   7.299 -12.725   0.150
  235   2HB   GLU  29          2HB       GLU  29   6.441 -12.443   1.650
  236   1HG   GLU  29          2HG       GLU  29   6.477 -10.554  -0.751
  237   2HG   GLU  29          1HG       GLU  29   5.156 -11.602  -0.300
  238    H    LYS  30           H        LYS  30  10.376 -10.530   2.273
  239    HA   LYS  30           HA       LYS  30  11.362 -13.297   2.846
  240   1HB   LYS  30          1HB       LYS  30  12.982 -10.879   1.906
  241   2HB   LYS  30          2HB       LYS  30  13.624 -12.493   2.186
  242   1HG   LYS  30          2HG       LYS  30  11.499 -11.813   0.100
  243   2HG   LYS  30          1HG       LYS  30  13.201 -11.994  -0.242
  244   1HD   LYS  30          2HD       LYS  30  13.157 -14.349   0.474
  245   2HD   LYS  30          1HD       LYS  30  11.482 -14.219   0.974
  246   1HE   LYS  30          2HE       LYS  30  11.600 -15.268  -1.235
  247   2HE   LYS  30          1HE       LYS  30  10.828 -13.695  -1.377
  248   1HZ   LYS  30          1HZ       LYS  30  13.593 -13.369  -1.665
  249   2HZ   LYS  30          2HZ       LYS  30  12.366 -13.103  -2.811
  250   3HZ   LYS  30          3HZ       LYS  30  13.095 -14.634  -2.684
  Start of MODEL   21
    1   1H    LYS   1          1H        LYS   1 -12.624   4.550   0.700
    2   2H    LYS   1          2H        LYS   1 -13.529   3.439  -0.212
    3   3H    LYS   1          3H        LYS   1 -14.297   4.414   0.942
    4    HA   LYS   1           HA       LYS   1 -13.858   4.921  -1.770
    5   1HB   LYS   1          2HB       LYS   1 -15.312   6.900  -1.230
    6   2HB   LYS   1          1HB       LYS   1 -15.923   5.427  -0.512
    7   1HG   LYS   1          2HG       LYS   1 -14.710   6.118   1.668
    8   2HG   LYS   1          1HG       LYS   1 -14.428   7.675   0.907
    9   1HD   LYS   1          2HD       LYS   1 -16.908   7.928   0.564
   10   2HD   LYS   1          1HD       LYS   1 -17.156   6.399   1.379
   11   1HE   LYS   1          2HE       LYS   1 -16.100   7.328   3.449
   12   2HE   LYS   1          1HE       LYS   1 -15.910   8.876   2.639
   13   1HZ   LYS   1          1HZ       LYS   1 -18.558   8.028   2.336
   14   2HZ   LYS   1          2HZ       LYS   1 -17.966   9.382   3.175
   15   3HZ   LYS   1          3HZ       LYS   1 -18.139   7.894   3.975
   16    H    THR   2           H        THR   2 -11.395   4.833  -0.678
   17    HA   THR   2           HA       THR   2 -10.236   7.492  -1.335
   18    HB   THR   2           HB       THR   2 -10.538   7.321   1.206
   19    HG1  THR   2           HG1      THR   2  -7.904   7.317   1.100
   20   1HG2  THR   2          1HG2      THR   2  -8.382   5.148   0.974
   21   2HG2  THR   2          2HG2      THR   2 -10.036   4.834   1.469
   22   3HG2  THR   2          3HG2      THR   2  -8.999   5.845   2.460
   23    H    TYR   3           H        TYR   3  -7.709   6.634  -0.639
   24    HA   TYR   3           HA       TYR   3  -6.996   4.967  -2.995
   25   1HB   TYR   3          1HB       TYR   3  -5.132   6.074  -0.827
   26   2HB   TYR   3          2HB       TYR   3  -4.628   5.396  -2.372
   27    HD1  TYR   3           HD1      TYR   3  -6.566   8.221  -0.868
   28    HD2  TYR   3           HD2      TYR   3  -4.427   6.792  -4.265
   29    HE1  TYR   3           HE1      TYR   3  -6.679  10.446  -1.885
   30    HE2  TYR   3           HE2      TYR   3  -4.538   9.012  -5.270
   31    HH   TYR   3           HH       TYR   3  -6.155  11.713  -3.626
   32    H    GLN   4           H        GLN   4  -7.141   2.768  -2.756
   33    HA   GLN   4           HA       GLN   4  -6.657   1.568  -0.054
   34   1HB   GLN   4          1HB       GLN   4  -8.908   1.267  -1.201
   35   2HB   GLN   4          2HB       GLN   4  -8.090   0.333  -2.449
   36   1HG   GLN   4          2HG       GLN   4  -7.379  -1.336  -0.783
   37   2HG   GLN   4          1HG       GLN   4  -8.051  -0.351   0.516
   38   1HE2  GLN   4          2HE2      GLN   4  -8.685  -2.998  -1.394
   39   2HE2  GLN   4          1HE2      GLN   4 -10.380  -3.010  -1.288
   40    H    CYS   5           H        CYS   5  -5.739  -0.743  -0.214
   41    HA   CYS   5           HA       CYS   5  -3.300  -0.659  -1.914
   42   1HB   CYS   5          1HB       CYS   5  -2.990  -0.848   0.479
   43   2HB   CYS   5          2HB       CYS   5  -4.053  -2.259   0.553
   44    H    GLN   6           H        GLN   6  -2.480  -2.742  -2.713
   45    HA   GLN   6           HA       GLN   6  -4.661  -4.518  -3.766
   46   1HB   GLN   6          1HB       GLN   6  -2.061  -3.821  -5.172
   47   2HB   GLN   6          2HB       GLN   6  -3.413  -4.697  -5.855
   48   1HG   GLN   6          2HG       GLN   6  -4.825  -2.672  -5.744
   49   2HG   GLN   6          1HG       GLN   6  -3.515  -1.774  -4.977
   50   1HE2  GLN   6          1HE2      GLN   6  -1.957  -0.859  -6.321
   51   2HE2  GLN   6          2HE2      GLN   6  -1.861  -1.114  -7.998
   52    H    TYR   7           H        TYR   7  -2.921  -4.818  -1.387
   53    HA   TYR   7           HA       TYR   7  -1.769  -7.498  -2.053
   54   1HB   TYR   7          1HB       TYR   7  -0.499  -5.384  -0.313
   55   2HB   TYR   7          2HB       TYR   7   0.161  -6.994  -0.576
   56    HD1  TYR   7           HD1      TYR   7   1.299  -7.521  -2.700
   57    HD2  TYR   7           HD2      TYR   7  -0.518  -3.719  -2.115
   58    HE1  TYR   7           HE1      TYR   7   2.456  -6.654  -4.679
   59    HE2  TYR   7           HE2      TYR   7   0.628  -2.864  -4.098
   60    HH   TYR   7           HH       TYR   7   3.181  -4.432  -5.556
   61    H    CYS   8           H        CYS   8  -2.570  -5.329   0.627
   62    HA   CYS   8           HA       CYS   8  -3.471  -7.672   2.249
   63   1HB   CYS   8          1HB       CYS   8  -3.118  -6.311   4.197
   64   2HB   CYS   8          2HB       CYS   8  -1.666  -6.319   3.242
   65    H    GLU   9           H        GLU   9  -4.258  -4.379   1.456
   66    HA   GLU   9           HA       GLU   9  -6.685  -4.045   0.663
   67   1HB   GLU   9          1HB       GLU   9  -7.762  -5.723   2.191
   68   2HB   GLU   9          2HB       GLU   9  -7.176  -4.845   3.600
   69   1HG   GLU   9          2HG       GLU   9  -8.576  -2.840   2.796
   70   2HG   GLU   9          1HG       GLU   9  -9.175  -3.852   1.495
   71    H    LEU  10           H        LEU  10  -5.308  -3.451   3.875
   72    HA   LEU  10           HA       LEU  10  -6.079  -1.138   4.825
   73   1HB   LEU  10          1HB       LEU  10  -4.029  -2.310   5.565
   74   2HB   LEU  10          2HB       LEU  10  -3.130  -1.626   4.216
   75    HG   LEU  10           HG       LEU  10  -4.570   0.277   6.096
   76   1HD1  LEU  10          1HD1      LEU  10  -1.863  -1.028   6.664
   77   2HD1  LEU  10          2HD1      LEU  10  -3.329  -1.291   7.590
   78   3HD1  LEU  10          3HD1      LEU  10  -2.573   0.289   7.583
   79   1HD2  LEU  10          1HD2      LEU  10  -3.346   1.198   4.070
   80   2HD2  LEU  10          2HD2      LEU  10  -1.879   0.437   4.641
   81   3HD2  LEU  10          3HD2      LEU  10  -2.620   1.729   5.565
   82    H    ARG  11           H        ARG  11  -6.439   0.861   4.378
   83    HA   ARG  11           HA       ARG  11  -5.473   1.995   1.789
   84   1HB   ARG  11          1HB       ARG  11  -7.544   3.377   1.887
   85   2HB   ARG  11          2HB       ARG  11  -7.872   1.663   1.847
   86   1HG   ARG  11          2HG       ARG  11  -7.733   2.176   4.613
   87   2HG   ARG  11          1HG       ARG  11  -8.366   3.682   3.991
   88   1HD   ARG  11          2HD       ARG  11 -10.197   2.091   4.571
   89   2HD   ARG  11          1HD       ARG  11 -10.204   2.437   2.846
   90    HE   ARG  11           HE       ARG  11  -9.063   0.267   2.471
   91   1HH1  ARG  11          1HH1      ARG  11 -11.641  -0.528   3.540
   92   2HH1  ARG  11          2HH1      ARG  11 -11.237  -1.570   4.864
   93   1HH2  ARG  11          1HH2      ARG  11  -7.937  -0.377   5.022
   94   2HH2  ARG  11          2HH2      ARG  11  -9.065  -1.483   5.735
   95    H    SER  12           H        SER  12  -5.444   4.244   1.681
   96    HA   SER  12           HA       SER  12  -4.304   5.636   4.065
   97   1HB   SER  12          2HB       SER  12  -3.344   5.857   1.163
   98   2HB   SER  12          1HB       SER  12  -2.661   6.700   2.556
   99    HG   SER  12           HG       SER  12  -2.904   4.088   3.112
  100    H    ALA  13           H        ALA  13  -4.150   8.076   3.417
  101    HA   ALA  13           HA       ALA  13  -6.886   8.910   2.572
  102   1HB   ALA  13          1HB       ALA  13  -6.127   9.621   4.827
  103   2HB   ALA  13          2HB       ALA  13  -6.365  11.009   3.779
  104   3HB   ALA  13          3HB       ALA  13  -4.737  10.419   4.103
  105    H    ASP  14           H        ASP  14  -3.515   9.305   1.899
  106    HA   ASP  14           HA       ASP  14  -4.128  11.040  -0.467
  107   1HB   ASP  14          1HB       ASP  14  -1.450  10.863   0.956
  108   2HB   ASP  14          2HB       ASP  14  -2.008  12.127  -0.128
  109    H    SER  15           H        SER  15  -1.606  10.791  -1.618
  110    HA   SER  15           HA       SER  15  -1.735   8.023  -2.717
  111   1HB   SER  15          2HB       SER  15  -0.384   9.089  -4.625
  112   2HB   SER  15          1HB       SER  15  -1.948   9.875  -4.375
  113    HG   SER  15           HG       SER  15  -0.883  11.602  -3.945
  114    H    SER  16           H        SER  16   0.662  10.487  -1.816
  115    HA   SER  16           HA       SER  16   3.021   9.063  -1.758
  116   1HB   SER  16          2HB       SER  16   2.858  11.496  -1.183
  117   2HB   SER  16          1HB       SER  16   2.143  11.075   0.381
  118    HG   SER  16           HG       SER  16   4.716  11.023  -0.366
  119    H    ASN  17           H        ASN  17   0.710   9.279   0.863
  120    HA   ASN  17           HA       ASN  17   1.878   7.696   2.837
  121   1HB   ASN  17          1HB       ASN  17  -1.050   7.934   2.041
  122   2HB   ASN  17          2HB       ASN  17  -0.513   7.232   3.564
  123   1HD2  ASN  17          1HD2      ASN  17  -0.858   8.737   5.175
  124   2HD2  ASN  17          2HD2      ASN  17  -0.546  10.400   5.050
  125    H    LEU  18           H        LEU  18  -0.523   6.549   0.510
  126    HA   LEU  18           HA       LEU  18  -0.271   3.796   1.058
  127   1HB   LEU  18          1HB       LEU  18  -2.134   4.818  -0.290
  128   2HB   LEU  18          2HB       LEU  18  -0.999   5.175  -1.586
  129    HG   LEU  18           HG       LEU  18  -0.588   2.712  -1.866
  130   1HD1  LEU  18          1HD1      LEU  18  -2.135   1.118  -0.746
  131   2HD1  LEU  18          2HD1      LEU  18  -2.851   2.426   0.178
  132   3HD1  LEU  18          3HD1      LEU  18  -1.180   1.963   0.450
  133   1HD2  LEU  18          1HD2      LEU  18  -3.513   3.522  -2.010
  134   2HD2  LEU  18          2HD2      LEU  18  -2.752   2.212  -2.900
  135   3HD2  LEU  18          3HD2      LEU  18  -2.301   3.872  -3.236
  136    H    LYS  19           H        LYS  19   1.292   5.628  -1.539
  137    HA   LYS  19           HA       LYS  19   2.798   3.738  -2.842
  138   1HB   LYS  19          1HB       LYS  19   2.833   6.180  -3.358
  139   2HB   LYS  19          2HB       LYS  19   3.753   6.478  -1.900
  140   1HG   LYS  19          2HG       LYS  19   5.670   5.270  -2.734
  141   2HG   LYS  19          1HG       LYS  19   4.763   4.638  -4.091
  142   1HD   LYS  19          2HD       LYS  19   6.192   6.489  -4.841
  143   2HD   LYS  19          1HD       LYS  19   4.509   6.941  -4.998
  144   1HE   LYS  19          2HE       LYS  19   5.805   8.813  -4.051
  145   2HE   LYS  19          1HE       LYS  19   4.660   8.236  -2.858
  146   1HZ   LYS  19          1HZ       LYS  19   7.420   8.431  -2.636
  147   2HZ   LYS  19          2HZ       LYS  19   7.026   6.779  -2.576
  148   3HZ   LYS  19          3HZ       LYS  19   6.307   7.865  -1.483
  149    H    THR  20           H        THR  20   3.842   5.470   0.019
  150    HA   THR  20           HA       THR  20   6.213   4.092   0.627
  151    HB   THR  20           HB       THR  20   4.217   5.447   2.546
  152    HG1  THR  20           HG1      THR  20   4.804   6.826   1.012
  153   1HG2  THR  20          1HG2      THR  20   7.266   5.101   2.719
  154   2HG2  THR  20          2HG2      THR  20   6.142   4.157   3.689
  155   3HG2  THR  20          3HG2      THR  20   6.236   5.897   3.902
  156    H    HIS  21           H        HIS  21   2.996   3.597   2.105
  157    HA   HIS  21           HA       HIS  21   3.376   1.413   3.718
  158   1HB   HIS  21          1HB       HIS  21   1.158   2.345   3.565
  159   2HB   HIS  21          2HB       HIS  21   1.031   2.060   1.845
  160    HD1  HIS  21           HD1      HIS  21   1.143   0.039   5.007
  161    HD2  HIS  21           HD2      HIS  21   0.005  -0.334   1.106
  162    HE1  HIS  21           HE1      HIS  21   0.012  -2.153   4.823
  163    H    ILE  22           H        ILE  22   2.484   1.101   0.334
  164    HA   ILE  22           HA       ILE  22   2.781  -1.622  -0.084
  165    HB   ILE  22           HB       ILE  22   3.523   0.605  -2.043
  166   1HG1  ILE  22          2HG1      ILE  22   1.232   0.973  -1.178
  167   2HG1  ILE  22          1HG1      ILE  22   1.219   0.541  -2.865
  168   1HG2  ILE  22          1HG2      ILE  22   4.297  -1.576  -2.840
  169   2HG2  ILE  22          2HG2      ILE  22   2.942  -1.045  -3.816
  170   3HG2  ILE  22          3HG2      ILE  22   2.712  -2.277  -2.589
  171   1HD1  ILE  22          1HD       ILE  22   0.639  -1.369  -0.573
  172   2HD1  ILE  22          2HD       ILE  22   0.581  -1.761  -2.281
  173   3HD1  ILE  22          3HD       ILE  22  -0.559  -0.615  -1.608
  174    H    LYS  23           H        LYS  23   5.267   0.706  -1.025
  175    HA   LYS  23           HA       LYS  23   7.366  -0.857  -1.684
  176   1HB   LYS  23          1HB       LYS  23   7.424   1.592  -1.771
  177   2HB   LYS  23          2HB       LYS  23   7.437   1.677  -0.027
  178   1HG   LYS  23          2HG       LYS  23   9.700   2.063  -0.930
  179   2HG   LYS  23          1HG       LYS  23   9.666   0.645   0.088
  180   1HD   LYS  23          2HD       LYS  23  11.012   0.215  -1.908
  181   2HD   LYS  23          1HD       LYS  23   9.608  -0.825  -1.934
  182   1HE   LYS  23          2HE       LYS  23   9.993   0.163  -4.162
  183   2HE   LYS  23          1HE       LYS  23   8.486   0.787  -3.518
  184   1HZ   LYS  23          1HZ       LYS  23  10.595   2.434  -2.671
  185   2HZ   LYS  23          2HZ       LYS  23   9.280   2.818  -3.671
  186   3HZ   LYS  23          3HZ       LYS  23  10.715   2.211  -4.349
  187    H    THR  24           H        THR  24   6.697  -0.047   1.693
  188    HA   THR  24           HA       THR  24   8.913  -1.791   2.534
  189    HB   THR  24           HB       THR  24   8.776   0.451   3.566
  190    HG1  THR  24           HG1      THR  24   9.475  -0.530   5.268
  191   1HG2  THR  24          1HG2      THR  24   6.182  -0.576   4.825
  192   2HG2  THR  24          2HG2      THR  24   6.207   0.643   3.566
  193   3HG2  THR  24          3HG2      THR  24   6.930   0.977   5.129
  194    H    LYS  25           H        LYS  25   5.448  -1.983   2.865
  195    HA   LYS  25           HA       LYS  25   5.753  -4.323   4.663
  196   1HB   LYS  25          1HB       LYS  25   3.237  -2.937   3.666
  197   2HB   LYS  25          2HB       LYS  25   3.276  -4.241   4.849
  198   1HG   LYS  25          2HG       LYS  25   4.924  -2.707   6.182
  199   2HG   LYS  25          1HG       LYS  25   4.350  -1.428   5.119
  200   1HD   LYS  25          2HD       LYS  25   2.028  -1.825   5.821
  201   2HD   LYS  25          1HD       LYS  25   2.551  -3.142   6.859
  202   1HE   LYS  25          2HE       LYS  25   3.985  -1.523   8.143
  203   2HE   LYS  25          1HE       LYS  25   3.394  -0.230   7.111
  204   1HZ   LYS  25          1HZ       LYS  25   2.210  -1.309   9.396
  205   2HZ   LYS  25          2HZ       LYS  25   1.180  -1.609   8.083
  206   3HZ   LYS  25          3HZ       LYS  25   1.676  -0.022   8.429
  207    H    HIS  26           H        HIS  26   5.272  -3.761   1.307
  208    HA   HIS  26           HA       HIS  26   4.562  -6.636   0.918
  209   1HB   HIS  26          1HB       HIS  26   3.753  -4.239  -0.780
  210   2HB   HIS  26          2HB       HIS  26   3.371  -5.912  -1.137
  211    HD1  HIS  26           HD1      HIS  26   2.368  -6.958   1.423
  212    HD2  HIS  26           HD2      HIS  26   1.457  -3.134   0.300
  213    HE1  HIS  26           HE1      HIS  26   0.338  -6.345   2.672
  214    H    SER  27           H        SER  27   6.148  -3.869  -0.469
  215    HA   SER  27           HA       SER  27   7.825  -3.561  -2.026
  216   1HB   SER  27          2HB       SER  27   9.938  -4.676  -1.387
  217   2HB   SER  27          1HB       SER  27   9.025  -4.357   0.091
  218    HG   SER  27           HG       SER  27   8.964  -6.408   0.391
  219    H    LYS  28           H        LYS  28   5.815  -5.804  -2.741
  220    HA   LYS  28           HA       LYS  28   7.410  -7.041  -4.955
  221   1HB   LYS  28          1HB       LYS  28   5.382  -8.176  -3.057
  222   2HB   LYS  28          2HB       LYS  28   5.229  -8.722  -4.715
  223   1HG   LYS  28          2HG       LYS  28   6.630 -10.278  -3.469
  224   2HG   LYS  28          1HG       LYS  28   7.595  -9.479  -4.691
  225   1HD   LYS  28          2HD       LYS  28   8.469  -7.918  -2.926
  226   2HD   LYS  28          1HD       LYS  28   7.516  -8.779  -1.728
  227   1HE   LYS  28          2HE       LYS  28   8.798 -10.816  -2.128
  228   2HE   LYS  28          1HE       LYS  28   9.666 -10.063  -3.461
  229   1HZ   LYS  28          1HZ       LYS  28  11.097  -9.241  -2.030
  230   2HZ   LYS  28          2HZ       LYS  28  10.272  -9.984  -0.744
  231   3HZ   LYS  28          3HZ       LYS  28   9.859  -8.402  -1.221
  232    H    GLU  29           H        GLU  29   5.725  -7.887  -6.653
  233    HA   GLU  29           HA       GLU  29   4.353  -5.463  -7.653
  234   1HB   GLU  29          1HB       GLU  29   5.882  -6.641  -9.183
  235   2HB   GLU  29          2HB       GLU  29   5.020  -8.147  -8.944
  236   1HG   GLU  29          2HG       GLU  29   4.370  -7.054 -11.092
  237   2HG   GLU  29          1HG       GLU  29   2.993  -7.195 -10.016
  238    H    LYS  30           H        LYS  30   3.703  -8.874  -7.120
  239    HA   LYS  30           HA       LYS  30   0.780  -8.289  -6.803
  240   1HB   LYS  30          1HB       LYS  30   0.424 -10.634  -7.665
  241   2HB   LYS  30          2HB       LYS  30   1.093  -9.537  -8.870
  242   1HG   LYS  30          2HG       LYS  30   3.364 -10.424  -8.471
  243   2HG   LYS  30          1HG       LYS  30   2.760 -11.479  -7.210
  244   1HD   LYS  30          2HD       LYS  30   1.802 -11.592 -10.111
  245   2HD   LYS  30          1HD       LYS  30   3.099 -12.588  -9.488
  246   1HE   LYS  30          2HE       LYS  30   0.239 -12.603  -8.399
  247   2HE   LYS  30          1HE       LYS  30   0.931 -13.805  -9.475
  248   1HZ   LYS  30          1HZ       LYS  30   1.124 -13.647  -6.691
  249   2HZ   LYS  30          2HZ       LYS  30   2.686 -13.500  -7.345
  250   3HZ   LYS  30          3HZ       LYS  30   1.726 -14.842  -7.737
  Start of MODEL   22
    1   1H    LYS   1          1H        LYS   1  -6.664   9.942  -0.731
    2   2H    LYS   1          2H        LYS   1  -6.565  11.135  -1.933
    3   3H    LYS   1          3H        LYS   1  -7.680   9.861  -2.085
    4    HA   LYS   1           HA       LYS   1  -8.103  11.060   0.403
    5   1HB   LYS   1          2HB       LYS   1  -6.977  12.984  -1.125
    6   2HB   LYS   1          1HB       LYS   1  -8.570  13.073  -1.839
    7   1HG   LYS   1          2HG       LYS   1  -7.927  13.392   1.127
    8   2HG   LYS   1          1HG       LYS   1  -8.289  14.687   0.009
    9   1HD   LYS   1          2HD       LYS   1 -10.594  13.807  -0.305
   10   2HD   LYS   1          1HD       LYS   1 -10.234  12.455   0.755
   11   1HE   LYS   1          2HE       LYS   1 -11.434  14.218   1.998
   12   2HE   LYS   1          1HE       LYS   1  -9.822  13.986   2.644
   13   1HZ   LYS   1          1HZ       LYS   1  -9.409  16.093   2.284
   14   2HZ   LYS   1          2HZ       LYS   1 -10.966  16.321   1.647
   15   3HZ   LYS   1          3HZ       LYS   1  -9.682  15.907   0.617
   16    H    THR   2           H        THR   2 -10.786   9.169  -1.242
   17    HA   THR   2           HA       THR   2  -8.191   8.995   0.238
   18    HB   THR   2           HB       THR   2 -10.610   7.180   0.514
   19    HG1  THR   2           HG1      THR   2 -11.396   8.841   1.552
   20   1HG2  THR   2          1HG2      THR   2  -9.624   6.735   2.733
   21   2HG2  THR   2          2HG2      THR   2  -8.313   7.867   2.430
   22   3HG2  THR   2          3HG2      THR   2  -8.407   6.355   1.534
   23    H    TYR   3           H        TYR   3  -7.204   6.842   0.198
   24    HA   TYR   3           HA       TYR   3  -7.497   5.379  -2.390
   25   1HB   TYR   3          1HB       TYR   3  -4.937   6.398  -1.085
   26   2HB   TYR   3          2HB       TYR   3  -4.914   5.040  -2.199
   27    HD1  TYR   3           HD1      TYR   3  -6.297   8.505  -2.005
   28    HD2  TYR   3           HD2      TYR   3  -4.572   5.504  -4.465
   29    HE1  TYR   3           HE1      TYR   3  -6.281  10.073  -3.899
   30    HE2  TYR   3           HE2      TYR   3  -4.552   7.059  -6.347
   31    HH   TYR   3           HH       TYR   3  -5.087   9.076  -7.084
   32    H    GLN   4           H        GLN   4  -6.937   3.201  -2.328
   33    HA   GLN   4           HA       GLN   4  -6.631   1.975   0.389
   34   1HB   GLN   4          1HB       GLN   4  -9.002   1.838  -0.747
   35   2HB   GLN   4          2HB       GLN   4  -8.241   0.734  -1.886
   36   1HG   GLN   4          2HG       GLN   4  -7.476  -0.623   0.212
   37   2HG   GLN   4          1HG       GLN   4  -8.625   0.361   1.104
   38   1HE2  GLN   4          1HE2      GLN   4  -8.329  -1.802  -1.705
   39   2HE2  GLN   4          2HE2      GLN   4  -9.929  -2.367  -1.675
   40    H    CYS   5           H        CYS   5  -5.797  -0.337   0.118
   41    HA   CYS   5           HA       CYS   5  -3.616  -0.353  -1.901
   42   1HB   CYS   5          1HB       CYS   5  -3.031  -0.563   0.507
   43   2HB   CYS   5          2HB       CYS   5  -4.038  -2.009   0.623
   44    H    GLN   6           H        GLN   6  -3.185  -2.224  -3.036
   45    HA   GLN   6           HA       GLN   6  -5.422  -4.181  -3.368
   46   1HB   GLN   6          1HB       GLN   6  -5.307  -2.358  -5.158
   47   2HB   GLN   6          2HB       GLN   6  -3.698  -2.914  -5.550
   48   1HG   GLN   6          2HG       GLN   6  -5.292  -3.820  -7.167
   49   2HG   GLN   6          1HG       GLN   6  -4.635  -5.150  -6.245
   50   1HE2  GLN   6          2HE2      GLN   6  -7.501  -3.786  -7.359
   51   2HE2  GLN   6          1HE2      GLN   6  -8.587  -4.591  -6.335
   52    H    TYR   7           H        TYR   7  -3.356  -4.463  -1.692
   53    HA   TYR   7           HA       TYR   7  -1.784  -6.704  -2.870
   54   1HB   TYR   7          1HB       TYR   7  -0.750  -4.501  -1.024
   55   2HB   TYR   7          2HB       TYR   7   0.173  -5.920  -1.486
   56    HD1  TYR   7           HD1      TYR   7   0.169  -6.390  -4.114
   57    HD2  TYR   7           HD2      TYR   7  -0.377  -2.537  -2.377
   58    HE1  TYR   7           HE1      TYR   7   0.873  -5.344  -6.204
   59    HE2  TYR   7           HE2      TYR   7   0.320  -1.498  -4.475
   60    HH   TYR   7           HH       TYR   7   1.126  -3.455  -7.329
   61    H    CYS   8           H        CYS   8  -2.719  -5.049   0.095
   62    HA   CYS   8           HA       CYS   8  -3.077  -7.686   1.462
   63   1HB   CYS   8          1HB       CYS   8  -2.844  -6.433   3.570
   64   2HB   CYS   8          2HB       CYS   8  -1.414  -6.350   2.611
   65    H    GLU   9           H        GLU   9  -4.334  -4.408   1.381
   66    HA   GLU   9           HA       GLU   9  -6.915  -4.464   0.759
   67   1HB   GLU   9          1HB       GLU   9  -7.476  -6.360   2.283
   68   2HB   GLU   9          2HB       GLU   9  -6.777  -5.520   3.654
   69   1HG   GLU   9          2HG       GLU   9  -9.219  -4.630   2.045
   70   2HG   GLU   9          1HG       GLU   9  -9.316  -5.560   3.524
   71    H    LEU  10           H        LEU  10  -5.063  -3.765   3.643
   72    HA   LEU  10           HA       LEU  10  -5.859  -1.692   4.980
   73   1HB   LEU  10          1HB       LEU  10  -3.489  -2.624   4.895
   74   2HB   LEU  10          2HB       LEU  10  -3.161  -1.469   3.608
   75    HG   LEU  10           HG       LEU  10  -4.274   0.135   5.669
   76   1HD1  LEU  10          1HD1      LEU  10  -2.987  -0.446   7.678
   77   2HD1  LEU  10          2HD1      LEU  10  -2.369  -1.887   6.889
   78   3HD1  LEU  10          3HD1      LEU  10  -4.083  -1.747   7.247
   79   1HD2  LEU  10          1HD2      LEU  10  -2.351   0.735   4.185
   80   2HD2  LEU  10          2HD2      LEU  10  -1.340  -0.370   5.107
   81   3HD2  LEU  10          3HD2      LEU  10  -2.018   1.052   5.879
   82    H    ARG  11           H        ARG  11  -5.983   0.508   5.062
   83    HA   ARG  11           HA       ARG  11  -6.428   1.901   2.458
   84   1HB   ARG  11          1HB       ARG  11  -7.712   3.550   3.922
   85   2HB   ARG  11          2HB       ARG  11  -8.424   1.958   3.763
   86   1HG   ARG  11          2HG       ARG  11  -8.027   1.389   5.967
   87   2HG   ARG  11          1HG       ARG  11  -6.507   2.242   6.054
   88   1HD   ARG  11          2HD       ARG  11  -9.202   3.660   6.063
   89   2HD   ARG  11          1HD       ARG  11  -8.316   3.214   7.519
   90    HE   ARG  11           HE       ARG  11  -6.411   4.637   6.541
   91   1HH1  ARG  11          1HH2      ARG  11  -8.403   5.216   4.156
   92   2HH1  ARG  11          2HH2      ARG  11  -8.791   6.859   4.532
   93   1HH2  ARG  11          2HH1      ARG  11  -7.464   6.692   7.755
   94   2HH2  ARG  11          1HH1      ARG  11  -8.258   7.711   6.598
   95    H    SER  12           H        SER  12  -5.791   4.030   2.217
   96    HA   SER  12           HA       SER  12  -3.657   5.104   3.990
   97   1HB   SER  12          2HB       SER  12  -2.544   3.968   2.054
   98   2HB   SER  12          1HB       SER  12  -3.556   4.886   0.928
   99    HG   SER  12           HG       SER  12  -2.408   6.539   2.729
  100    H    ALA  13           H        ALA  13  -3.381   7.434   3.692
  101    HA   ALA  13           HA       ALA  13  -5.925   8.792   3.501
  102   1HB   ALA  13          1HB       ALA  13  -4.550  10.869   3.742
  103   2HB   ALA  13          2HB       ALA  13  -3.084   9.939   3.470
  104   3HB   ALA  13          3HB       ALA  13  -4.045   9.650   4.906
  105    H    ASP  14           H        ASP  14  -2.976   9.167   1.533
  106    HA   ASP  14           HA       ASP  14  -4.672   9.305  -0.914
  107   1HB   ASP  14          1HB       ASP  14  -4.172  11.638  -0.119
  108   2HB   ASP  14          2HB       ASP  14  -2.461  11.283  -0.195
  109    H    SER  15           H        SER  15  -3.262   9.204  -2.904
  110    HA   SER  15           HA       SER  15  -1.808   6.830  -3.096
  111   1HB   SER  15          2HB       SER  15  -2.572   8.198  -5.100
  112   2HB   SER  15          1HB       SER  15  -1.317   9.379  -4.739
  113    HG   SER  15           HG       SER  15  -1.109   6.950  -5.913
  114    H    SER  16           H        SER  16  -0.683  10.073  -2.773
  115    HA   SER  16           HA       SER  16   1.982  10.138  -2.661
  116   1HB   SER  16          2HB       SER  16   1.718  12.027  -1.025
  117   2HB   SER  16          1HB       SER  16   0.464  12.049  -2.275
  118    HG   SER  16           HG       SER  16  -0.370  10.407  -0.390
  119    H    ASN  17           H        ASN  17   0.014   8.848  -0.066
  120    HA   ASN  17           HA       ASN  17   2.404   8.204   1.571
  121   1HB   ASN  17          1HB       ASN  17   0.479   9.325   2.686
  122   2HB   ASN  17          2HB       ASN  17  -0.587   8.012   2.217
  123   1HD2  ASN  17          2HD2      ASN  17   1.334   9.135   4.726
  124   2HD2  ASN  17          1HD2      ASN  17   1.545   7.683   5.581
  125    H    LEU  18           H        LEU  18  -0.464   6.623   0.191
  126    HA   LEU  18           HA       LEU  18  -0.125   4.002   0.887
  127   1HB   LEU  18          1HB       LEU  18  -1.910   4.859  -0.662
  128   2HB   LEU  18          2HB       LEU  18  -0.710   5.032  -1.940
  129    HG   LEU  18           HG       LEU  18  -0.342   2.572  -1.924
  130   1HD1  LEU  18          1HD1      LEU  18  -1.918   1.120  -0.675
  131   2HD1  LEU  18          2HD1      LEU  18  -2.635   2.530   0.091
  132   3HD1  LEU  18          3HD1      LEU  18  -0.970   2.083   0.433
  133   1HD2  LEU  18          1HD2      LEU  18  -3.241   3.419  -2.271
  134   2HD2  LEU  18          2HD2      LEU  18  -2.521   1.969  -2.947
  135   3HD2  LEU  18          3HD2      LEU  18  -1.967   3.551  -3.476
  136    H    LYS  19           H        LYS  19   1.587   5.597  -1.692
  137    HA   LYS  19           HA       LYS  19   3.126   3.665  -2.861
  138   1HB   LYS  19          1HB       LYS  19   3.033   6.211  -3.268
  139   2HB   LYS  19          2HB       LYS  19   4.280   6.360  -2.043
  140   1HG   LYS  19          2HG       LYS  19   5.818   4.970  -3.354
  141   2HG   LYS  19          1HG       LYS  19   4.552   4.579  -4.506
  142   1HD   LYS  19          2HD       LYS  19   4.353   7.067  -5.023
  143   2HD   LYS  19          1HD       LYS  19   5.779   7.329  -4.031
  144   1HE   LYS  19          2HE       LYS  19   5.654   5.535  -6.503
  145   2HE   LYS  19          1HE       LYS  19   6.347   7.150  -6.440
  146   1HZ   LYS  19          1HZ       LYS  19   8.227   6.270  -5.796
  147   2HZ   LYS  19          2HZ       LYS  19   7.549   4.715  -5.797
  148   3HZ   LYS  19          3HZ       LYS  19   7.504   5.658  -4.386
  149    H    THR  20           H        THR  20   4.019   5.320   0.181
  150    HA   THR  20           HA       THR  20   6.444   3.749   0.527
  151    HB   THR  20           HB       THR  20   6.616   4.862   2.764
  152    HG1  THR  20           HG1      THR  20   3.889   5.365   2.217
  153   1HG2  THR  20          1HG2      THR  20   5.333   6.827   0.782
  154   2HG2  THR  20          2HG2      THR  20   7.035   6.386   0.758
  155   3HG2  THR  20          3HG2      THR  20   6.371   7.240   2.138
  156    H    HIS  21           H        HIS  21   3.142   3.624   1.865
  157    HA   HIS  21           HA       HIS  21   3.382   1.615   3.788
  158   1HB   HIS  21          1HB       HIS  21   1.114   2.327   3.499
  159   2HB   HIS  21          2HB       HIS  21   1.148   2.168   1.763
  160    HD1  HIS  21           HD1      HIS  21   1.324  -0.155   4.727
  161    HD2  HIS  21           HD2      HIS  21   0.058  -0.169   0.845
  162    HE1  HIS  21           HE1      HIS  21   0.266  -2.360   4.352
  163    H    ILE  22           H        ILE  22   2.826   1.151   0.366
  164    HA   ILE  22           HA       ILE  22   3.110  -1.615   0.105
  165    HB   ILE  22           HB       ILE  22   4.047   0.554  -1.868
  166   1HG1  ILE  22          2HG1      ILE  22   1.406  -0.977  -1.717
  167   2HG1  ILE  22          1HG1      ILE  22   1.610   0.644  -1.107
  168   1HG2  ILE  22          1HG2      ILE  22   3.802  -1.226  -3.608
  169   2HG2  ILE  22          2HG2      ILE  22   3.339  -2.386  -2.378
  170   3HG2  ILE  22          3HG2      ILE  22   4.966  -1.736  -2.411
  171   1HD1  ILE  22          1HD       ILE  22   2.230   1.439  -3.384
  172   2HD1  ILE  22          2HD       ILE  22   0.636   0.695  -3.365
  173   3HD1  ILE  22          3HD       ILE  22   2.009  -0.182  -4.010
  174    H    LYS  23           H        LYS  23   5.697   0.687  -0.626
  175    HA   LYS  23           HA       LYS  23   7.895  -0.821  -0.927
  176   1HB   LYS  23          1HB       LYS  23   7.358   1.835   0.084
  177   2HB   LYS  23          2HB       LYS  23   8.755   1.188   0.922
  178   1HG   LYS  23          2HG       LYS  23   9.834   0.665  -1.232
  179   2HG   LYS  23          1HG       LYS  23   8.406   1.203  -2.100
  180   1HD   LYS  23          2HD       LYS  23   8.689   3.491  -1.318
  181   2HD   LYS  23          1HD       LYS  23   9.981   3.018  -0.229
  182   1HE   LYS  23          2HE       LYS  23  10.843   4.077  -2.335
  183   2HE   LYS  23          1HE       LYS  23  11.430   2.428  -2.149
  184   1HZ   LYS  23          1HZ       LYS  23  10.528   1.936  -4.080
  185   2HZ   LYS  23          2HZ       LYS  23   9.973   3.529  -4.260
  186   3HZ   LYS  23          3HZ       LYS  23   8.983   2.369  -3.525
  187    H    THR  24           H        THR  24   6.573  -0.206   2.253
  188    HA   THR  24           HA       THR  24   8.588  -1.895   3.551
  189    HB   THR  24           HB       THR  24   6.254  -0.344   4.782
  190    HG1  THR  24           HG1      THR  24   7.517   1.200   4.176
  191   1HG2  THR  24          1HG2      THR  24   7.624  -0.443   6.851
  192   2HG2  THR  24          2HG2      THR  24   8.900  -1.319   6.021
  193   3HG2  THR  24          3HG2      THR  24   7.352  -2.095   6.328
  194    H    LYS  25           H        LYS  25   5.128  -2.070   3.282
  195    HA   LYS  25           HA       LYS  25   5.016  -4.612   4.731
  196   1HB   LYS  25          1HB       LYS  25   2.884  -2.945   3.343
  197   2HB   LYS  25          2HB       LYS  25   2.505  -4.402   4.236
  198   1HG   LYS  25          2HG       LYS  25   3.846  -1.900   5.347
  199   2HG   LYS  25          1HG       LYS  25   2.179  -2.345   5.595
  200   1HD   LYS  25          2HD       LYS  25   4.593  -3.901   6.658
  201   2HD   LYS  25          1HD       LYS  25   3.549  -2.860   7.585
  202   1HE   LYS  25          2HE       LYS  25   2.815  -5.094   8.030
  203   2HE   LYS  25          1HE       LYS  25   1.595  -4.379   6.993
  204   1HZ   LYS  25          1HZ       LYS  25   3.058  -6.697   6.572
  205   2HZ   LYS  25          2HZ       LYS  25   3.541  -5.590   5.382
  206   3HZ   LYS  25          3HZ       LYS  25   1.901  -5.985   5.552
  207    H    HIS  26           H        HIS  26   5.309  -3.778   1.439
  208    HA   HIS  26           HA       HIS  26   4.721  -6.593   0.649
  209   1HB   HIS  26          1HB       HIS  26   4.185  -4.019  -0.912
  210   2HB   HIS  26          2HB       HIS  26   3.851  -5.634  -1.511
  211    HD1  HIS  26           HD1      HIS  26   2.472  -6.906   0.773
  212    HD2  HIS  26           HD2      HIS  26   1.727  -2.990  -0.090
  213    HE1  HIS  26           HE1      HIS  26   0.314  -6.386   1.788
  214    H    SER  27           H        SER  27   5.829  -4.505  -1.774
  215    HA   SER  27           HA       SER  27   7.619  -5.004  -3.232
  216   1HB   SER  27          2HB       SER  27   8.684  -3.425  -0.855
  217   2HB   SER  27          1HB       SER  27   9.436  -3.453  -2.459
  218    HG   SER  27           HG       SER  27   6.730  -3.083  -2.565
  219    H    LYS  28           H        LYS  28   7.624  -7.257  -2.843
  220    HA   LYS  28           HA       LYS  28  10.075  -8.303  -1.451
  221   1HB   LYS  28          1HB       LYS  28   7.720  -9.866  -2.543
  222   2HB   LYS  28          2HB       LYS  28   8.991 -10.498  -1.493
  223   1HG   LYS  28          2HG       LYS  28   8.207  -8.812   0.271
  224   2HG   LYS  28          1HG       LYS  28   6.834  -8.492  -0.772
  225   1HD   LYS  28          2HD       LYS  28   7.549 -11.212   0.406
  226   2HD   LYS  28          1HD       LYS  28   6.264 -10.167   0.968
  227   1HE   LYS  28          2HE       LYS  28   6.389 -11.520  -1.768
  228   2HE   LYS  28          1HE       LYS  28   5.302 -11.910  -0.447
  229   1HZ   LYS  28          1HZ       LYS  28   4.952 -10.023  -2.457
  230   2HZ   LYS  28          2HZ       LYS  28   5.057  -9.178  -0.986
  231   3HZ   LYS  28          3HZ       LYS  28   3.904 -10.413  -1.178
  232    H    GLU  29           H        GLU  29  10.801  -7.054  -3.566
  233    HA   GLU  29           HA       GLU  29  11.346  -9.122  -5.660
  234   1HB   GLU  29          1HB       GLU  29  10.881  -6.122  -5.980
  235   2HB   GLU  29          2HB       GLU  29  11.418  -7.156  -7.292
  236   1HG   GLU  29          2HG       GLU  29   8.798  -7.532  -5.748
  237   2HG   GLU  29          1HG       GLU  29   8.923  -6.716  -7.286
  238    H    LYS  30           H        LYS  30  12.334  -6.281  -4.035
  239    HA   LYS  30           HA       LYS  30  14.540  -5.188  -4.300
  240   1HB   LYS  30          1HB       LYS  30  14.443  -7.224  -2.044
  241   2HB   LYS  30          2HB       LYS  30  15.490  -5.809  -2.095
  242   1HG   LYS  30          2HG       LYS  30  13.439  -4.342  -2.238
  243   2HG   LYS  30          1HG       LYS  30  12.437  -5.776  -2.140
  244   1HD   LYS  30          2HD       LYS  30  12.573  -4.769   0.070
  245   2HD   LYS  30          1HD       LYS  30  13.388  -6.313   0.093
  246   1HE   LYS  30          2HE       LYS  30  14.715  -4.588   1.283
  247   2HE   LYS  30          1HE       LYS  30  15.602  -5.154  -0.118
  248   1HZ   LYS  30          1HZ       LYS  30  13.952  -3.010  -0.882
  249   2HZ   LYS  30          2HZ       LYS  30  15.643  -3.111  -0.893
  250   3HZ   LYS  30          3HZ       LYS  30  14.831  -2.560   0.499
  Start of MODEL   23
    1   1H    LYS   1          1H        LYS   1 -12.066   1.854  -2.842
    2   2H    LYS   1          2H        LYS   1 -11.092   3.018  -3.596
    3   3H    LYS   1          3H        LYS   1 -12.531   2.505  -4.340
    4    HA   LYS   1           HA       LYS   1 -13.626   4.116  -3.373
    5   1HB   LYS   1          2HB       LYS   1 -13.970   2.403  -1.531
    6   2HB   LYS   1          1HB       LYS   1 -12.525   2.980  -0.741
    7   1HG   LYS   1          2HG       LYS   1 -14.492   3.957   0.338
    8   2HG   LYS   1          1HG       LYS   1 -13.554   5.220  -0.418
    9   1HD   LYS   1          2HD       LYS   1 -15.946   5.573  -0.851
   10   2HD   LYS   1          1HD       LYS   1 -15.117   5.263  -2.355
   11   1HE   LYS   1          2HE       LYS   1 -17.254   4.018  -2.227
   12   2HE   LYS   1          1HE       LYS   1 -15.941   2.860  -2.261
   13   1HZ   LYS   1          1HZ       LYS   1 -17.924   3.140  -0.365
   14   2HZ   LYS   1          2HZ       LYS   1 -16.487   3.624   0.400
   15   3HZ   LYS   1          3HZ       LYS   1 -16.593   2.087  -0.311
   16    H    THR   2           H        THR   2 -10.656   3.734  -1.538
   17    HA   THR   2           HA       THR   2  -9.955   6.622  -1.964
   18    HB   THR   2           HB       THR   2  -8.970   5.003   0.468
   19    HG1  THR   2           HG1      THR   2 -11.109   6.462   1.075
   20   1HG2  THR   2          1HG2      THR   2  -9.059   7.250   1.533
   21   2HG2  THR   2          2HG2      THR   2  -9.875   7.931   0.136
   22   3HG2  THR   2          3HG2      THR   2  -8.188   7.465   0.031
   23    H    TYR   3           H        TYR   3  -7.380   6.421  -1.096
   24    HA   TYR   3           HA       TYR   3  -6.060   4.959  -3.301
   25   1HB   TYR   3          1HB       TYR   3  -4.954   6.739  -1.043
   26   2HB   TYR   3          2HB       TYR   3  -3.955   6.023  -2.299
   27    HD1  TYR   3           HD1      TYR   3  -7.144   8.057  -2.126
   28    HD2  TYR   3           HD2      TYR   3  -3.371   7.433  -4.007
   29    HE1  TYR   3           HE1      TYR   3  -7.539   9.982  -3.555
   30    HE2  TYR   3           HE2      TYR   3  -3.750   9.362  -5.433
   31    HH   TYR   3           HH       TYR   3  -6.747  11.301  -5.122
   32    H    GLN   4           H        GLN   4  -6.685   2.894  -2.579
   33    HA   GLN   4           HA       GLN   4  -5.552   1.972   0.019
   34   1HB   GLN   4          1HB       GLN   4  -7.984   1.777  -0.306
   35   2HB   GLN   4          2HB       GLN   4  -7.727   0.779  -1.734
   36   1HG   GLN   4          2HG       GLN   4  -6.809  -1.032  -0.408
   37   2HG   GLN   4          1HG       GLN   4  -6.726   0.005   1.015
   38   1HE2  GLN   4          1HE2      GLN   4  -8.658  -2.331  -0.488
   39   2HE2  GLN   4          2HE2      GLN   4 -10.114  -1.982   0.315
   40    H    CYS   5           H        CYS   5  -4.733  -0.165   0.178
   41    HA   CYS   5           HA       CYS   5  -2.668  -0.708  -1.741
   42   1HB   CYS   5          1HB       CYS   5  -2.344  -1.040   0.633
   43   2HB   CYS   5          2HB       CYS   5  -3.690  -2.178   0.696
   44    H    GLN   6           H        GLN   6  -2.276  -2.892  -2.585
   45    HA   GLN   6           HA       GLN   6  -4.773  -4.246  -3.536
   46   1HB   GLN   6          1HB       GLN   6  -3.724  -4.500  -5.728
   47   2HB   GLN   6          2HB       GLN   6  -3.728  -2.802  -5.281
   48   1HG   GLN   6          2HG       GLN   6  -1.344  -2.983  -4.538
   49   2HG   GLN   6          1HG       GLN   6  -1.318  -4.682  -5.003
   50   1HE2  GLN   6          2HE2      GLN   6  -1.392  -5.197  -7.289
   51   2HE2  GLN   6          1HE2      GLN   6  -1.095  -4.010  -8.467
   52    H    TYR   7           H        TYR   7  -2.842  -4.817  -1.358
   53    HA   TYR   7           HA       TYR   7  -2.137  -7.620  -2.118
   54   1HB   TYR   7          1HB       TYR   7  -0.566  -5.636  -0.450
   55   2HB   TYR   7          2HB       TYR   7  -0.156  -7.346  -0.532
   56    HD1  TYR   7           HD1      TYR   7   0.060  -8.320  -2.985
   57    HD2  TYR   7           HD2      TYR   7   0.433  -4.180  -2.045
   58    HE1  TYR   7           HE1      TYR   7   1.272  -7.958  -5.073
   59    HE2  TYR   7           HE2      TYR   7   1.650  -3.826  -4.148
   60    HH   TYR   7           HH       TYR   7   2.280  -6.502  -6.387
   61    H    CYS   8           H        CYS   8  -2.790  -5.409   0.613
   62    HA   CYS   8           HA       CYS   8  -4.010  -7.709   2.066
   63   1HB   CYS   8          1HB       CYS   8  -3.328  -6.562   4.117
   64   2HB   CYS   8          2HB       CYS   8  -1.937  -6.797   3.101
   65    H    GLU   9           H        GLU   9  -4.514  -4.809   3.550
   66    HA   GLU   9           HA       GLU   9  -7.050  -4.210   2.133
   67   1HB   GLU   9          1HB       GLU   9  -7.590  -5.745   3.976
   68   2HB   GLU   9          2HB       GLU   9  -6.737  -4.732   5.120
   69   1HG   GLU   9          2HG       GLU   9  -9.207  -4.378   5.234
   70   2HG   GLU   9          1HG       GLU   9  -8.376  -2.906   4.781
   71    H    LEU  10           H        LEU  10  -4.700  -3.168   4.510
   72    HA   LEU  10           HA       LEU  10  -5.306  -0.731   5.374
   73   1HB   LEU  10          1HB       LEU  10  -3.047  -1.741   5.597
   74   2HB   LEU  10          2HB       LEU  10  -2.681  -1.262   3.942
   75    HG   LEU  10           HG       LEU  10  -3.633   0.938   5.779
   76   1HD1  LEU  10          1HD1      LEU  10  -1.361   1.293   6.694
   77   2HD1  LEU  10          2HD1      LEU  10  -0.794  -0.189   5.945
   78   3HD1  LEU  10          3HD1      LEU  10  -1.997  -0.254   7.219
   79   1HD2  LEU  10          1HD2      LEU  10  -3.003   1.447   3.390
   80   2HD2  LEU  10          2HD2      LEU  10  -1.410   0.805   3.691
   81   3HD2  LEU  10          3HD2      LEU  10  -1.941   2.257   4.515
   82    H    ARG  11           H        ARG  11  -5.694   1.300   4.819
   83    HA   ARG  11           HA       ARG  11  -5.333   2.076   1.963
   84   1HB   ARG  11          1HB       ARG  11  -7.495   3.338   2.085
   85   2HB   ARG  11          2HB       ARG  11  -7.727   1.619   2.276
   86   1HG   ARG  11          2HG       ARG  11  -8.231   1.753   4.557
   87   2HG   ARG  11          1HG       ARG  11  -7.506   3.341   4.753
   88   1HD   ARG  11          2HD       ARG  11  -9.958   3.590   4.678
   89   2HD   ARG  11          1HD       ARG  11  -9.286   4.289   3.211
   90    HE   ARG  11           HE       ARG  11  -9.869   1.815   2.297
   91   1HH1  ARG  11          2HH1      ARG  11 -11.779   4.075   1.858
   92   2HH1  ARG  11          1HH1      ARG  11 -13.243   3.422   2.500
   93   1HH2  ARG  11          2HH2      ARG  11 -11.606   0.861   4.243
   94   2HH2  ARG  11          1HH2      ARG  11 -13.151   1.561   3.885
   95    H    SER  12           H        SER  12  -5.204   4.257   1.563
   96    HA   SER  12           HA       SER  12  -4.026   5.928   3.736
   97   1HB   SER  12          2HB       SER  12  -2.433   5.122   1.870
   98   2HB   SER  12          1HB       SER  12  -3.453   5.969   0.707
   99    HG   SER  12           HG       SER  12  -2.359   7.647   1.187
  100    H    ALA  13           H        ALA  13  -4.102   8.246   2.256
  101    HA   ALA  13           HA       ALA  13  -7.029   8.813   1.943
  102   1HB   ALA  13          1HB       ALA  13  -4.767  10.656   2.835
  103   2HB   ALA  13          2HB       ALA  13  -5.958   9.937   3.906
  104   3HB   ALA  13          3HB       ALA  13  -6.460  11.118   2.704
  105    H    ASP  14           H        ASP  14  -3.786   9.703   0.977
  106    HA   ASP  14           HA       ASP  14  -4.665  10.197  -1.832
  107   1HB   ASP  14          1HB       ASP  14  -4.338  12.346  -0.492
  108   2HB   ASP  14          2HB       ASP  14  -2.684  11.866  -0.221
  109    H    SER  15           H        SER  15  -2.532  10.288  -3.200
  110    HA   SER  15           HA       SER  15  -1.285   7.876  -3.475
  111   1HB   SER  15          2HB       SER  15   0.506   9.024  -4.712
  112   2HB   SER  15          1HB       SER  15  -0.959   9.963  -4.979
  113    HG   SER  15           HG       SER  15  -0.349  11.304  -3.267
  114    H    SER  16           H        SER  16  -0.453  10.417  -1.303
  115    HA   SER  16           HA       SER  16   1.636   8.817   0.058
  116   1HB   SER  16          2HB       SER  16   0.989  11.830   0.234
  117   2HB   SER  16          1HB       SER  16   2.412  11.040   0.934
  118    HG   SER  16           HG       SER  16   1.738  10.956  -1.825
  119    H    ASN  17           H        ASN  17  -0.748   8.746   2.757
  120    HA   ASN  17           HA       ASN  17   2.024   8.143   1.836
  121   1HB   ASN  17          1HB       ASN  17   2.440   7.413   4.126
  122   2HB   ASN  17          2HB       ASN  17   1.837   9.051   4.062
  123   1HD2  ASN  17          2HD2      ASN  17  -1.058   7.395   3.620
  124   2HD2  ASN  17          1HD2      ASN  17  -1.424   7.161   5.244
  125    H    LEU  18           H        LEU  18   0.690   6.896   0.206
  126    HA   LEU  18           HA       LEU  18   0.054   4.129   1.119
  127   1HB   LEU  18          1HB       LEU  18  -1.640   5.235  -0.402
  128   2HB   LEU  18          2HB       LEU  18  -0.382   5.469  -1.603
  129    HG   LEU  18           HG       LEU  18  -0.072   2.999  -1.789
  130   1HD1  LEU  18          1HD1      LEU  18  -0.855   2.339   0.496
  131   2HD1  LEU  18          2HD1      LEU  18  -1.730   1.479  -0.752
  132   3HD1  LEU  18          3HD1      LEU  18  -2.488   2.833   0.070
  133   1HD2  LEU  18          1HD2      LEU  18  -2.930   3.942  -2.179
  134   2HD2  LEU  18          2HD2      LEU  18  -2.197   2.549  -2.967
  135   3HD2  LEU  18          3HD2      LEU  18  -1.608   4.166  -3.317
  136    H    LYS  19           H        LYS  19   1.911   5.838  -1.370
  137    HA   LYS  19           HA       LYS  19   3.364   3.878  -2.610
  138   1HB   LYS  19          1HB       LYS  19   4.414   6.503  -1.468
  139   2HB   LYS  19          2HB       LYS  19   5.398   5.492  -2.511
  140   1HG   LYS  19          2HG       LYS  19   3.708   5.635  -4.298
  141   2HG   LYS  19          1HG       LYS  19   2.660   6.583  -3.269
  142   1HD   LYS  19          2HD       LYS  19   5.465   7.460  -4.120
  143   2HD   LYS  19          1HD       LYS  19   4.009   7.932  -4.969
  144   1HE   LYS  19          2HE       LYS  19   4.689   8.635  -2.072
  145   2HE   LYS  19          1HE       LYS  19   4.637   9.733  -3.439
  146   1HZ   LYS  19          1HZ       LYS  19   2.212   8.352  -3.340
  147   2HZ   LYS  19          2HZ       LYS  19   2.464  10.000  -3.102
  148   3HZ   LYS  19          3HZ       LYS  19   2.548   8.936  -1.786
  149    H    THR  20           H        THR  20   4.491   5.348   0.371
  150    HA   THR  20           HA       THR  20   6.621   3.705   1.030
  151    HB   THR  20           HB       THR  20   6.079   5.785   2.286
  152    HG1  THR  20           HG1      THR  20   6.781   3.440   3.274
  153   1HG2  THR  20          1HG2      THR  20   4.308   5.841   3.989
  154   2HG2  THR  20          2HG2      THR  20   3.842   4.187   3.661
  155   3HG2  THR  20          3HG2      THR  20   3.529   5.438   2.468
  156    H    HIS  21           H        HIS  21   3.230   3.186   1.988
  157    HA   HIS  21           HA       HIS  21   3.468   0.873   3.517
  158   1HB   HIS  21          1HB       HIS  21   1.312   2.036   3.217
  159   2HB   HIS  21          2HB       HIS  21   1.260   1.616   1.521
  160    HD1  HIS  21           HD1      HIS  21   0.916  -0.024   4.838
  161    HD2  HIS  21           HD2      HIS  21   0.469  -0.955   0.890
  162    HE1  HIS  21           HE1      HIS  21  -0.185  -2.235   4.770
  163    H    ILE  22           H        ILE  22   2.442   0.719   0.163
  164    HA   ILE  22           HA       ILE  22   2.761  -1.950  -0.422
  165    HB   ILE  22           HB       ILE  22   3.251   0.479  -2.206
  166   1HG1  ILE  22          2HG1      ILE  22   0.832  -1.332  -1.730
  167   2HG1  ILE  22          1HG1      ILE  22   0.995   0.327  -1.208
  168   1HG2  ILE  22          1HG2      ILE  22   2.849  -2.422  -3.076
  169   2HG2  ILE  22          2HG2      ILE  22   4.339  -1.512  -3.244
  170   3HG2  ILE  22          3HG2      ILE  22   2.929  -1.039  -4.156
  171   1HD1  ILE  22          1HD       ILE  22   0.871  -0.593  -4.109
  172   2HD1  ILE  22          2HD       ILE  22   1.091   1.070  -3.589
  173   3HD1  ILE  22          3HD       ILE  22  -0.401   0.214  -3.223
  174    H    LYS  23           H        LYS  23   5.265   0.495  -0.765
  175    HA   LYS  23           HA       LYS  23   7.343  -1.086  -1.766
  176   1HB   LYS  23          1HB       LYS  23   7.261   1.363  -1.701
  177   2HB   LYS  23          2HB       LYS  23   7.435   1.363   0.032
  178   1HG   LYS  23          2HG       LYS  23   9.649  -0.129  -0.719
  179   2HG   LYS  23          1HG       LYS  23   9.437   0.851  -2.144
  180   1HD   LYS  23          2HD       LYS  23  10.949   2.056  -0.692
  181   2HD   LYS  23          1HD       LYS  23   9.422   2.920  -0.680
  182   1HE   LYS  23          2HE       LYS  23   8.798   1.784   1.470
  183   2HE   LYS  23          1HE       LYS  23  10.320   0.910   1.432
  184   1HZ   LYS  23          1HZ       LYS  23   9.797   3.430   2.475
  185   2HZ   LYS  23          2HZ       LYS  23  10.860   3.640   1.169
  186   3HZ   LYS  23          3HZ       LYS  23  11.270   2.593   2.440
  187    H    THR  24           H        THR  24   6.894  -0.207   1.656
  188    HA   THR  24           HA       THR  24   8.978  -2.004   2.540
  189    HB   THR  24           HB       THR  24   7.030  -0.243   4.121
  190    HG1  THR  24           HG1      THR  24   8.331   1.151   3.300
  191   1HG2  THR  24          1HG2      THR  24   9.731  -1.424   4.987
  192   2HG2  THR  24          2HG2      THR  24   8.195  -2.029   5.595
  193   3HG2  THR  24          3HG2      THR  24   8.691  -0.388   5.947
  194    H    LYS  25           H        LYS  25   5.537  -2.296   2.652
  195    HA   LYS  25           HA       LYS  25   5.754  -4.695   4.382
  196   1HB   LYS  25          1HB       LYS  25   3.335  -3.167   3.383
  197   2HB   LYS  25          2HB       LYS  25   3.303  -4.504   4.535
  198   1HG   LYS  25          2HG       LYS  25   4.595  -3.280   6.163
  199   2HG   LYS  25          1HG       LYS  25   5.000  -2.017   5.018
  200   1HD   LYS  25          2HD       LYS  25   2.639  -1.384   4.865
  201   2HD   LYS  25          1HD       LYS  25   2.185  -2.621   6.028
  202   1HE   LYS  25          2HE       LYS  25   2.383  -0.443   7.148
  203   2HE   LYS  25          1HE       LYS  25   3.701  -1.468   7.706
  204   1HZ   LYS  25          1HZ       LYS  25   3.850   1.014   6.463
  205   2HZ   LYS  25          2HZ       LYS  25   4.511  -0.121   5.385
  206   3HZ   LYS  25          3HZ       LYS  25   5.131   0.010   6.962
  207    H    HIS  26           H        HIS  26   5.519  -4.110   1.014
  208    HA   HIS  26           HA       HIS  26   4.687  -6.969   0.679
  209   1HB   HIS  26          1HB       HIS  26   3.791  -4.603  -1.006
  210   2HB   HIS  26          2HB       HIS  26   3.438  -6.285  -1.368
  211    HD1  HIS  26           HD1      HIS  26   2.478  -7.391   1.189
  212    HD2  HIS  26           HD2      HIS  26   1.564  -3.536   0.192
  213    HE1  HIS  26           HE1      HIS  26   0.476  -6.788   2.510
  214    H    SER  27           H        SER  27   6.030  -4.356  -1.310
  215    HA   SER  27           HA       SER  27   7.280  -5.849  -3.294
  216   1HB   SER  27          2HB       SER  27   8.462  -3.323  -1.999
  217   2HB   SER  27          1HB       SER  27   8.788  -3.921  -3.629
  218    HG   SER  27           HG       SER  27   6.382  -2.983  -2.524
  219    H    LYS  28           H        LYS  28   9.062  -4.615  -0.501
  220    HA   LYS  28           HA       LYS  28  10.784  -7.074  -0.518
  221   1HB   LYS  28          1HB       LYS  28  12.633  -5.577   0.276
  222   2HB   LYS  28          2HB       LYS  28  12.036  -5.061  -1.302
  223   1HG   LYS  28          2HG       LYS  28  10.484  -3.470   0.132
  224   2HG   LYS  28          1HG       LYS  28  11.656  -3.774   1.401
  225   1HD   LYS  28          2HD       LYS  28  13.482  -2.984  -0.079
  226   2HD   LYS  28          1HD       LYS  28  12.311  -2.682  -1.358
  227   1HE   LYS  28          2HE       LYS  28  11.072  -1.158   0.273
  228   2HE   LYS  28          1HE       LYS  28  12.438  -1.332   1.361
  229   1HZ   LYS  28          1HZ       LYS  28  13.423  -0.701  -1.176
  230   2HZ   LYS  28          2HZ       LYS  28  13.482   0.228   0.247
  231   3HZ   LYS  28          3HZ       LYS  28  12.169   0.387  -0.817
  232    H    GLU  29           H        GLU  29  10.073  -8.244   1.085
  233    HA   GLU  29           HA       GLU  29   9.290  -6.951   3.659
  234   1HB   GLU  29          1HB       GLU  29   7.493  -8.167   2.344
  235   2HB   GLU  29          2HB       GLU  29   8.416  -9.641   2.493
  236   1HG   GLU  29          2HG       GLU  29   6.619  -9.650   4.136
  237   2HG   GLU  29          1HG       GLU  29   8.132  -9.557   4.996
  238    H    LYS  30           H        LYS  30  11.825  -7.178   3.279
  239    HA   LYS  30           HA       LYS  30  13.686  -8.878   3.600
  240   1HB   LYS  30          1HB       LYS  30  14.573  -7.642   5.696
  241   2HB   LYS  30          2HB       LYS  30  14.166  -6.671   4.286
  242   1HG   LYS  30          2HG       LYS  30  11.991  -6.074   5.272
  243   2HG   LYS  30          1HG       LYS  30  12.295  -7.098   6.666
  244   1HD   LYS  30          2HD       LYS  30  14.227  -5.690   7.299
  245   2HD   LYS  30          1HD       LYS  30  14.035  -4.724   5.844
  246   1HE   LYS  30          2HE       LYS  30  13.001  -3.537   7.739
  247   2HE   LYS  30          1HE       LYS  30  11.719  -4.076   6.667
  248   1HZ   LYS  30          1HZ       LYS  30  12.082  -4.659   9.363
  249   2HZ   LYS  30          2HZ       LYS  30  12.255  -6.115   8.508
  250   3HZ   LYS  30          3HZ       LYS  30  10.841  -5.188   8.332
  Start of MODEL   24
    1   1H    LYS   1          1H        LYS   1 -10.225  11.917  -3.656
    2   2H    LYS   1          2H        LYS   1  -8.540  12.004  -3.480
    3   3H    LYS   1          3H        LYS   1  -9.551  12.785  -2.364
    4    HA   LYS   1           HA       LYS   1  -8.537  10.183  -2.294
    5   1HB   LYS   1          2HB       LYS   1 -10.547  11.659  -0.526
    6   2HB   LYS   1          1HB       LYS   1  -9.696  10.219  -0.028
    7   1HG   LYS   1          2HG       LYS   1  -7.520  11.377  -0.291
    8   2HG   LYS   1          1HG       LYS   1  -8.368  12.854  -0.728
    9   1HD   LYS   1          2HD       LYS   1  -9.593  12.751   1.474
   10   2HD   LYS   1          1HD       LYS   1  -8.665  11.322   1.890
   11   1HE   LYS   1          2HE       LYS   1  -6.569  12.598   1.765
   12   2HE   LYS   1          1HE       LYS   1  -7.447  14.043   1.270
   13   1HZ   LYS   1          1HZ       LYS   1  -6.934  13.134   3.846
   14   2HZ   LYS   1          2HZ       LYS   1  -8.612  13.026   3.607
   15   3HZ   LYS   1          3HZ       LYS   1  -7.813  14.507   3.369
   16    H    THR   2           H        THR   2 -11.483   8.017  -2.459
   17    HA   THR   2           HA       THR   2  -8.902   8.584  -1.030
   18    HB   THR   2           HB       THR   2 -10.982   6.495  -0.173
   19    HG1  THR   2           HG1      THR   2 -11.212   9.157  -0.130
   20   1HG2  THR   2          1HG2      THR   2  -8.649   6.435   0.872
   21   2HG2  THR   2          2HG2      THR   2  -9.902   6.812   2.034
   22   3HG2  THR   2          3HG2      THR   2  -8.891   8.098   1.393
   23    H    TYR   3           H        TYR   3  -7.605   6.672  -0.693
   24    HA   TYR   3           HA       TYR   3  -7.823   4.740  -2.984
   25   1HB   TYR   3          1HB       TYR   3  -5.180   5.697  -1.808
   26   2HB   TYR   3          2HB       TYR   3  -5.449   4.880  -3.341
   27    HD1  TYR   3           HD1      TYR   3  -7.653   6.430  -4.563
   28    HD2  TYR   3           HD2      TYR   3  -4.305   7.799  -2.325
   29    HE1  TYR   3           HE1      TYR   3  -7.791   8.594  -5.688
   30    HE2  TYR   3           HE2      TYR   3  -4.441   9.964  -3.460
   31    HH   TYR   3           HH       TYR   3  -6.687  10.530  -6.103
   32    H    GLN   4           H        GLN   4  -7.011   2.677  -2.615
   33    HA   GLN   4           HA       GLN   4  -6.607   1.883   0.244
   34   1HB   GLN   4          1HB       GLN   4  -8.953   1.396  -0.542
   35   2HB   GLN   4          2HB       GLN   4  -8.289   0.431  -1.857
   36   1HG   GLN   4          2HG       GLN   4  -7.332  -1.171  -0.255
   37   2HG   GLN   4          1HG       GLN   4  -7.806  -0.150   1.097
   38   1HE2  GLN   4          2HE2      GLN   4  -9.664  -0.886   2.077
   39   2HE2  GLN   4          1HE2      GLN   4 -10.931  -1.703   1.297
   40    H    CYS   5           H        CYS   5  -5.529  -0.343   0.357
   41    HA   CYS   5           HA       CYS   5  -3.290  -0.392  -1.534
   42   1HB   CYS   5          1HB       CYS   5  -2.887  -0.750   0.861
   43   2HB   CYS   5          2HB       CYS   5  -4.011  -2.109   0.866
   44    H    GLN   6           H        GLN   6  -2.672  -2.431  -2.600
   45    HA   GLN   6           HA       GLN   6  -5.050  -4.105  -3.369
   46   1HB   GLN   6          1HB       GLN   6  -2.740  -3.504  -5.238
   47   2HB   GLN   6          2HB       GLN   6  -4.319  -4.129  -5.646
   48   1HG   GLN   6          2HG       GLN   6  -4.659  -1.935  -6.311
   49   2HG   GLN   6          1HG       GLN   6  -5.112  -1.734  -4.624
   50   1HE2  GLN   6          1HE2      GLN   6  -4.093   0.161  -3.787
   51   2HE2  GLN   6          2HE2      GLN   6  -2.523   0.634  -4.186
   52    H    TYR   7           H        TYR   7  -3.095  -4.607  -1.308
   53    HA   TYR   7           HA       TYR   7  -2.079  -7.219  -2.300
   54   1HB   TYR   7          1HB       TYR   7  -0.497  -5.052  -0.905
   55   2HB   TYR   7          2HB       TYR   7   0.034  -6.728  -0.837
   56    HD1  TYR   7           HD1      TYR   7  -0.127  -7.921  -3.317
   57    HD2  TYR   7           HD2      TYR   7   0.528  -3.767  -2.606
   58    HE1  TYR   7           HE1      TYR   7   0.903  -7.704  -5.523
   59    HE2  TYR   7           HE2      TYR   7   1.560  -3.562  -4.811
   60    HH   TYR   7           HH       TYR   7   2.253  -6.344  -6.834
   61    H    CYS   8           H        CYS   8  -2.782  -5.277   0.587
   62    HA   CYS   8           HA       CYS   8  -3.157  -7.851   2.081
   63   1HB   CYS   8          1HB       CYS   8  -2.853  -6.539   4.114
   64   2HB   CYS   8          2HB       CYS   8  -1.477  -6.474   3.063
   65    H    GLU   9           H        GLU   9  -4.520  -4.591   2.175
   66    HA   GLU   9           HA       GLU   9  -7.185  -4.936   1.681
   67   1HB   GLU   9          1HB       GLU   9  -7.414  -6.683   3.473
   68   2HB   GLU   9          2HB       GLU   9  -6.651  -5.618   4.638
   69   1HG   GLU   9          2HG       GLU   9  -8.626  -4.044   4.362
   70   2HG   GLU   9          1HG       GLU   9  -9.334  -5.181   3.226
   71    H    LEU  10           H        LEU  10  -5.090  -3.811   4.257
   72    HA   LEU  10           HA       LEU  10  -6.039  -1.620   5.382
   73   1HB   LEU  10          1HB       LEU  10  -3.755  -2.412   5.652
   74   2HB   LEU  10          2HB       LEU  10  -3.304  -1.834   4.048
   75    HG   LEU  10           HG       LEU  10  -4.395   0.204   6.000
   76   1HD1  LEU  10          1HD1      LEU  10  -1.545  -0.908   6.096
   77   2HD1  LEU  10          2HD1      LEU  10  -2.755  -1.115   7.349
   78   3HD1  LEU  10          3HD1      LEU  10  -2.135   0.486   6.995
   79   1HD2  LEU  10          1HD2      LEU  10  -3.695   0.829   3.629
   80   2HD2  LEU  10          2HD2      LEU  10  -2.091   0.222   3.978
   81   3HD2  LEU  10          3HD2      LEU  10  -2.701   1.619   4.837
   82    H    ARG  11           H        ARG  11  -6.299   0.552   5.122
   83    HA   ARG  11           HA       ARG  11  -6.692   1.510   2.314
   84   1HB   ARG  11          1HB       ARG  11  -8.760   1.365   3.603
   85   2HB   ARG  11          2HB       ARG  11  -8.045   2.244   4.940
   86   1HG   ARG  11          2HG       ARG  11  -7.819   4.256   3.396
   87   2HG   ARG  11          1HG       ARG  11  -8.689   3.356   2.166
   88   1HD   ARG  11          2HD       ARG  11  -9.772   3.908   4.965
   89   2HD   ARG  11          1HD       ARG  11 -10.134   4.914   3.567
   90    HE   ARG  11           HE       ARG  11 -10.873   2.016   3.738
   91   1HH1  ARG  11          2HH1      ARG  11 -10.908   4.434   1.543
   92   2HH1  ARG  11          1HH1      ARG  11 -12.625   4.498   1.301
   93   1HH2  ARG  11          1HH2      ARG  11 -13.277   2.407   4.036
   94   2HH2  ARG  11          2HH2      ARG  11 -13.998   3.317   2.750
   95    H    SER  12           H        SER  12  -6.125   3.650   1.824
   96    HA   SER  12           HA       SER  12  -4.126   4.964   3.606
   97   1HB   SER  12          2HB       SER  12  -2.887   5.571   1.472
   98   2HB   SER  12          1HB       SER  12  -3.019   3.816   1.639
   99    HG   SER  12           HG       SER  12  -4.127   3.846  -0.122
  100    H    ALA  13           H        ALA  13  -3.802   7.313   2.388
  101    HA   ALA  13           HA       ALA  13  -6.573   8.457   2.181
  102   1HB   ALA  13          1HB       ALA  13  -5.607  10.530   3.122
  103   2HB   ALA  13          2HB       ALA  13  -4.028   9.768   3.217
  104   3HB   ALA  13          3HB       ALA  13  -5.348   9.180   4.214
  105    H    ASP  14           H        ASP  14  -3.264   9.317   1.322
  106    HA   ASP  14           HA       ASP  14  -4.205  10.095  -1.409
  107   1HB   ASP  14          1HB       ASP  14  -2.090  11.528   0.252
  108   2HB   ASP  14          2HB       ASP  14  -2.641  11.990  -1.351
  109    H    SER  15           H        SER  15  -2.216  10.474  -2.870
  110    HA   SER  15           HA       SER  15  -0.677   7.936  -2.851
  111   1HB   SER  15          2HB       SER  15  -1.951   8.553  -4.906
  112   2HB   SER  15          1HB       SER  15  -0.981  10.026  -5.064
  113    HG   SER  15           HG       SER  15   0.562   8.853  -5.828
  114    H    SER  16           H        SER  16   0.089   9.612  -0.970
  115    HA   SER  16           HA       SER  16   2.828  10.534  -1.735
  116   1HB   SER  16          2HB       SER  16   2.564  12.388  -0.057
  117   2HB   SER  16          1HB       SER  16   1.250  12.494  -1.233
  118    HG   SER  16           HG       SER  16   1.133  12.001   1.397
  119    H    ASN  17           H        ASN  17   0.590   9.040   0.336
  120    HA   ASN  17           HA       ASN  17   2.642   8.040   2.230
  121   1HB   ASN  17          1HB       ASN  17   0.565   7.547   3.653
  122   2HB   ASN  17          2HB       ASN  17   0.897   9.242   3.359
  123   1HD2  ASN  17          2HD2      ASN  17  -0.360  10.238   1.424
  124   2HD2  ASN  17          1HD2      ASN  17  -1.939   9.694   1.217
  125    H    LEU  18           H        LEU  18  -0.229   6.900   0.364
  126    HA   LEU  18           HA       LEU  18  -0.151   4.210   0.907
  127   1HB   LEU  18          1HB       LEU  18  -1.793   5.242  -0.698
  128   2HB   LEU  18          2HB       LEU  18  -0.489   5.584  -1.831
  129    HG   LEU  18           HG       LEU  18  -0.124   3.143  -2.166
  130   1HD1  LEU  18          1HD1      LEU  18  -0.944   2.319   0.050
  131   2HD1  LEU  18          2HD1      LEU  18  -1.757   1.511  -1.273
  132   3HD1  LEU  18          3HD1      LEU  18  -2.579   2.781  -0.388
  133   1HD2  LEU  18          1HD2      LEU  18  -3.006   4.035  -2.570
  134   2HD2  LEU  18          2HD2      LEU  18  -2.212   2.723  -3.429
  135   3HD2  LEU  18          3HD2      LEU  18  -1.670   4.378  -3.656
  136    H    LYS  19           H        LYS  19   1.949   5.855  -1.352
  137    HA   LYS  19           HA       LYS  19   3.365   3.709  -2.434
  138   1HB   LYS  19          1HB       LYS  19   4.370   6.452  -1.577
  139   2HB   LYS  19          2HB       LYS  19   5.323   5.345  -2.549
  140   1HG   LYS  19          2HG       LYS  19   3.404   5.295  -4.227
  141   2HG   LYS  19          1HG       LYS  19   2.613   6.549  -3.286
  142   1HD   LYS  19          2HD       LYS  19   4.562   8.054  -3.628
  143   2HD   LYS  19          1HD       LYS  19   5.381   6.790  -4.532
  144   1HE   LYS  19          2HE       LYS  19   3.490   6.795  -6.192
  145   2HE   LYS  19          1HE       LYS  19   2.757   8.132  -5.312
  146   1HZ   LYS  19          1HZ       LYS  19   4.743   8.222  -7.257
  147   2HZ   LYS  19          2HZ       LYS  19   5.434   8.767  -5.807
  148   3HZ   LYS  19          3HZ       LYS  19   4.033   9.513  -6.415
  149    H    THR  20           H        THR  20   4.391   5.559   0.436
  150    HA   THR  20           HA       THR  20   6.505   3.922   1.251
  151    HB   THR  20           HB       THR  20   5.622   6.251   2.305
  152    HG1  THR  20           HG1      THR  20   7.353   5.692   3.342
  153   1HG2  THR  20          1HG2      THR  20   3.508   5.164   3.461
  154   2HG2  THR  20          2HG2      THR  20   4.633   5.954   4.538
  155   3HG2  THR  20          3HG2      THR  20   4.637   4.208   4.394
  156    H    HIS  21           H        HIS  21   3.059   3.530   2.056
  157    HA   HIS  21           HA       HIS  21   3.339   1.365   3.874
  158   1HB   HIS  21          1HB       HIS  21   1.125   2.338   3.600
  159   2HB   HIS  21          2HB       HIS  21   1.101   2.015   1.879
  160    HD1  HIS  21           HD1      HIS  21   1.016   0.065   5.094
  161    HD2  HIS  21           HD2      HIS  21   0.169  -0.459   1.132
  162    HE1  HIS  21           HE1      HIS  21  -0.063  -2.154   4.897
  163    H    ILE  22           H        ILE  22   2.489   1.105   0.461
  164    HA   ILE  22           HA       ILE  22   2.824  -1.626   0.077
  165    HB   ILE  22           HB       ILE  22   3.431   0.638  -1.890
  166   1HG1  ILE  22          2HG1      ILE  22   0.866  -0.987  -1.509
  167   2HG1  ILE  22          1HG1      ILE  22   1.091   0.612  -0.822
  168   1HG2  ILE  22          1HG2      ILE  22   2.980  -1.087  -3.653
  169   2HG2  ILE  22          2HG2      ILE  22   2.768  -2.306  -2.410
  170   3HG2  ILE  22          3HG2      ILE  22   4.339  -1.569  -2.666
  171   1HD1  ILE  22          1HD       ILE  22   1.164  -0.027  -3.800
  172   2HD1  ILE  22          2HD       ILE  22   1.422   1.560  -3.092
  173   3HD1  ILE  22          3HD       ILE  22  -0.139   0.768  -2.939
  174    H    LYS  23           H        LYS  23   5.249   0.776  -0.807
  175    HA   LYS  23           HA       LYS  23   7.408  -0.692  -1.528
  176   1HB   LYS  23          1HB       LYS  23   7.353   1.793   0.209
  177   2HB   LYS  23          2HB       LYS  23   8.807   1.178  -0.563
  178   1HG   LYS  23          2HG       LYS  23   7.857   1.482  -2.783
  179   2HG   LYS  23          1HG       LYS  23   6.265   1.817  -2.152
  180   1HD   LYS  23          2HD       LYS  23   7.189   3.952  -2.725
  181   2HD   LYS  23          1HD       LYS  23   7.304   3.877  -0.983
  182   1HE   LYS  23          2HE       LYS  23   9.418   4.721  -1.822
  183   2HE   LYS  23          1HE       LYS  23   9.717   3.088  -1.254
  184   1HZ   LYS  23          1HZ       LYS  23   8.897   2.962  -3.926
  185   2HZ   LYS  23          2HZ       LYS  23  10.399   2.539  -3.256
  186   3HZ   LYS  23          3HZ       LYS  23  10.125   4.126  -3.796
  187    H    THR  24           H        THR  24   6.361  -0.356   1.793
  188    HA   THR  24           HA       THR  24   8.722  -1.827   2.749
  189    HB   THR  24           HB       THR  24   6.507  -0.524   4.404
  190    HG1  THR  24           HG1      THR  24   7.371   1.053   3.305
  191   1HG2  THR  24          1HG2      THR  24   8.306  -0.396   6.116
  192   2HG2  THR  24          2HG2      THR  24   9.467  -1.104   5.003
  193   3HG2  THR  24          3HG2      THR  24   8.153  -2.078   5.643
  194    H    LYS  25           H        LYS  25   5.275  -2.256   2.946
  195    HA   LYS  25           HA       LYS  25   5.661  -4.868   4.297
  196   1HB   LYS  25          1HB       LYS  25   3.158  -3.317   3.588
  197   2HB   LYS  25          2HB       LYS  25   3.157  -4.882   4.395
  198   1HG   LYS  25          2HG       LYS  25   4.573  -3.927   6.220
  199   2HG   LYS  25          1HG       LYS  25   4.570  -2.375   5.413
  200   1HD   LYS  25          2HD       LYS  25   2.909  -2.380   7.227
  201   2HD   LYS  25          1HD       LYS  25   2.109  -2.221   5.679
  202   1HE   LYS  25          2HE       LYS  25   1.521  -4.636   5.713
  203   2HE   LYS  25          1HE       LYS  25   2.398  -4.847   7.223
  204   1HZ   LYS  25          1HZ       LYS  25  -0.235  -4.047   6.834
  205   2HZ   LYS  25          2HZ       LYS  25   0.590  -2.728   7.511
  206   3HZ   LYS  25          3HZ       LYS  25   0.601  -4.234   8.300
  207    H    HIS  26           H        HIS  26   5.271  -3.863   1.081
  208    HA   HIS  26           HA       HIS  26   4.603  -6.662   0.272
  209   1HB   HIS  26          1HB       HIS  26   3.694  -4.106  -1.126
  210   2HB   HIS  26          2HB       HIS  26   3.278  -5.752  -1.574
  211    HD1  HIS  26           HD1      HIS  26   2.420  -6.939   1.014
  212    HD2  HIS  26           HD2      HIS  26   1.432  -3.088   0.083
  213    HE1  HIS  26           HE1      HIS  26   0.453  -6.387   2.390
  214    H    SER  27           H        SER  27   6.134  -3.676  -0.551
  215    HA   SER  27           HA       SER  27   7.987  -3.080  -1.804
  216   1HB   SER  27          2HB       SER  27   9.116  -4.877  -0.362
  217   2HB   SER  27          1HB       SER  27   8.741  -6.069  -1.614
  218    HG   SER  27           HG       SER  27  10.370  -5.337  -2.659
  219    H    LYS  28           H        LYS  28   5.637  -3.561  -2.996
  220    HA   LYS  28           HA       LYS  28   4.619  -4.735  -4.914
  221   1HB   LYS  28          1HB       LYS  28   4.726  -2.824  -6.543
  222   2HB   LYS  28          2HB       LYS  28   4.351  -2.345  -4.892
  223   1HG   LYS  28          2HG       LYS  28   6.663  -1.644  -4.509
  224   2HG   LYS  28          1HG       LYS  28   7.166  -2.193  -6.085
  225   1HD   LYS  28          2HD       LYS  28   5.150   0.020  -5.524
  226   2HD   LYS  28          1HD       LYS  28   6.809   0.257  -6.034
  227   1HE   LYS  28          2HE       LYS  28   4.591  -1.054  -7.683
  228   2HE   LYS  28          1HE       LYS  28   5.348   0.495  -7.979
  229   1HZ   LYS  28          1HZ       LYS  28   7.369  -1.416  -7.828
  230   2HZ   LYS  28          2HZ       LYS  28   6.873  -0.501  -9.166
  231   3HZ   LYS  28          3HZ       LYS  28   6.164  -2.013  -8.861
  232    H    GLU  29           H        GLU  29   6.198  -6.538  -5.089
  233    HA   GLU  29           HA       GLU  29   7.882  -7.764  -6.234
  234   1HB   GLU  29          1HB       GLU  29   5.684  -7.016  -8.211
  235   2HB   GLU  29          2HB       GLU  29   6.800  -8.349  -8.466
  236   1HG   GLU  29          2HG       GLU  29   5.970  -9.585  -6.606
  237   2HG   GLU  29          1HG       GLU  29   5.224  -8.185  -5.865
  238    H    LYS  30           H        LYS  30   9.027  -5.536  -5.950
  239    HA   LYS  30           HA       LYS  30  10.185  -4.590  -8.531
  240   1HB   LYS  30          1HB       LYS  30   9.186  -2.839  -7.101
  241   2HB   LYS  30          2HB       LYS  30  10.151  -3.374  -5.729
  242   1HG   LYS  30          2HG       LYS  30  12.231  -2.773  -7.069
  243   2HG   LYS  30          1HG       LYS  30  11.169  -2.108  -8.302
  244   1HD   LYS  30          2HD       LYS  30  10.219  -0.515  -6.686
  245   2HD   LYS  30          1HD       LYS  30  11.147  -1.237  -5.381
  246   1HE   LYS  30          2HE       LYS  30  13.263  -0.590  -6.545
  247   2HE   LYS  30          1HE       LYS  30  12.318   0.184  -7.812
  248   1HZ   LYS  30          1HZ       LYS  30  11.407   1.112  -5.337
  249   2HZ   LYS  30          2HZ       LYS  30  12.185   1.976  -6.574
  250   3HZ   LYS  30          3HZ       LYS  30  13.101   1.227  -5.357
  Start of MODEL   25
    1   1H    LYS   1          1H        LYS   1 -10.204   1.384  -7.006
    2   2H    LYS   1          2H        LYS   1  -9.616   1.742  -8.557
    3   3H    LYS   1          3H        LYS   1 -11.275   1.887  -8.224
    4    HA   LYS   1           HA       LYS   1  -9.266   3.820  -7.989
    5   1HB   LYS   1          2HB       LYS   1 -12.218   3.838  -7.185
    6   2HB   LYS   1          1HB       LYS   1 -11.220   5.269  -7.379
    7   1HG   LYS   1          2HG       LYS   1 -10.855   4.721  -9.769
    8   2HG   LYS   1          1HG       LYS   1 -11.768   3.238  -9.590
    9   1HD   LYS   1          2HD       LYS   1 -13.193   4.962 -10.601
   10   2HD   LYS   1          1HD       LYS   1 -13.811   4.509  -9.029
   11   1HE   LYS   1          2HE       LYS   1 -13.857   6.980  -9.373
   12   2HE   LYS   1          1HE       LYS   1 -12.818   6.565  -8.023
   13   1HZ   LYS   1          1HZ       LYS   1 -11.151   7.550  -9.040
   14   2HZ   LYS   1          2HZ       LYS   1 -12.182   7.984 -10.321
   15   3HZ   LYS   1          3HZ       LYS   1 -11.308   6.529 -10.389
   16    H    THR   2           H        THR   2  -9.401   5.429  -6.197
   17    HA   THR   2           HA       THR   2  -9.272   6.123  -3.959
   18    HB   THR   2           HB       THR   2  -9.637   3.156  -3.080
   19    HG1  THR   2           HG1      THR   2 -11.711   4.831  -2.717
   20   1HG2  THR   2          1HG2      THR   2  -8.778   4.711  -1.239
   21   2HG2  THR   2          2HG2      THR   2 -10.407   4.147  -0.977
   22   3HG2  THR   2          3HG2      THR   2 -10.141   5.771  -1.588
   23    H    TYR   3           H        TYR   3  -7.682   5.795  -2.167
   24    HA   TYR   3           HA       TYR   3  -5.107   4.744  -3.271
   25   1HB   TYR   3          1HB       TYR   3  -5.697   6.934  -1.227
   26   2HB   TYR   3          2HB       TYR   3  -4.082   6.336  -1.543
   27    HD1  TYR   3           HD1      TYR   3  -7.028   7.930  -3.223
   28    HD2  TYR   3           HD2      TYR   3  -2.849   7.115  -3.417
   29    HE1  TYR   3           HE1      TYR   3  -6.827   9.398  -5.170
   30    HE2  TYR   3           HE2      TYR   3  -2.655   8.577  -5.361
   31    HH   TYR   3           HH       TYR   3  -3.721   9.834  -6.842
   32    H    GLN   4           H        GLN   4  -6.000   2.784  -2.706
   33    HA   GLN   4           HA       GLN   4  -5.618   1.974   0.137
   34   1HB   GLN   4          1HB       GLN   4  -8.027   1.862  -0.639
   35   2HB   GLN   4          2HB       GLN   4  -7.537   0.785  -1.946
   36   1HG   GLN   4          2HG       GLN   4  -6.846  -0.932  -0.297
   37   2HG   GLN   4          1HG       GLN   4  -7.218   0.160   1.030
   38   1HE2  GLN   4          2HE2      GLN   4  -9.196  -0.273   1.931
   39   2HE2  GLN   4          1HE2      GLN   4 -10.536  -0.922   1.116
   40    H    CYS   5           H        CYS   5  -5.095  -0.481   0.118
   41    HA   CYS   5           HA       CYS   5  -2.864  -0.881  -1.801
   42   1HB   CYS   5          1HB       CYS   5  -2.461  -0.997   0.639
   43   2HB   CYS   5          2HB       CYS   5  -3.612  -2.329   0.728
   44    H    GLN   6           H        GLN   6  -2.534  -2.916  -2.785
   45    HA   GLN   6           HA       GLN   6  -5.030  -4.516  -3.237
   46   1HB   GLN   6          1HB       GLN   6  -4.165  -2.923  -5.121
   47   2HB   GLN   6          2HB       GLN   6  -2.831  -4.039  -5.293
   48   1HG   GLN   6          2HG       GLN   6  -4.573  -4.588  -6.928
   49   2HG   GLN   6          1HG       GLN   6  -4.487  -5.899  -5.763
   50   1HE2  GLN   6          2HE2      GLN   6  -6.486  -6.512  -4.949
   51   2HE2  GLN   6          1HE2      GLN   6  -7.861  -5.518  -4.878
   52    H    TYR   7           H        TYR   7  -3.113  -4.967  -1.271
   53    HA   TYR   7           HA       TYR   7  -2.069  -7.648  -2.058
   54   1HB   TYR   7          1HB       TYR   7  -0.625  -5.479  -0.475
   55   2HB   TYR   7          2HB       TYR   7  -0.084  -7.148  -0.530
   56    HD1  TYR   7           HD1      TYR   7   0.122  -8.172  -2.973
   57    HD2  TYR   7           HD2      TYR   7   0.258  -3.997  -2.123
   58    HE1  TYR   7           HE1      TYR   7   1.268  -7.779  -5.090
   59    HE2  TYR   7           HE2      TYR   7   1.411  -3.612  -4.253
   60    HH   TYR   7           HH       TYR   7   2.132  -6.285  -6.476
   61    H    CYS   8           H        CYS   8  -2.732  -5.468   0.622
   62    HA   CYS   8           HA       CYS   8  -3.714  -7.782   2.260
   63   1HB   CYS   8          1HB       CYS   8  -3.176  -6.420   4.212
   64   2HB   CYS   8          2HB       CYS   8  -1.767  -6.661   3.224
   65    H    GLU   9           H        GLU   9  -4.171  -4.370   1.655
   66    HA   GLU   9           HA       GLU   9  -6.245  -3.387   0.850
   67   1HB   GLU   9          1HB       GLU   9  -7.576  -5.541   1.234
   68   2HB   GLU   9          2HB       GLU   9  -7.692  -5.124   2.939
   69   1HG   GLU   9          2HG       GLU   9  -8.843  -2.961   2.256
   70   2HG   GLU   9          1HG       GLU   9  -8.759  -3.496   0.590
   71    H    LEU  10           H        LEU  10  -4.529  -2.141   2.128
   72    HA   LEU  10           HA       LEU  10  -5.650  -1.025   4.665
   73   1HB   LEU  10          1HB       LEU  10  -3.304  -1.906   4.788
   74   2HB   LEU  10          2HB       LEU  10  -2.829  -0.847   3.463
   75    HG   LEU  10           HG       LEU  10  -4.060   0.351   5.975
   76   1HD1  LEU  10          1HD1      LEU  10  -1.766   0.594   6.916
   77   2HD1  LEU  10          2HD1      LEU  10  -1.101  -0.338   5.588
   78   3HD1  LEU  10          3HD1      LEU  10  -2.173  -1.104   6.749
   79   1HD2  LEU  10          1HD2      LEU  10  -1.939   1.372   4.011
   80   2HD2  LEU  10          2HD2      LEU  10  -2.628   2.286   5.343
   81   3HD2  LEU  10          3HD2      LEU  10  -3.620   1.865   3.973
   82    H    ARG  11           H        ARG  11  -6.344   1.072   4.585
   83    HA   ARG  11           HA       ARG  11  -6.044   2.527   1.983
   84   1HB   ARG  11          1HB       ARG  11  -8.360   1.861   2.365
   85   2HB   ARG  11          2HB       ARG  11  -8.332   2.519   3.987
   86   1HG   ARG  11          2HG       ARG  11  -8.050   4.824   3.075
   87   2HG   ARG  11          1HG       ARG  11  -7.985   4.181   1.443
   88   1HD   ARG  11          2HD       ARG  11 -10.294   3.482   1.548
   89   2HD   ARG  11          1HD       ARG  11 -10.375   3.749   3.288
   90    HE   ARG  11           HE       ARG  11 -10.049   6.203   2.787
   91   1HH1  ARG  11          1HH2      ARG  11 -12.276   4.286   1.233
   92   2HH1  ARG  11          2HH2      ARG  11 -12.626   5.407  -0.039
   93   1HH2  ARG  11          2HH1      ARG  11  -9.993   7.541   0.820
   94   2HH2  ARG  11          1HH1      ARG  11 -11.302   7.287  -0.283
   95    H    SER  12           H        SER  12  -5.664   4.614   1.937
   96    HA   SER  12           HA       SER  12  -4.746   5.967   4.445
   97   1HB   SER  12          2HB       SER  12  -3.670   6.231   1.574
   98   2HB   SER  12          1HB       SER  12  -3.066   7.129   2.980
   99    HG   SER  12           HG       SER  12  -2.519   4.620   2.230
  100    H    ALA  13           H        ALA  13  -5.956   6.294   1.226
  101    HA   ALA  13           HA       ALA  13  -8.032   7.383   0.606
  102   1HB   ALA  13          1HB       ALA  13  -8.686   9.553   1.619
  103   2HB   ALA  13          2HB       ALA  13  -7.253   9.564   2.620
  104   3HB   ALA  13          3HB       ALA  13  -8.508   8.356   2.889
  105    H    ASP  14           H        ASP  14  -5.018   8.926   1.367
  106    HA   ASP  14           HA       ASP  14  -4.976  10.281  -1.305
  107   1HB   ASP  14          1HB       ASP  14  -3.724  11.250   1.302
  108   2HB   ASP  14          2HB       ASP  14  -3.743  12.118  -0.227
  109    H    SER  15           H        SER  15  -2.566  11.047  -1.633
  110    HA   SER  15           HA       SER  15  -0.809   8.619  -1.462
  111   1HB   SER  15          2HB       SER  15  -1.775   9.755  -3.763
  112   2HB   SER  15          1HB       SER  15  -0.322  10.728  -3.565
  113    HG   SER  15           HG       SER  15   0.896   9.023  -3.720
  114    H    SER  16           H        SER  16   1.931  10.880  -0.373
  115    HA   SER  16           HA       SER  16   1.313   8.385  -1.901
  116   1HB   SER  16          2HB       SER  16   3.942   9.947  -1.571
  117   2HB   SER  16          1HB       SER  16   3.790   8.420  -2.451
  118    HG   SER  16           HG       SER  16   1.889   9.760  -3.404
  119    H    ASN  17           H        ASN  17   0.626   8.680   0.720
  120    HA   ASN  17           HA       ASN  17   2.616   7.573   2.535
  121   1HB   ASN  17          1HB       ASN  17  -0.453   7.559   2.765
  122   2HB   ASN  17          2HB       ASN  17   0.680   7.374   4.100
  123   1HD2  ASN  17          1HD2      ASN  17   1.205   9.270   5.190
  124   2HD2  ASN  17          2HD2      ASN  17   0.968  10.837   4.585
  125    H    LEU  18           H        LEU  18  -0.053   6.535   0.574
  126    HA   LEU  18           HA       LEU  18  -0.088   3.770   1.143
  127   1HB   LEU  18          1HB       LEU  18  -1.854   4.984  -0.174
  128   2HB   LEU  18          2HB       LEU  18  -0.680   5.297  -1.448
  129    HG   LEU  18           HG       LEU  18  -0.466   2.784  -1.756
  130   1HD1  LEU  18          1HD1      LEU  18  -2.950   2.762   0.018
  131   2HD1  LEU  18          2HD1      LEU  18  -1.388   2.111   0.479
  132   3HD1  LEU  18          3HD1      LEU  18  -2.280   1.378  -0.839
  133   1HD2  LEU  18          1HD2      LEU  18  -2.573   2.694  -3.056
  134   2HD2  LEU  18          2HD2      LEU  18  -1.777   4.244  -3.240
  135   3HD2  LEU  18          3HD2      LEU  18  -3.168   4.097  -2.182
  136    H    LYS  19           H        LYS  19   1.606   5.526  -1.424
  137    HA   LYS  19           HA       LYS  19   2.974   3.478  -2.706
  138   1HB   LYS  19          1HB       LYS  19   3.104   5.941  -3.284
  139   2HB   LYS  19          2HB       LYS  19   4.136   6.198  -1.900
  140   1HG   LYS  19          2HG       LYS  19   5.571   6.040  -3.841
  141   2HG   LYS  19          1HG       LYS  19   5.807   4.584  -2.900
  142   1HD   LYS  19          2HD       LYS  19   4.323   3.311  -4.416
  143   2HD   LYS  19          1HD       LYS  19   3.921   4.773  -5.298
  144   1HE   LYS  19          2HE       LYS  19   5.644   3.521  -6.531
  145   2HE   LYS  19          1HE       LYS  19   6.361   4.999  -5.913
  146   1HZ   LYS  19          1HZ       LYS  19   7.834   3.800  -4.837
  147   2HZ   LYS  19          2HZ       LYS  19   7.141   2.378  -5.453
  148   3HZ   LYS  19          3HZ       LYS  19   6.611   3.005  -3.966
  149    H    THR  20           H        THR  20   4.178   5.335   0.044
  150    HA   THR  20           HA       THR  20   6.465   3.914   0.715
  151    HB   THR  20           HB       THR  20   4.446   5.244   2.642
  152    HG1  THR  20           HG1      THR  20   5.081   6.646   1.077
  153   1HG2  THR  20          1HG2      THR  20   6.341   3.919   3.774
  154   2HG2  THR  20          2HG2      THR  20   6.457   5.649   4.025
  155   3HG2  THR  20          3HG2      THR  20   7.489   4.872   2.839
  156    H    HIS  21           H        HIS  21   3.201   3.343   2.098
  157    HA   HIS  21           HA       HIS  21   3.689   1.085   3.629
  158   1HB   HIS  21          1HB       HIS  21   1.444   2.022   3.613
  159   2HB   HIS  21          2HB       HIS  21   1.248   1.780   1.895
  160    HD1  HIS  21           HD1      HIS  21   1.572  -0.329   4.989
  161    HD2  HIS  21           HD2      HIS  21   0.231  -0.632   1.142
  162    HE1  HIS  21           HE1      HIS  21   0.490  -2.546   4.800
  163    H    ILE  22           H        ILE  22   2.455   0.835   0.328
  164    HA   ILE  22           HA       ILE  22   2.720  -1.793  -0.289
  165    HB   ILE  22           HB       ILE  22   3.498   0.535  -2.103
  166   1HG1  ILE  22          2HG1      ILE  22   1.195   0.775  -1.174
  167   2HG1  ILE  22          1HG1      ILE  22   1.186   0.531  -2.898
  168   1HG2  ILE  22          1HG2      ILE  22   2.708  -2.306  -2.848
  169   2HG2  ILE  22          2HG2      ILE  22   4.285  -1.577  -3.082
  170   3HG2  ILE  22          3HG2      ILE  22   2.909  -0.990  -3.992
  171   1HD1  ILE  22          1HD       ILE  22   0.620  -1.618  -0.813
  172   2HD1  ILE  22          2HD       ILE  22   0.585  -1.862  -2.552
  173   3HD1  ILE  22          3HD       ILE  22  -0.571  -0.789  -1.794
  174    H    LYS  23           H        LYS  23   5.365   0.476  -0.856
  175    HA   LYS  23           HA       LYS  23   7.304  -1.424  -1.628
  176   1HB   LYS  23          1HB       LYS  23   7.672   1.300  -0.294
  177   2HB   LYS  23          2HB       LYS  23   8.955   0.430  -1.105
  178   1HG   LYS  23          2HG       LYS  23   6.342   1.283  -2.462
  179   2HG   LYS  23          1HG       LYS  23   7.803   2.231  -2.514
  180   1HD   LYS  23          2HD       LYS  23   7.657  -0.645  -3.538
  181   2HD   LYS  23          1HD       LYS  23   7.379   0.748  -4.549
  182   1HE   LYS  23          2HE       LYS  23   9.663   1.612  -3.970
  183   2HE   LYS  23          1HE       LYS  23   9.957   0.153  -3.033
  184   1HZ   LYS  23          1HZ       LYS  23   9.010  -0.605  -5.547
  185   2HZ   LYS  23          2HZ       LYS  23  10.543  -0.875  -4.867
  186   3HZ   LYS  23          3HZ       LYS  23  10.253   0.529  -5.772
  187    H    THR  24           H        THR  24   6.689  -0.278   1.656
  188    HA   THR  24           HA       THR  24   8.928  -1.901   2.645
  189    HB   THR  24           HB       THR  24   8.278  -0.895   4.905
  190    HG1  THR  24           HG1      THR  24   6.046  -0.496   3.404
  191   1HG2  THR  24          1HG2      THR  24   8.290   1.160   2.611
  192   2HG2  THR  24          2HG2      THR  24   9.749   0.439   3.280
  193   3HG2  THR  24          3HG2      THR  24   8.737   1.469   4.277
  194    H    LYS  25           H        LYS  25   5.498  -2.176   2.724
  195    HA   LYS  25           HA       LYS  25   5.592  -4.525   4.515
  196   1HB   LYS  25          1HB       LYS  25   3.281  -2.986   3.248
  197   2HB   LYS  25          2HB       LYS  25   3.053  -4.384   4.291
  198   1HG   LYS  25          2HG       LYS  25   4.536  -1.857   5.133
  199   2HG   LYS  25          1HG       LYS  25   2.845  -2.158   5.478
  200   1HD   LYS  25          2HD       LYS  25   3.486  -4.264   6.696
  201   2HD   LYS  25          1HD       LYS  25   5.178  -3.873   6.446
  202   1HE   LYS  25          2HE       LYS  25   4.918  -1.769   7.693
  203   2HE   LYS  25          1HE       LYS  25   3.206  -2.098   7.921
  204   1HZ   LYS  25          1HZ       LYS  25   3.698  -3.292   9.673
  205   2HZ   LYS  25          2HZ       LYS  25   5.352  -2.973   9.458
  206   3HZ   LYS  25          3HZ       LYS  25   4.650  -4.343   8.741
  207    H    HIS  26           H        HIS  26   5.299  -3.768   1.163
  208    HA   HIS  26           HA       HIS  26   4.960  -6.686   0.560
  209   1HB   HIS  26          1HB       HIS  26   3.761  -4.392  -1.056
  210   2HB   HIS  26          2HB       HIS  26   3.555  -6.107  -1.351
  211    HD1  HIS  26           HD1      HIS  26   2.641  -7.258   1.159
  212    HD2  HIS  26           HD2      HIS  26   1.586  -3.421   0.236
  213    HE1  HIS  26           HE1      HIS  26   0.637  -6.748   2.517
  214    H    SER  27           H        SER  27   7.327  -5.035   0.781
  215    HA   SER  27           HA       SER  27   8.714  -4.078  -1.286
  216   1HB   SER  27          2HB       SER  27   9.703  -4.556   0.952
  217   2HB   SER  27          1HB       SER  27   9.794  -6.273   0.536
  218    HG   SER  27           HG       SER  27  11.503  -5.841  -0.577
  219    H    LYS  28           H        LYS  28   7.954  -7.492  -1.113
  220    HA   LYS  28           HA       LYS  28   9.481  -8.063  -3.597
  221   1HB   LYS  28          1HB       LYS  28   7.863 -10.072  -1.992
  222   2HB   LYS  28          2HB       LYS  28   9.258 -10.375  -3.017
  223   1HG   LYS  28          2HG       LYS  28   9.326  -8.881  -0.349
  224   2HG   LYS  28          1HG       LYS  28   9.793 -10.540  -0.589
  225   1HD   LYS  28          2HD       LYS  28  11.146  -8.243  -2.063
  226   2HD   LYS  28          1HD       LYS  28  11.699  -8.835  -0.514
  227   1HE   LYS  28          2HE       LYS  28  11.451 -10.591  -3.001
  228   2HE   LYS  28          1HE       LYS  28  12.944  -9.885  -2.409
  229   1HZ   LYS  28          1HZ       LYS  28  11.703 -11.165  -0.265
  230   2HZ   LYS  28          2HZ       LYS  28  13.164 -11.557  -1.034
  231   3HZ   LYS  28          3HZ       LYS  28  11.708 -12.245  -1.576
  232    H    GLU  29           H        GLU  29   8.427  -9.348  -5.293
  233    HA   GLU  29           HA       GLU  29   5.573  -8.568  -5.694
  234   1HB   GLU  29          1HB       GLU  29   7.179  -7.427  -7.222
  235   2HB   GLU  29          2HB       GLU  29   7.779  -8.984  -7.752
  236   1HG   GLU  29          2HG       GLU  29   5.496  -9.540  -8.647
  237   2HG   GLU  29          1HG       GLU  29   4.940  -7.946  -8.155
  238    H    LYS  30           H        LYS  30   4.741 -11.985  -6.521
  239    HA   LYS  30           HA       LYS  30   3.884  -9.114  -6.413
  240   1HB   LYS  30          1HB       LYS  30   3.328 -10.279  -8.540
  241   2HB   LYS  30          2HB       LYS  30   2.512 -11.545  -7.632
  242   1HG   LYS  30          2HG       LYS  30   0.909  -9.845  -6.726
  243   2HG   LYS  30          1HG       LYS  30   1.729  -8.596  -7.650
  244   1HD   LYS  30          2HD       LYS  30   1.108  -9.715  -9.762
  245   2HD   LYS  30          1HD       LYS  30   0.386 -11.049  -8.873
  246   1HE   LYS  30          2HE       LYS  30  -1.263  -9.490  -7.848
  247   2HE   LYS  30          1HE       LYS  30  -0.534  -8.145  -8.714
  248   1HZ   LYS  30          1HZ       LYS  30  -1.091 -10.159 -10.560
  249   2HZ   LYS  30          2HZ       LYS  30  -1.787  -8.615 -10.436
  250   3HZ   LYS  30          3HZ       LYS  30  -2.482  -9.928  -9.611
  Start of MODEL   26
    1   1H    LYS   1          1H        LYS   1 -11.807   4.792  -7.550
    2   2H    LYS   1          2H        LYS   1 -11.821   3.595  -6.347
    3   3H    LYS   1          3H        LYS   1 -10.561   4.733  -6.396
    4    HA   LYS   1           HA       LYS   1 -12.950   6.159  -6.278
    5   1HB   LYS   1          2HB       LYS   1 -13.948   4.070  -5.332
    6   2HB   LYS   1          1HB       LYS   1 -12.660   3.972  -4.152
    7   1HG   LYS   1          2HG       LYS   1 -13.435   6.321  -3.333
    8   2HG   LYS   1          1HG       LYS   1 -14.853   6.070  -4.333
    9   1HD   LYS   1          2HD       LYS   1 -15.322   3.937  -3.121
   10   2HD   LYS   1          1HD       LYS   1 -13.908   4.199  -2.119
   11   1HE   LYS   1          2HE       LYS   1 -16.328   6.039  -2.239
   12   2HE   LYS   1          1HE       LYS   1 -15.953   4.910  -0.948
   13   1HZ   LYS   1          1HZ       LYS   1 -15.071   7.528  -1.266
   14   2HZ   LYS   1          2HZ       LYS   1 -13.699   6.545  -1.334
   15   3HZ   LYS   1          3HZ       LYS   1 -14.740   6.445  -0.006
   16    H    THR   2           H        THR   2 -10.922   4.660  -3.858
   17    HA   THR   2           HA       THR   2  -9.513   7.230  -3.279
   18    HB   THR   2           HB       THR   2 -10.526   5.143  -1.237
   19    HG1  THR   2           HG1      THR   2 -11.679   7.208  -2.539
   20   1HG2  THR   2          1HG2      THR   2  -9.461   7.995  -0.819
   21   2HG2  THR   2          2HG2      THR   2  -8.553   6.555  -0.389
   22   3HG2  THR   2          3HG2      THR   2 -10.045   6.917   0.436
   23    H    TYR   3           H        TYR   3  -7.514   6.578  -1.820
   24    HA   TYR   3           HA       TYR   3  -6.006   4.571  -3.372
   25   1HB   TYR   3          1HB       TYR   3  -5.283   6.778  -1.482
   26   2HB   TYR   3          2HB       TYR   3  -4.177   5.429  -1.587
   27    HD1  TYR   3           HD1      TYR   3  -5.976   7.859  -3.909
   28    HD2  TYR   3           HD2      TYR   3  -2.558   5.451  -3.124
   29    HE1  TYR   3           HE1      TYR   3  -4.857   8.764  -5.898
   30    HE2  TYR   3           HE2      TYR   3  -1.455   6.348  -5.098
   31    HH   TYR   3           HH       TYR   3  -1.497   8.198  -6.461
   32    H    GLN   4           H        GLN   4  -6.539   2.615  -2.744
   33    HA   GLN   4           HA       GLN   4  -6.320   1.856   0.152
   34   1HB   GLN   4          1HB       GLN   4  -8.559   1.400  -1.356
   35   2HB   GLN   4          2HB       GLN   4  -7.595   0.044  -1.923
   36   1HG   GLN   4          2HG       GLN   4  -7.213  -0.406   0.701
   37   2HG   GLN   4          1HG       GLN   4  -8.603   0.625   0.874
   38   1HE2  GLN   4          1HE2      GLN   4  -8.845  -1.287  -2.010
   39   2HE2  GLN   4          2HE2      GLN   4  -9.848  -2.487  -1.358
   40    H    CYS   5           H        CYS   5  -5.813  -0.809  -0.175
   41    HA   CYS   5           HA       CYS   5  -3.211  -0.828  -1.649
   42   1HB   CYS   5          1HB       CYS   5  -3.147  -1.197   0.809
   43   2HB   CYS   5          2HB       CYS   5  -4.205  -2.589   0.597
   44    H    GLN   6           H        GLN   6  -2.619  -2.783  -2.723
   45    HA   GLN   6           HA       GLN   6  -4.926  -4.465  -3.660
   46   1HB   GLN   6          1HB       GLN   6  -3.951  -2.719  -5.331
   47   2HB   GLN   6          2HB       GLN   6  -2.490  -3.685  -5.347
   48   1HG   GLN   6          2HG       GLN   6  -3.865  -5.694  -6.079
   49   2HG   GLN   6          1HG       GLN   6  -5.289  -4.673  -6.076
   50   1HE2  GLN   6          2HE2      GLN   6  -2.789  -2.705  -7.222
   51   2HE2  GLN   6          1HE2      GLN   6  -3.014  -2.993  -8.878
   52    H    TYR   7           H        TYR   7  -3.256  -4.866  -1.455
   53    HA   TYR   7           HA       TYR   7  -1.952  -7.444  -2.165
   54   1HB   TYR   7          1HB       TYR   7  -0.774  -5.240  -0.439
   55   2HB   TYR   7          2HB       TYR   7  -0.076  -6.848  -0.598
   56    HD1  TYR   7           HD1      TYR   7   0.484  -7.650  -3.013
   57    HD2  TYR   7           HD2      TYR   7  -0.202  -3.563  -2.033
   58    HE1  TYR   7           HE1      TYR   7   1.621  -6.964  -5.070
   59    HE2  TYR   7           HE2      TYR   7   0.926  -2.882  -4.090
   60    HH   TYR   7           HH       TYR   7   2.202  -5.269  -6.380
   61    H    CYS   8           H        CYS   8  -2.856  -5.314   0.625
   62    HA   CYS   8           HA       CYS   8  -4.001  -7.688   1.969
   63   1HB   CYS   8          1HB       CYS   8  -3.374  -6.540   4.055
   64   2HB   CYS   8          2HB       CYS   8  -1.949  -6.733   3.078
   65    H    GLU   9           H        GLU   9  -4.776  -5.128   3.614
   66    HA   GLU   9           HA       GLU   9  -6.904  -3.978   1.889
   67   1HB   GLU   9          1HB       GLU   9  -7.575  -5.424   4.496
   68   2HB   GLU   9          2HB       GLU   9  -8.717  -4.535   3.507
   69   1HG   GLU   9          2HG       GLU   9  -8.267  -6.116   1.598
   70   2HG   GLU   9          1HG       GLU   9  -7.217  -7.044   2.656
   71    H    LEU  10           H        LEU  10  -4.836  -2.500   2.721
   72    HA   LEU  10           HA       LEU  10  -5.831  -0.944   5.087
   73   1HB   LEU  10          1HB       LEU  10  -3.560  -1.777   5.372
   74   2HB   LEU  10          2HB       LEU  10  -3.049  -1.113   3.821
   75    HG   LEU  10           HG       LEU  10  -4.183   0.803   5.898
   76   1HD1  LEU  10          1HD1      LEU  10  -1.323  -0.271   5.961
   77   2HD1  LEU  10          2HD1      LEU  10  -2.549  -0.603   7.170
   78   3HD1  LEU  10          3HD1      LEU  10  -1.956   1.030   6.950
   79   1HD2  LEU  10          1HD2      LEU  10  -3.440   1.621   3.588
   80   2HD2  LEU  10          2HD2      LEU  10  -1.837   1.017   3.927
   81   3HD2  LEU  10          3HD2      LEU  10  -2.501   2.322   4.886
   82    H    ARG  11           H        ARG  11  -6.061   1.244   4.976
   83    HA   ARG  11           HA       ARG  11  -6.372   2.398   2.229
   84   1HB   ARG  11          1HB       ARG  11  -7.557   3.436   4.838
   85   2HB   ARG  11          2HB       ARG  11  -7.874   4.056   3.239
   86   1HG   ARG  11          2HG       ARG  11  -9.774   2.803   3.570
   87   2HG   ARG  11          1HG       ARG  11  -8.777   1.624   2.754
   88   1HD   ARG  11          2HD       ARG  11  -8.221   0.533   4.879
   89   2HD   ARG  11          1HD       ARG  11  -8.975   1.834   5.792
   90    HE   ARG  11           HE       ARG  11 -10.461  -0.054   4.000
   91   1HH1  ARG  11          1HH1      ARG  11 -10.808   2.728   5.876
   92   2HH1  ARG  11          2HH1      ARG  11 -12.180   2.154   6.762
   93   1HH2  ARG  11          2HH2      ARG  11 -11.974  -1.071   5.451
   94   2HH2  ARG  11          1HH2      ARG  11 -12.845  -0.026   6.525
   95    H    SER  12           H        SER  12  -5.446   4.348   1.773
   96    HA   SER  12           HA       SER  12  -3.432   5.424   3.695
   97   1HB   SER  12          2HB       SER  12  -3.426   5.222   0.641
   98   2HB   SER  12          1HB       SER  12  -2.238   6.159   1.540
   99    HG   SER  12           HG       SER  12  -2.472   3.836   2.770
  100    H    ALA  13           H        ALA  13  -5.672   6.101   1.187
  101    HA   ALA  13           HA       ALA  13  -7.433   7.773   1.275
  102   1HB   ALA  13          1HB       ALA  13  -6.571   8.941   3.368
  103   2HB   ALA  13          2HB       ALA  13  -6.937  10.079   2.091
  104   3HB   ALA  13          3HB       ALA  13  -5.272   9.656   2.428
  105    H    ASP  14           H        ASP  14  -4.136   8.927   0.818
  106    HA   ASP  14           HA       ASP  14  -4.579   9.185  -2.119
  107   1HB   ASP  14          1HB       ASP  14  -4.858  11.442  -1.146
  108   2HB   ASP  14          2HB       ASP  14  -3.326  11.284  -0.301
  109    H    SER  15           H        SER  15  -2.610   9.352  -3.304
  110    HA   SER  15           HA       SER  15  -0.778   7.336  -3.136
  111   1HB   SER  15          2HB       SER  15  -1.096   9.344  -4.914
  112   2HB   SER  15          1HB       SER  15   0.239  10.065  -4.021
  113    HG   SER  15           HG       SER  15   0.790   7.489  -4.397
  114    H    SER  16           H        SER  16  -0.282  10.518  -1.858
  115    HA   SER  16           HA       SER  16   2.079  10.746  -0.744
  116   1HB   SER  16          2HB       SER  16   0.266  12.364  -0.403
  117   2HB   SER  16          1HB       SER  16  -0.516  11.294   0.768
  118    HG   SER  16           HG       SER  16   0.897  11.894   2.191
  119    H    ASN  17           H        ASN  17  -0.297   8.606   0.786
  120    HA   ASN  17           HA       ASN  17   1.759   7.722   2.769
  121   1HB   ASN  17          1HB       ASN  17  -1.284   7.424   2.749
  122   2HB   ASN  17          2HB       ASN  17  -0.237   6.839   4.029
  123   1HD2  ASN  17          2HD2      ASN  17   1.283   9.654   3.180
  124   2HD2  ASN  17          1HD2      ASN  17   0.452  10.733   4.190
  125    H    LEU  18           H        LEU  18  -0.484   6.494   0.314
  126    HA   LEU  18           HA       LEU  18  -0.107   3.738   0.725
  127   1HB   LEU  18          1HB       LEU  18  -1.584   4.858  -1.101
  128   2HB   LEU  18          2HB       LEU  18  -0.112   5.102  -2.033
  129    HG   LEU  18           HG       LEU  18   0.290   2.626  -2.024
  130   1HD1  LEU  18          1HD1      LEU  18  -1.533   1.096  -1.297
  131   2HD1  LEU  18          2HD1      LEU  18  -2.449   2.464  -0.685
  132   3HD1  LEU  18          3HD1      LEU  18  -0.930   2.008   0.066
  133   1HD2  LEU  18          1HD2      LEU  18  -0.930   3.648  -3.915
  134   2HD2  LEU  18          2HD2      LEU  18  -2.455   3.409  -3.070
  135   3HD2  LEU  18          3HD2      LEU  18  -1.523   2.026  -3.597
  136    H    LYS  19           H        LYS  19   2.032   6.095  -0.427
  137    HA   LYS  19           HA       LYS  19   4.166   4.115  -0.932
  138   1HB   LYS  19          1HB       LYS  19   3.911   7.113  -1.559
  139   2HB   LYS  19          2HB       LYS  19   5.406   6.205  -1.728
  140   1HG   LYS  19          2HG       LYS  19   4.209   4.657  -3.334
  141   2HG   LYS  19          1HG       LYS  19   2.776   5.654  -3.187
  142   1HD   LYS  19          2HD       LYS  19   3.953   6.272  -5.230
  143   2HD   LYS  19          1HD       LYS  19   4.071   7.605  -4.101
  144   1HE   LYS  19          2HE       LYS  19   6.280   5.518  -4.356
  145   2HE   LYS  19          1HE       LYS  19   6.243   6.955  -5.360
  146   1HZ   LYS  19          1HZ       LYS  19   7.199   6.682  -2.755
  147   2HZ   LYS  19          2HZ       LYS  19   5.878   7.747  -2.710
  148   3HZ   LYS  19          3HZ       LYS  19   7.189   8.068  -3.740
  149    H    THR  20           H        THR  20   5.344   5.319   2.312
  150    HA   THR  20           HA       THR  20   5.773   3.557  -0.055
  151    HB   THR  20           HB       THR  20   7.790   2.778   1.048
  152    HG1  THR  20           HG1      THR  20   7.681   2.563   3.057
  153   1HG2  THR  20          1HG2      THR  20   8.974   4.846   1.639
  154   2HG2  THR  20          2HG2      THR  20   7.464   5.708   1.859
  155   3HG2  THR  20          3HG2      THR  20   7.950   5.192   0.253
  156    H    HIS  21           H        HIS  21   3.190   3.298   1.721
  157    HA   HIS  21           HA       HIS  21   3.251   1.096   3.388
  158   1HB   HIS  21          1HB       HIS  21   1.132   2.285   2.903
  159   2HB   HIS  21          2HB       HIS  21   1.136   1.729   1.245
  160    HD1  HIS  21           HD1      HIS  21   0.764   0.288   4.688
  161    HD2  HIS  21           HD2      HIS  21   0.215  -0.833   0.796
  162    HE1  HIS  21           HE1      HIS  21  -0.378  -1.902   4.747
  163    H    ILE  22           H        ILE  22   2.659   0.861  -0.080
  164    HA   ILE  22           HA       ILE  22   2.874  -1.949  -0.366
  165    HB   ILE  22           HB       ILE  22   3.594   0.221  -2.409
  166   1HG1  ILE  22          2HG1      ILE  22   0.941  -1.239  -2.061
  167   2HG1  ILE  22          1HG1      ILE  22   1.248   0.329  -1.343
  168   1HG2  ILE  22          1HG2      ILE  22   2.815  -2.704  -2.786
  169   2HG2  ILE  22          2HG2      ILE  22   4.420  -2.054  -3.047
  170   3HG2  ILE  22          3HG2      ILE  22   3.106  -1.568  -4.095
  171   1HD1  ILE  22          1HD       ILE  22   0.098   0.572  -3.499
  172   2HD1  ILE  22          2HD       ILE  22   1.390  -0.270  -4.323
  173   3HD1  ILE  22          3HD       ILE  22   1.697   1.294  -3.585
  174    H    LYS  23           H        LYS  23   5.272   0.338  -1.482
  175    HA   LYS  23           HA       LYS  23   7.472  -1.049  -2.013
  176   1HB   LYS  23          1HB       LYS  23   7.346   1.352  -2.092
  177   2HB   LYS  23          2HB       LYS  23   7.343   1.461  -0.348
  178   1HG   LYS  23          2HG       LYS  23   9.650   0.428  -0.303
  179   2HG   LYS  23          1HG       LYS  23   9.629   0.349  -2.052
  180   1HD   LYS  23          2HD       LYS  23   9.471   2.913  -0.401
  181   2HD   LYS  23          1HD       LYS  23  10.919   2.295  -1.166
  182   1HE   LYS  23          2HE       LYS  23   9.906   2.532  -3.398
  183   2HE   LYS  23          1HE       LYS  23   8.396   3.079  -2.682
  184   1HZ   LYS  23          1HZ       LYS  23  10.646   4.582  -3.321
  185   2HZ   LYS  23          2HZ       LYS  23  10.455   4.633  -1.635
  186   3HZ   LYS  23          3HZ       LYS  23   9.175   5.104  -2.648
  187    H    THR  24           H        THR  24   6.736  -0.256   1.375
  188    HA   THR  24           HA       THR  24   8.956  -1.948   2.278
  189    HB   THR  24           HB       THR  24   7.155  -0.068   3.884
  190    HG1  THR  24           HG1      THR  24   8.353   1.364   2.938
  191   1HG2  THR  24          1HG2      THR  24   9.077  -0.049   5.471
  192   2HG2  THR  24          2HG2      THR  24   9.975  -1.157   4.446
  193   3HG2  THR  24          3HG2      THR  24   8.544  -1.708   5.304
  194    H    LYS  25           H        LYS  25   5.506  -2.162   2.377
  195    HA   LYS  25           HA       LYS  25   5.686  -4.421   4.306
  196   1HB   LYS  25          1HB       LYS  25   3.279  -2.889   3.274
  197   2HB   LYS  25          2HB       LYS  25   3.234  -4.143   4.505
  198   1HG   LYS  25          2HG       LYS  25   4.598  -2.832   6.026
  199   2HG   LYS  25          1HG       LYS  25   4.921  -1.621   4.796
  200   1HD   LYS  25          2HD       LYS  25   2.532  -1.064   4.691
  201   2HD   LYS  25          1HD       LYS  25   2.160  -2.278   5.907
  202   1HE   LYS  25          2HE       LYS  25   2.273  -0.015   6.918
  203   2HE   LYS  25          1HE       LYS  25   3.571  -1.011   7.551
  204   1HZ   LYS  25          1HZ       LYS  25   4.480   0.243   5.220
  205   2HZ   LYS  25          2HZ       LYS  25   5.010   0.461   6.818
  206   3HZ   LYS  25          3HZ       LYS  25   3.750   1.418   6.207
  207    H    HIS  26           H        HIS  26   5.409  -4.017   0.956
  208    HA   HIS  26           HA       HIS  26   4.460  -6.826   0.669
  209   1HB   HIS  26          1HB       HIS  26   3.724  -4.423  -1.025
  210   2HB   HIS  26          2HB       HIS  26   3.275  -6.076  -1.412
  211    HD1  HIS  26           HD1      HIS  26   2.384  -7.111   1.224
  212    HD2  HIS  26           HD2      HIS  26   1.424  -3.306   0.077
  213    HE1  HIS  26           HE1      HIS  26   0.390  -6.469   2.542
  214    H    SER  27           H        SER  27   6.465  -4.329  -0.718
  215    HA   SER  27           HA       SER  27   7.563  -6.217  -2.715
  216   1HB   SER  27          2HB       SER  27   6.998  -3.992  -3.499
  217   2HB   SER  27          1HB       SER  27   8.034  -3.245  -2.283
  218    HG   SER  27           HG       SER  27   9.414  -5.129  -3.614
  219    H    LYS  28           H        LYS  28   9.063  -4.074  -0.275
  220    HA   LYS  28           HA       LYS  28  11.571  -5.577  -0.479
  221   1HB   LYS  28          1HB       LYS  28  11.625  -3.159  -0.484
  222   2HB   LYS  28          2HB       LYS  28  10.710  -3.104   1.023
  223   1HG   LYS  28          2HG       LYS  28  12.530  -4.070   2.249
  224   2HG   LYS  28          1HG       LYS  28  13.435  -4.390   0.786
  225   1HD   LYS  28          2HD       LYS  28  14.324  -2.383   1.904
  226   2HD   LYS  28          1HD       LYS  28  13.660  -1.976   0.345
  227   1HE   LYS  28          2HE       LYS  28  12.080  -1.596   2.924
  228   2HE   LYS  28          1HE       LYS  28  13.114  -0.347   2.255
  229   1HZ   LYS  28          1HZ       LYS  28  11.541   0.223   0.872
  230   2HZ   LYS  28          2HZ       LYS  28  10.490  -0.865   1.613
  231   3HZ   LYS  28          3HZ       LYS  28  11.395  -1.344   0.248
  232    H    GLU  29           H        GLU  29   9.617  -4.510   2.175
  233    HA   GLU  29           HA       GLU  29   8.804  -5.632   4.112
  234   1HB   GLU  29          1HB       GLU  29  10.617  -8.018   3.538
  235   2HB   GLU  29          2HB       GLU  29   9.205  -7.947   4.550
  236   1HG   GLU  29          2HG       GLU  29   9.254  -8.015   1.504
  237   2HG   GLU  29          1HG       GLU  29   8.531  -9.139   2.617
  238    H    LYS  30           H        LYS  30  12.165  -6.071   3.284
  239    HA   LYS  30           HA       LYS  30  13.007  -5.247   6.029
  240   1HB   LYS  30          1HB       LYS  30  14.403  -6.979   3.929
  241   2HB   LYS  30          2HB       LYS  30  15.129  -6.533   5.467
  242   1HG   LYS  30          2HG       LYS  30  12.462  -8.008   5.217
  243   2HG   LYS  30          1HG       LYS  30  13.997  -8.817   5.413
  244   1HD   LYS  30          2HD       LYS  30  14.248  -8.215   7.605
  245   2HD   LYS  30          1HD       LYS  30  13.468  -6.665   7.441
  246   1HE   LYS  30          2HE       LYS  30  12.125  -8.232   8.821
  247   2HE   LYS  30          1HE       LYS  30  11.249  -7.768   7.374
  248   1HZ   LYS  30          1HZ       LYS  30  11.086  -9.878   6.844
  249   2HZ   LYS  30          2HZ       LYS  30  11.958 -10.326   8.231
  250   3HZ   LYS  30          3HZ       LYS  30  12.776 -10.026   6.773
  Start of MODEL   27
    1   1H    LYS   1          1H        LYS   1 -13.662   9.546  -4.574
    2   2H    LYS   1          2H        LYS   1 -13.138   8.556  -3.297
    3   3H    LYS   1          3H        LYS   1 -13.687   7.859  -4.744
    4    HA   LYS   1           HA       LYS   1 -11.651   7.860  -5.542
    5   1HB   LYS   1          2HB       LYS   1 -10.535  10.049  -6.010
    6   2HB   LYS   1          1HB       LYS   1 -12.216  10.048  -6.499
    7   1HG   LYS   1          2HG       LYS   1 -12.904  11.454  -4.755
    8   2HG   LYS   1          1HG       LYS   1 -11.530  11.129  -3.740
    9   1HD   LYS   1          2HD       LYS   1 -10.172  12.237  -5.779
   10   2HD   LYS   1          1HD       LYS   1 -11.744  12.885  -6.205
   11   1HE   LYS   1          2HE       LYS   1 -10.488  14.455  -4.751
   12   2HE   LYS   1          1HE       LYS   1 -11.949  13.897  -3.947
   13   1HZ   LYS   1          1HZ       LYS   1 -10.713  13.141  -2.312
   14   2HZ   LYS   1          2HZ       LYS   1  -9.293  13.643  -3.101
   15   3HZ   LYS   1          3HZ       LYS   1  -9.912  12.077  -3.355
   16    H    THR   2           H        THR   2 -11.316   6.670  -3.478
   17    HA   THR   2           HA       THR   2  -9.359   8.000  -1.644
   18    HB   THR   2           HB       THR   2 -10.936   5.399  -1.189
   19    HG1  THR   2           HG1      THR   2 -11.626   8.012  -1.193
   20   1HG2  THR   2          1HG2      THR   2  -9.600   7.343   0.777
   21   2HG2  THR   2          2HG2      THR   2  -8.920   5.774   0.369
   22   3HG2  THR   2          3HG2      THR   2 -10.454   5.869   1.202
   23    H    TYR   3           H        TYR   3  -7.709   6.491  -0.825
   24    HA   TYR   3           HA       TYR   3  -6.550   4.827  -3.028
   25   1HB   TYR   3          1HB       TYR   3  -5.187   6.531  -0.884
   26   2HB   TYR   3          2HB       TYR   3  -4.317   5.422  -1.929
   27    HD1  TYR   3           HD1      TYR   3  -6.888   8.181  -2.290
   28    HD2  TYR   3           HD2      TYR   3  -3.367   6.353  -3.858
   29    HE1  TYR   3           HE1      TYR   3  -6.781   9.881  -4.025
   30    HE2  TYR   3           HE2      TYR   3  -3.271   8.069  -5.602
   31    HH   TYR   3           HH       TYR   3  -5.705  10.650  -5.788
   32    H    GLN   4           H        GLN   4  -6.979   2.833  -2.567
   33    HA   GLN   4           HA       GLN   4  -6.626   1.777   0.212
   34   1HB   GLN   4          1HB       GLN   4  -8.957   1.721  -1.012
   35   2HB   GLN   4          2HB       GLN   4  -8.239   0.496  -2.048
   36   1HG   GLN   4          2HG       GLN   4  -9.528  -0.559  -0.268
   37   2HG   GLN   4          1HG       GLN   4  -7.839  -0.947  -0.044
   38   1HE2  GLN   4          2HE2      GLN   4  -7.568  -1.035   2.188
   39   2HE2  GLN   4          1HE2      GLN   4  -8.076   0.161   3.279
   40    H    CYS   5           H        CYS   5  -6.049  -0.768  -0.098
   41    HA   CYS   5           HA       CYS   5  -3.689  -0.810  -1.943
   42   1HB   CYS   5          1HB       CYS   5  -3.264  -1.064   0.497
   43   2HB   CYS   5          2HB       CYS   5  -4.264  -2.518   0.466
   44    H    GLN   6           H        GLN   6  -3.107  -2.739  -2.936
   45    HA   GLN   6           HA       GLN   6  -5.350  -4.613  -3.596
   46   1HB   GLN   6          1HB       GLN   6  -4.405  -4.661  -5.922
   47   2HB   GLN   6          2HB       GLN   6  -4.967  -3.073  -5.446
   48   1HG   GLN   6          2HG       GLN   6  -2.670  -2.302  -5.004
   49   2HG   GLN   6          1HG       GLN   6  -2.036  -3.920  -5.271
   50   1HE2  GLN   6          1HE2      GLN   6  -0.853  -3.707  -7.251
   51   2HE2  GLN   6          2HE2      GLN   6  -1.557  -3.105  -8.665
   52    H    TYR   7           H        TYR   7  -3.344  -4.881  -1.587
   53    HA   TYR   7           HA       TYR   7  -2.053  -7.413  -2.488
   54   1HB   TYR   7          1HB       TYR   7  -0.745  -5.189  -0.847
   55   2HB   TYR   7          2HB       TYR   7  -0.004  -6.749  -1.171
   56    HD1  TYR   7           HD1      TYR   7  -0.094  -7.428  -3.799
   57    HD2  TYR   7           HD2      TYR   7  -0.154  -3.436  -2.317
   58    HE1  TYR   7           HE1      TYR   7   0.687  -6.610  -5.967
   59    HE2  TYR   7           HE2      TYR   7   0.631  -2.622  -4.489
   60    HH   TYR   7           HH       TYR   7   1.219  -3.166  -6.571
   61    H    CYS   8           H        CYS   8  -2.875  -5.350   0.261
   62    HA   CYS   8           HA       CYS   8  -3.566  -7.805   1.841
   63   1HB   CYS   8          1HB       CYS   8  -3.124  -6.483   3.843
   64   2HB   CYS   8          2HB       CYS   8  -1.715  -6.591   2.839
   65    H    GLU   9           H        GLU   9  -4.317  -4.386   1.810
   66    HA   GLU   9           HA       GLU   9  -6.625  -3.662   1.040
   67   1HB   GLU   9          1HB       GLU   9  -8.535  -4.388   2.440
   68   2HB   GLU   9          2HB       GLU   9  -7.828  -5.790   1.701
   69   1HG   GLU   9          2HG       GLU   9  -6.528  -6.095   4.005
   70   2HG   GLU   9          1HG       GLU   9  -7.619  -4.884   4.622
   71    H    LEU  10           H        LEU  10  -4.549  -2.451   2.180
   72    HA   LEU  10           HA       LEU  10  -5.451  -1.282   4.766
   73   1HB   LEU  10          1HB       LEU  10  -3.111  -2.007   4.696
   74   2HB   LEU  10          2HB       LEU  10  -2.821  -1.093   3.220
   75    HG   LEU  10           HG       LEU  10  -3.851   0.490   5.580
   76   1HD1  LEU  10          1HD1      LEU  10  -2.171  -0.982   6.651
   77   2HD1  LEU  10          2HD1      LEU  10  -1.602   0.674   6.568
   78   3HD1  LEU  10          3HD1      LEU  10  -0.985  -0.522   5.448
   79   1HD2  LEU  10          1HD2      LEU  10  -2.239   2.150   4.656
   80   2HD2  LEU  10          2HD2      LEU  10  -3.258   1.561   3.359
   81   3HD2  LEU  10          3HD2      LEU  10  -1.626   0.959   3.526
   82    H    ARG  11           H        ARG  11  -5.639   0.930   4.967
   83    HA   ARG  11           HA       ARG  11  -6.407   2.362   2.463
   84   1HB   ARG  11          1HB       ARG  11  -8.162   1.933   4.189
   85   2HB   ARG  11          2HB       ARG  11  -7.224   2.857   5.343
   86   1HG   ARG  11          2HG       ARG  11  -7.414   4.878   3.865
   87   2HG   ARG  11          1HG       ARG  11  -8.408   3.952   2.751
   88   1HD   ARG  11          2HD       ARG  11  -9.062   4.622   5.664
   89   2HD   ARG  11          1HD       ARG  11  -9.892   5.221   4.237
   90    HE   ARG  11           HE       ARG  11 -10.631   2.872   3.798
   91   1HH1  ARG  11          1HH1      ARG  11  -8.742   2.818   6.567
   92   2HH1  ARG  11          2HH1      ARG  11  -9.880   1.947   7.539
   93   1HH2  ARG  11          2HH2      ARG  11 -12.434   2.183   5.169
   94   2HH2  ARG  11          1HH2      ARG  11 -12.000   1.585   6.735
   95    H    SER  12           H        SER  12  -5.489   4.197   1.959
   96    HA   SER  12           HA       SER  12  -3.396   5.374   3.720
   97   1HB   SER  12          2HB       SER  12  -2.368   4.378   1.719
   98   2HB   SER  12          1HB       SER  12  -3.555   5.166   0.665
   99    HG   SER  12           HG       SER  12  -2.438   6.951   2.353
  100    H    ALA  13           H        ALA  13  -5.640   5.986   1.135
  101    HA   ALA  13           HA       ALA  13  -7.368   7.576   0.939
  102   1HB   ALA  13          1HB       ALA  13  -5.943   9.256   3.086
  103   2HB   ALA  13          2HB       ALA  13  -7.291   8.165   3.388
  104   3HB   ALA  13          3HB       ALA  13  -7.500   9.577   2.372
  105    H    ASP  14           H        ASP  14  -3.998   8.421   1.168
  106    HA   ASP  14           HA       ASP  14  -4.244  10.090  -1.280
  107   1HB   ASP  14          1HB       ASP  14  -4.171  11.634   0.630
  108   2HB   ASP  14          2HB       ASP  14  -2.782  10.805   1.293
  109    H    SER  15           H        SER  15  -2.709   9.735  -2.733
  110    HA   SER  15           HA       SER  15  -1.147   7.496  -2.952
  111   1HB   SER  15          2HB       SER  15   0.308   8.886  -4.559
  112   2HB   SER  15          1HB       SER  15  -1.423   9.132  -4.817
  113    HG   SER  15           HG       SER  15   0.422  10.893  -4.012
  114    H    SER  16           H        SER  16  -0.115  10.552  -1.679
  115    HA   SER  16           HA       SER  16   2.436  10.519  -0.983
  116   1HB   SER  16          2HB       SER  16   0.852  12.300  -0.303
  117   2HB   SER  16          1HB       SER  16   0.213  11.260   0.973
  118    HG   SER  16           HG       SER  16   2.905  11.298   1.060
  119    H    ASN  17           H        ASN  17   0.103   8.597   0.857
  120    HA   ASN  17           HA       ASN  17   2.308   7.458   2.494
  121   1HB   ASN  17          1HB       ASN  17   0.517   8.320   3.856
  122   2HB   ASN  17          2HB       ASN  17  -0.718   7.570   2.881
  123   1HD2  ASN  17          1HD2      ASN  17   1.188   7.184   5.678
  124   2HD2  ASN  17          2HD2      ASN  17   0.885   5.536   5.951
  125    H    LEU  18           H        LEU  18  -0.378   6.519   0.354
  126    HA   LEU  18           HA       LEU  18  -0.156   3.741   0.554
  127   1HB   LEU  18          1HB       LEU  18  -1.788   5.061  -1.004
  128   2HB   LEU  18          2HB       LEU  18  -0.436   5.290  -2.106
  129    HG   LEU  18           HG       LEU  18  -0.235   2.764  -2.279
  130   1HD1  LEU  18          1HD1      LEU  18  -1.409   2.166  -0.142
  131   2HD1  LEU  18          2HD1      LEU  18  -2.181   1.403  -1.514
  132   3HD1  LEU  18          3HD1      LEU  18  -2.902   2.829  -0.788
  133   1HD2  LEU  18          1HD2      LEU  18  -2.929   3.945  -3.081
  134   2HD2  LEU  18          2HD2      LEU  18  -2.188   2.514  -3.774
  135   3HD2  LEU  18          3HD2      LEU  18  -1.439   4.082  -4.002
  136    H    LYS  19           H        LYS  19   1.811   5.925  -1.273
  137    HA   LYS  19           HA       LYS  19   3.538   4.303  -2.692
  138   1HB   LYS  19          1HB       LYS  19   3.647   6.777  -2.766
  139   2HB   LYS  19          2HB       LYS  19   4.092   6.851  -1.077
  140   1HG   LYS  19          2HG       LYS  19   6.218   5.463  -1.807
  141   2HG   LYS  19          1HG       LYS  19   5.792   5.951  -3.431
  142   1HD   LYS  19          2HD       LYS  19   6.282   7.836  -1.078
  143   2HD   LYS  19          1HD       LYS  19   7.431   7.511  -2.356
  144   1HE   LYS  19          2HE       LYS  19   4.693   8.798  -2.782
  145   2HE   LYS  19          1HE       LYS  19   6.224   9.648  -2.745
  146   1HZ   LYS  19          1HZ       LYS  19   5.023   8.337  -4.895
  147   2HZ   LYS  19          2HZ       LYS  19   6.480   7.536  -4.543
  148   3HZ   LYS  19          3HZ       LYS  19   6.482   9.206  -4.859
  149    H    THR  20           H        THR  20   4.354   5.620   0.458
  150    HA   THR  20           HA       THR  20   6.494   3.928   1.079
  151    HB   THR  20           HB       THR  20   6.139   4.637   3.473
  152    HG1  THR  20           HG1      THR  20   3.920   6.109   3.001
  153   1HG2  THR  20          1HG2      THR  20   6.969   6.439   1.838
  154   2HG2  THR  20          2HG2      THR  20   6.027   7.087   3.168
  155   3HG2  THR  20          3HG2      THR  20   5.294   6.910   1.583
  156    H    HIS  21           H        HIS  21   3.047   3.503   1.901
  157    HA   HIS  21           HA       HIS  21   3.154   1.251   3.487
  158   1HB   HIS  21          1HB       HIS  21   0.996   2.285   3.018
  159   2HB   HIS  21          2HB       HIS  21   1.118   1.947   1.308
  160    HD1  HIS  21           HD1      HIS  21   1.058  -0.049   4.481
  161    HD2  HIS  21           HD2      HIS  21  -0.021  -0.457   0.566
  162    HE1  HIS  21           HE1      HIS  21  -0.035  -2.259   4.291
  163    H    ILE  22           H        ILE  22   2.616   1.039  -0.002
  164    HA   ILE  22           HA       ILE  22   2.920  -1.708  -0.324
  165    HB   ILE  22           HB       ILE  22   3.672   0.530  -2.267
  166   1HG1  ILE  22          2HG1      ILE  22   1.088  -1.098  -1.998
  167   2HG1  ILE  22          1HG1      ILE  22   1.280   0.505  -1.323
  168   1HG2  ILE  22          1HG2      ILE  22   3.014  -2.411  -2.812
  169   2HG2  ILE  22          2HG2      ILE  22   4.614  -1.702  -2.957
  170   3HG2  ILE  22          3HG2      ILE  22   3.341  -1.202  -4.042
  171   1HD1  ILE  22          1HD       ILE  22   1.685   1.437  -3.577
  172   2HD1  ILE  22          2HD       ILE  22   0.135   0.618  -3.497
  173   3HD1  ILE  22          3HD       ILE  22   1.490  -0.158  -4.290
  174    H    LYS  23           H        LYS  23   5.458   0.686  -0.837
  175    HA   LYS  23           HA       LYS  23   7.586  -1.017  -1.378
  176   1HB   LYS  23          1HB       LYS  23   7.553   1.472  -1.579
  177   2HB   LYS  23          2HB       LYS  23   7.584   1.594   0.165
  178   1HG   LYS  23          2HG       LYS  23   9.841   0.339   0.096
  179   2HG   LYS  23          1HG       LYS  23   9.762   0.467  -1.647
  180   1HD   LYS  23          2HD       LYS  23  11.123   2.312  -0.824
  181   2HD   LYS  23          1HD       LYS  23   9.619   2.968  -1.442
  182   1HE   LYS  23          2HE       LYS  23  10.226   3.994   0.750
  183   2HE   LYS  23          1HE       LYS  23   8.718   3.121   0.900
  184   1HZ   LYS  23          1HZ       LYS  23  10.882   1.379   1.389
  185   2HZ   LYS  23          2HZ       LYS  23   9.624   1.833   2.430
  186   3HZ   LYS  23          3HZ       LYS  23  11.043   2.768   2.347
  187    H    THR  24           H        THR  24   6.681   0.111   1.863
  188    HA   THR  24           HA       THR  24   8.762  -1.477   3.090
  189    HB   THR  24           HB       THR  24   6.529   0.113   4.457
  190    HG1  THR  24           HG1      THR  24   7.499   1.432   3.092
  191   1HG2  THR  24          1HG2      THR  24   8.126  -1.291   5.956
  192   2HG2  THR  24          2HG2      THR  24   8.274   0.441   6.194
  193   3HG2  THR  24          3HG2      THR  24   9.464  -0.416   5.228
  194    H    LYS  25           H        LYS  25   5.314  -1.879   2.938
  195    HA   LYS  25           HA       LYS  25   5.489  -4.258   4.697
  196   1HB   LYS  25          1HB       LYS  25   3.130  -2.718   3.568
  197   2HB   LYS  25          2HB       LYS  25   2.964  -4.179   4.532
  198   1HG   LYS  25          2HG       LYS  25   4.227  -3.105   6.394
  199   2HG   LYS  25          1HG       LYS  25   4.392  -1.640   5.442
  200   1HD   LYS  25          2HD       LYS  25   1.968  -1.350   5.383
  201   2HD   LYS  25          1HD       LYS  25   1.713  -2.876   6.208
  202   1HE   LYS  25          2HE       LYS  25   2.902  -1.958   8.202
  203   2HE   LYS  25          1HE       LYS  25   3.152  -0.439   7.350
  204   1HZ   LYS  25          1HZ       LYS  25   0.438  -1.097   7.199
  205   2HZ   LYS  25          2HZ       LYS  25   1.169   0.212   7.996
  206   3HZ   LYS  25          3HZ       LYS  25   0.933  -1.253   8.816
  207    H    HIS  26           H        HIS  26   5.386  -3.569   1.355
  208    HA   HIS  26           HA       HIS  26   4.787  -6.454   0.809
  209   1HB   HIS  26          1HB       HIS  26   3.941  -4.060  -0.895
  210   2HB   HIS  26          2HB       HIS  26   3.724  -5.743  -1.326
  211    HD1  HIS  26           HD1      HIS  26   2.500  -6.951   1.061
  212    HD2  HIS  26           HD2      HIS  26   1.524  -3.141  -0.038
  213    HE1  HIS  26           HE1      HIS  26   0.306  -6.473   2.089
  214    H    SER  27           H        SER  27   7.276  -4.627   1.017
  215    HA   SER  27           HA       SER  27   8.954  -3.987  -0.765
  216   1HB   SER  27          2HB       SER  27   9.450  -6.446   0.966
  217   2HB   SER  27          1HB       SER  27  10.743  -5.573   0.130
  218    HG   SER  27           HG       SER  27   9.337  -3.714   1.241
  219    H    LYS  28           H        LYS  28   8.322  -7.413  -0.739
  220    HA   LYS  28           HA       LYS  28   9.058  -7.616  -3.650
  221   1HB   LYS  28          1HB       LYS  28   9.304  -9.661  -1.392
  222   2HB   LYS  28          2HB       LYS  28   9.612 -10.048  -3.076
  223   1HG   LYS  28          2HG       LYS  28  11.105  -7.968  -1.425
  224   2HG   LYS  28          1HG       LYS  28  11.706  -9.563  -1.796
  225   1HD   LYS  28          2HD       LYS  28  11.224  -7.272  -3.757
  226   2HD   LYS  28          1HD       LYS  28  12.751  -8.011  -3.335
  227   1HE   LYS  28          2HE       LYS  28  10.512  -9.339  -4.928
  228   2HE   LYS  28          1HE       LYS  28  12.092  -8.859  -5.517
  229   1HZ   LYS  28          1HZ       LYS  28  12.863 -10.812  -4.938
  230   2HZ   LYS  28          2HZ       LYS  28  11.349 -11.258  -4.315
  231   3HZ   LYS  28          3HZ       LYS  28  12.493 -10.506  -3.311
  232    H    GLU  29           H        GLU  29   6.801  -6.778  -3.512
  233    HA   GLU  29           HA       GLU  29   4.408  -7.419  -3.051
  234   1HB   GLU  29          1HB       GLU  29   5.316  -7.644  -5.946
  235   2HB   GLU  29          2HB       GLU  29   3.692  -7.256  -5.427
  236   1HG   GLU  29          2HG       GLU  29   6.211  -5.587  -5.033
  237   2HG   GLU  29          1HG       GLU  29   4.834  -5.187  -6.039
  238    H    LYS  30           H        LYS  30   5.700  -9.572  -5.516
  239    HA   LYS  30           HA       LYS  30   4.177 -11.858  -4.347
  240   1HB   LYS  30          1HB       LYS  30   3.691 -12.538  -6.744
  241   2HB   LYS  30          2HB       LYS  30   2.933 -11.039  -6.191
  242   1HG   LYS  30          2HG       LYS  30   4.756  -9.721  -7.319
  243   2HG   LYS  30          1HG       LYS  30   5.482 -11.219  -7.858
  244   1HD   LYS  30          2HD       LYS  30   4.175 -10.113  -9.652
  245   2HD   LYS  30          1HD       LYS  30   3.543 -11.704  -9.292
  246   1HE   LYS  30          2HE       LYS  30   2.370  -9.139  -8.114
  247   2HE   LYS  30          1HE       LYS  30   1.786  -9.871  -9.598
  248   1HZ   LYS  30          1HZ       LYS  30   0.549 -11.217  -8.414
  249   2HZ   LYS  30          2HZ       LYS  30   1.132 -10.529  -6.974
  250   3HZ   LYS  30          3HZ       LYS  30   1.923 -11.867  -7.660
  Start of MODEL   28
    1   1H    LYS   1          1H        LYS   1 -12.464  10.719  -0.481
    2   2H    LYS   1          2H        LYS   1 -13.261   9.737   0.652
    3   3H    LYS   1          3H        LYS   1 -11.866   9.172  -0.124
    4    HA   LYS   1           HA       LYS   1 -11.233  11.603   1.081
    5   1HB   LYS   1          2HB       LYS   1 -11.656  11.019   3.469
    6   2HB   LYS   1          1HB       LYS   1 -13.139  11.280   2.579
    7   1HG   LYS   1          2HG       LYS   1 -13.472   8.828   2.363
    8   2HG   LYS   1          1HG       LYS   1 -11.985   8.522   3.239
    9   1HD   LYS   1          2HD       LYS   1 -12.951   9.876   5.181
   10   2HD   LYS   1          1HD       LYS   1 -14.469   9.920   4.303
   11   1HE   LYS   1          2HE       LYS   1 -13.027   7.389   5.189
   12   2HE   LYS   1          1HE       LYS   1 -14.444   8.077   5.955
   13   1HZ   LYS   1          1HZ       LYS   1 -14.978   7.811   3.228
   14   2HZ   LYS   1          2HZ       LYS   1 -15.702   7.002   4.532
   15   3HZ   LYS   1          3HZ       LYS   1 -14.330   6.343   3.783
   16    H    THR   2           H        THR   2 -11.217   8.096   1.281
   17    HA   THR   2           HA       THR   2  -8.279   8.134   1.871
   18    HB   THR   2           HB       THR   2  -8.765   5.714   2.741
   19    HG1  THR   2           HG1      THR   2 -10.722   5.128   2.357
   20   1HG2  THR   2          1HG2      THR   2 -10.265   7.974   4.174
   21   2HG2  THR   2          2HG2      THR   2  -8.543   7.676   4.345
   22   3HG2  THR   2          3HG2      THR   2  -9.700   6.475   4.892
   23    H    TYR   3           H        TYR   3  -7.223   6.191   1.247
   24    HA   TYR   3           HA       TYR   3  -7.762   5.374  -1.584
   25   1HB   TYR   3          1HB       TYR   3  -5.178   5.871  -0.036
   26   2HB   TYR   3          2HB       TYR   3  -5.178   4.872  -1.482
   27    HD1  TYR   3           HD1      TYR   3  -6.751   8.190  -0.558
   28    HD2  TYR   3           HD2      TYR   3  -4.373   5.975  -3.306
   29    HE1  TYR   3           HE1      TYR   3  -6.533  10.173  -1.974
   30    HE2  TYR   3           HE2      TYR   3  -4.161   7.954  -4.719
   31    HH   TYR   3           HH       TYR   3  -4.593  10.106  -4.948
   32    H    GLN   4           H        GLN   4  -6.902   3.168  -2.023
   33    HA   GLN   4           HA       GLN   4  -6.970   1.366   0.373
   34   1HB   GLN   4          1HB       GLN   4  -9.200   1.458  -0.837
   35   2HB   GLN   4          2HB       GLN   4  -8.400   0.827  -2.270
   36   1HG   GLN   4          2HG       GLN   4  -7.859  -1.250  -1.158
   37   2HG   GLN   4          1HG       GLN   4  -8.365  -0.643   0.410
   38   1HE2  GLN   4          1HE2      GLN   4  -9.408  -2.841  -1.695
   39   2HE2  GLN   4          2HE2      GLN   4 -11.076  -2.555  -1.676
   40    H    CYS   5           H        CYS   5  -6.032  -0.756  -0.137
   41    HA   CYS   5           HA       CYS   5  -3.744  -0.492  -2.064
   42   1HB   CYS   5          1HB       CYS   5  -3.239  -0.867   0.400
   43   2HB   CYS   5          2HB       CYS   5  -4.101  -2.401   0.269
   44    H    GLN   6           H        GLN   6  -3.249  -2.456  -3.260
   45    HA   GLN   6           HA       GLN   6  -5.628  -4.225  -3.730
   46   1HB   GLN   6          1HB       GLN   6  -4.926  -4.270  -6.145
   47   2HB   GLN   6          2HB       GLN   6  -5.437  -2.689  -5.625
   48   1HG   GLN   6          2HG       GLN   6  -2.501  -3.503  -5.647
   49   2HG   GLN   6          1HG       GLN   6  -3.285  -2.794  -7.039
   50   1HE2  GLN   6          2HE2      GLN   6  -4.881  -1.130  -4.741
   51   2HE2  GLN   6          1HE2      GLN   6  -3.797   0.143  -4.464
   52    H    TYR   7           H        TYR   7  -3.491  -4.596  -1.943
   53    HA   TYR   7           HA       TYR   7  -2.273  -7.109  -2.995
   54   1HB   TYR   7          1HB       TYR   7  -0.857  -5.051  -1.222
   55   2HB   TYR   7          2HB       TYR   7  -0.145  -6.532  -1.843
   56    HD1  TYR   7           HD1      TYR   7  -0.639  -6.747  -4.588
   57    HD2  TYR   7           HD2      TYR   7  -0.159  -3.130  -2.387
   58    HE1  TYR   7           HE1      TYR   7  -0.007  -5.580  -6.636
   59    HE2  TYR   7           HE2      TYR   7   0.467  -1.970  -4.438
   60    HH   TYR   7           HH       TYR   7   0.566  -3.662  -7.559
   61    H    CYS   8           H        CYS   8  -2.911  -5.169  -0.110
   62    HA   CYS   8           HA       CYS   8  -3.530  -7.684   1.402
   63   1HB   CYS   8          1HB       CYS   8  -3.029  -6.394   3.417
   64   2HB   CYS   8          2HB       CYS   8  -1.670  -6.452   2.342
   65    H    GLU   9           H        GLU   9  -4.410  -4.422   0.807
   66    HA   GLU   9           HA       GLU   9  -6.516  -3.472   0.363
   67   1HB   GLU   9          1HB       GLU   9  -7.810  -5.672   2.111
   68   2HB   GLU   9          2HB       GLU   9  -8.633  -4.461   1.172
   69   1HG   GLU   9          2HG       GLU   9  -7.172  -6.896   0.117
   70   2HG   GLU   9          1HG       GLU   9  -8.800  -6.348  -0.200
   71    H    LEU  10           H        LEU  10  -4.795  -2.513   1.879
   72    HA   LEU  10           HA       LEU  10  -5.999  -1.747   4.503
   73   1HB   LEU  10          1HB       LEU  10  -3.690  -2.564   4.667
   74   2HB   LEU  10          2HB       LEU  10  -3.170  -1.525   3.339
   75    HG   LEU  10           HG       LEU  10  -4.375  -0.207   5.796
   76   1HD1  LEU  10          1HD1      LEU  10  -1.481  -1.180   5.596
   77   2HD1  LEU  10          2HD1      LEU  10  -2.689  -1.839   6.683
   78   3HD1  LEU  10          3HD1      LEU  10  -2.146  -0.185   6.879
   79   1HD2  LEU  10          1HD2      LEU  10  -3.672   1.174   3.771
   80   2HD2  LEU  10          2HD2      LEU  10  -2.059   0.527   3.928
   81   3HD2  LEU  10          3HD2      LEU  10  -2.719   1.558   5.182
   82    H    ARG  11           H        ARG  11  -6.336   0.455   4.842
   83    HA   ARG  11           HA       ARG  11  -6.472   2.051   2.331
   84   1HB   ARG  11          1HB       ARG  11  -8.160   2.106   4.872
   85   2HB   ARG  11          2HB       ARG  11  -8.236   3.386   3.683
   86   1HG   ARG  11          2HG       ARG  11 -10.081   1.778   3.301
   87   2HG   ARG  11          1HG       ARG  11  -8.983   1.751   1.942
   88   1HD   ARG  11          2HD       ARG  11  -7.973  -0.368   2.750
   89   2HD   ARG  11          1HD       ARG  11  -8.998  -0.310   4.185
   90    HE   ARG  11           HE       ARG  11 -10.291  -0.291   1.508
   91   1HH1  ARG  11          1HH1      ARG  11 -10.162  -1.651   4.669
   92   2HH1  ARG  11          2HH1      ARG  11 -10.968  -3.106   4.191
   93   1HH2  ARG  11          2HH2      ARG  11 -11.005  -2.296   0.811
   94   2HH2  ARG  11          1HH2      ARG  11 -11.456  -3.477   1.997
   95    H    SER  12           H        SER  12  -5.711   3.994   2.209
   96    HA   SER  12           HA       SER  12  -4.138   5.170   4.474
   97   1HB   SER  12          2HB       SER  12  -3.381   5.162   1.490
   98   2HB   SER  12          1HB       SER  12  -2.408   5.807   2.832
   99    HG   SER  12           HG       SER  12  -1.775   3.862   3.209
  100    H    ALA  13           H        ALA  13  -3.476   7.569   3.257
  101    HA   ALA  13           HA       ALA  13  -6.159   8.850   3.013
  102   1HB   ALA  13          1HB       ALA  13  -4.988  10.920   3.761
  103   2HB   ALA  13          2HB       ALA  13  -3.480  10.026   3.839
  104   3HB   ALA  13          3HB       ALA  13  -4.807   9.606   4.907
  105    H    ASP  14           H        ASP  14  -2.947   8.910   1.540
  106    HA   ASP  14           HA       ASP  14  -4.112  10.083  -0.952
  107   1HB   ASP  14          1HB       ASP  14  -2.859  11.775   0.466
  108   2HB   ASP  14          2HB       ASP  14  -1.408  10.815   0.290
  109    H    SER  15           H        SER  15  -1.866   9.991  -2.500
  110    HA   SER  15           HA       SER  15  -1.481   7.093  -2.937
  111   1HB   SER  15          2HB       SER  15  -2.123   8.538  -4.918
  112   2HB   SER  15          1HB       SER  15  -0.679   9.516  -4.638
  113    HG   SER  15           HG       SER  15  -0.039   6.901  -4.615
  114    H    SER  16           H        SER  16   0.282  10.100  -2.394
  115    HA   SER  16           HA       SER  16   2.943   9.317  -2.533
  116   1HB   SER  16          2HB       SER  16   1.722  11.178  -0.419
  117   2HB   SER  16          1HB       SER  16   3.411  11.171  -0.957
  118    HG   SER  16           HG       SER  16   1.110  11.923  -2.271
  119    H    ASN  17           H        ASN  17   0.738   8.922   0.181
  120    HA   ASN  17           HA       ASN  17   2.749   7.515   1.801
  121   1HB   ASN  17          1HB       ASN  17   0.783   7.238   3.420
  122   2HB   ASN  17          2HB       ASN  17   1.246   8.888   3.065
  123   1HD2  ASN  17          2HD2      ASN  17  -0.622  10.045   3.152
  124   2HD2  ASN  17          1HD2      ASN  17  -2.068   9.653   2.361
  125    H    LEU  18           H        LEU  18   0.188   6.606  -0.438
  126    HA   LEU  18           HA       LEU  18  -0.095   3.893   0.547
  127   1HB   LEU  18          1HB       LEU  18  -1.706   5.035  -1.126
  128   2HB   LEU  18          2HB       LEU  18  -0.462   4.841  -2.353
  129    HG   LEU  18           HG       LEU  18  -0.489   2.323  -1.837
  130   1HD1  LEU  18          1HD1      LEU  18  -1.589   2.419   0.414
  131   2HD1  LEU  18          2HD1      LEU  18  -2.503   1.426  -0.696
  132   3HD1  LEU  18          3HD1      LEU  18  -3.050   3.049  -0.327
  133   1HD2  LEU  18          1HD2      LEU  18  -1.623   3.257  -3.819
  134   2HD2  LEU  18          2HD2      LEU  18  -3.073   3.557  -2.865
  135   3HD2  LEU  18          3HD2      LEU  18  -2.534   1.908  -3.160
  136    H    LYS  19           H        LYS  19   1.809   5.443  -1.962
  137    HA   LYS  19           HA       LYS  19   3.319   3.315  -3.001
  138   1HB   LYS  19          1HB       LYS  19   4.150   6.229  -2.471
  139   2HB   LYS  19          2HB       LYS  19   5.056   5.117  -3.483
  140   1HG   LYS  19          2HG       LYS  19   3.271   4.927  -5.070
  141   2HG   LYS  19          1HG       LYS  19   2.112   5.689  -4.011
  142   1HD   LYS  19          2HD       LYS  19   2.773   7.283  -5.729
  143   2HD   LYS  19          1HD       LYS  19   3.400   7.841  -4.192
  144   1HE   LYS  19          2HE       LYS  19   5.652   6.945  -4.771
  145   2HE   LYS  19          1HE       LYS  19   5.020   6.327  -6.294
  146   1HZ   LYS  19          1HZ       LYS  19   5.973   8.873  -5.716
  147   2HZ   LYS  19          2HZ       LYS  19   4.318   9.019  -6.071
  148   3HZ   LYS  19          3HZ       LYS  19   5.366   8.282  -7.187
  149    H    THR  20           H        THR  20   4.073   5.458  -0.271
  150    HA   THR  20           HA       THR  20   6.412   4.161   0.637
  151    HB   THR  20           HB       THR  20   4.299   5.750   2.237
  152    HG1  THR  20           HG1      THR  20   5.111   6.994   0.629
  153   1HG2  THR  20          1HG2      THR  20   6.234   6.253   3.721
  154   2HG2  THR  20          2HG2      THR  20   7.313   5.327   2.688
  155   3HG2  THR  20          3HG2      THR  20   6.094   4.505   3.650
  156    H    HIS  21           H        HIS  21   3.022   3.678   1.793
  157    HA   HIS  21           HA       HIS  21   3.275   1.702   3.663
  158   1HB   HIS  21          1HB       HIS  21   1.036   2.394   3.180
  159   2HB   HIS  21          2HB       HIS  21   1.185   2.126   1.461
  160    HD1  HIS  21           HD1      HIS  21   1.122  -0.016   4.554
  161    HD2  HIS  21           HD2      HIS  21   0.098  -0.228   0.607
  162    HE1  HIS  21           HE1      HIS  21   0.029  -2.207   4.237
  163    H    ILE  22           H        ILE  22   2.904   1.094   0.214
  164    HA   ILE  22           HA       ILE  22   3.459  -1.645   0.100
  165    HB   ILE  22           HB       ILE  22   4.128   0.529  -1.964
  166   1HG1  ILE  22          2HG1      ILE  22   1.691  -1.307  -1.764
  167   2HG1  ILE  22          1HG1      ILE  22   1.677   0.321  -1.147
  168   1HG2  ILE  22          1HG2      ILE  22   3.776  -2.482  -2.322
  169   2HG2  ILE  22          2HG2      ILE  22   5.312  -1.639  -2.418
  170   3HG2  ILE  22          3HG2      ILE  22   4.078  -1.341  -3.618
  171   1HD1  ILE  22          1HD       ILE  22   2.158  -0.458  -4.064
  172   2HD1  ILE  22          2HD       ILE  22   2.204   1.184  -3.443
  173   3HD1  ILE  22          3HD       ILE  22   0.708   0.265  -3.396
  174    H    LYS  23           H        LYS  23   5.802   0.961  -0.573
  175    HA   LYS  23           HA       LYS  23   8.185  -0.244  -0.870
  176   1HB   LYS  23          1HB       LYS  23   7.935   2.213  -0.754
  177   2HB   LYS  23          2HB       LYS  23   7.713   2.136   0.972
  178   1HG   LYS  23          2HG       LYS  23   9.985   2.814   0.502
  179   2HG   LYS  23          1HG       LYS  23   9.980   1.267   1.315
  180   1HD   LYS  23          2HD       LYS  23  10.356   0.092  -0.844
  181   2HD   LYS  23          1HD       LYS  23  10.292   1.625  -1.706
  182   1HE   LYS  23          2HE       LYS  23  12.267   2.424  -0.418
  183   2HE   LYS  23          1HE       LYS  23  12.338   0.896   0.439
  184   1HZ   LYS  23          1HZ       LYS  23  13.502   0.062  -1.206
  185   2HZ   LYS  23          2HZ       LYS  23  13.428   1.544  -2.031
  186   3HZ   LYS  23          3HZ       LYS  23  12.239   0.363  -2.302
  187    H    THR  24           H        THR  24   6.811   0.353   2.309
  188    HA   THR  24           HA       THR  24   8.680  -1.678   3.457
  189    HB   THR  24           HB       THR  24   7.429   0.710   4.947
  190    HG1  THR  24           HG1      THR  24  10.084   0.735   4.383
  191   1HG2  THR  24          1HG2      THR  24   8.446  -1.206   6.414
  192   2HG2  THR  24          2HG2      THR  24   9.301   0.316   6.534
  193   3HG2  THR  24          3HG2      THR  24   9.944  -0.974   5.533
  194    H    LYS  25           H        LYS  25   6.414  -2.706   2.422
  195    HA   LYS  25           HA       LYS  25   5.298  -4.077   4.758
  196   1HB   LYS  25          1HB       LYS  25   3.442  -2.483   2.887
  197   2HB   LYS  25          2HB       LYS  25   2.887  -3.756   3.961
  198   1HG   LYS  25          2HG       LYS  25   4.260  -1.242   4.962
  199   2HG   LYS  25          1HG       LYS  25   2.538  -1.482   4.896
  200   1HD   LYS  25          2HD       LYS  25   2.649  -3.428   6.383
  201   2HD   LYS  25          1HD       LYS  25   4.397  -3.309   6.469
  202   1HE   LYS  25          2HE       LYS  25   2.503  -1.097   7.381
  203   2HE   LYS  25          1HE       LYS  25   3.284  -2.252   8.450
  204   1HZ   LYS  25          1HZ       LYS  25   5.032  -0.945   8.491
  205   2HZ   LYS  25          2HZ       LYS  25   4.327   0.110   7.357
  206   3HZ   LYS  25          3HZ       LYS  25   5.261  -1.204   6.836
  207    H    HIS  26           H        HIS  26   5.373  -3.601   1.342
  208    HA   HIS  26           HA       HIS  26   4.844  -6.505   0.847
  209   1HB   HIS  26          1HB       HIS  26   4.201  -4.143  -0.954
  210   2HB   HIS  26          2HB       HIS  26   3.890  -5.823  -1.355
  211    HD1  HIS  26           HD1      HIS  26   2.499  -6.858   1.041
  212    HD2  HIS  26           HD2      HIS  26   1.787  -3.052  -0.268
  213    HE1  HIS  26           HE1      HIS  26   0.312  -6.219   1.947
  214    H    SER  27           H        SER  27   6.690  -3.710  -0.184
  215    HA   SER  27           HA       SER  27   8.539  -5.516  -1.691
  216   1HB   SER  27          2HB       SER  27   9.099  -3.378  -3.001
  217   2HB   SER  27          1HB       SER  27   7.414  -3.883  -3.157
  218    HG   SER  27           HG       SER  27   8.443  -1.681  -2.002
  219    H    LYS  28           H        LYS  28   8.972  -5.521   0.909
  220    HA   LYS  28           HA       LYS  28  11.494  -3.935   1.267
  221   1HB   LYS  28          1HB       LYS  28   9.422  -3.280   2.701
  222   2HB   LYS  28          2HB       LYS  28   9.639  -4.781   3.572
  223   1HG   LYS  28          2HG       LYS  28  11.719  -2.582   3.285
  224   2HG   LYS  28          1HG       LYS  28  10.761  -2.878   4.710
  225   1HD   LYS  28          2HD       LYS  28  12.843  -4.805   3.564
  226   2HD   LYS  28          1HD       LYS  28  13.043  -3.787   4.962
  227   1HE   LYS  28          2HE       LYS  28  10.941  -5.990   4.797
  228   2HE   LYS  28          1HE       LYS  28  12.477  -6.113   5.633
  229   1HZ   LYS  28          1HZ       LYS  28  10.091  -5.018   6.548
  230   2HZ   LYS  28          2HZ       LYS  28  11.222  -3.752   6.444
  231   3HZ   LYS  28          3HZ       LYS  28  11.581  -5.134   7.362
  232    H    GLU  29           H        GLU  29   9.667  -6.415   2.767
  233    HA   GLU  29           HA       GLU  29  10.852  -8.298   3.947
  234   1HB   GLU  29          1HB       GLU  29   9.415  -8.867   1.324
  235   2HB   GLU  29          2HB       GLU  29   9.832 -10.136   2.453
  236   1HG   GLU  29          2HG       GLU  29   7.485  -9.437   2.790
  237   2HG   GLU  29          1HG       GLU  29   8.444  -9.093   4.215
  238    H    LYS  30           H        LYS  30  13.123  -7.886   3.759
  239    HA   LYS  30           HA       LYS  30  14.444  -9.416   1.543
  240   1HB   LYS  30          1HB       LYS  30  14.946  -6.819   2.100
  241   2HB   LYS  30          2HB       LYS  30  15.981  -7.533   3.328
  242   1HG   LYS  30          2HG       LYS  30  16.571  -9.038   1.015
  243   2HG   LYS  30          1HG       LYS  30  16.315  -7.431   0.389
  244   1HD   LYS  30          2HD       LYS  30  18.281  -8.216   2.576
  245   2HD   LYS  30          1HD       LYS  30  18.682  -7.799   0.926
  246   1HE   LYS  30          2HE       LYS  30  17.785  -5.475   1.315
  247   2HE   LYS  30          1HE       LYS  30  17.495  -5.898   2.998
  248   1HZ   LYS  30          1HZ       LYS  30  19.579  -5.458   3.449
  249   2HZ   LYS  30          2HZ       LYS  30  19.860  -5.031   1.827
  250   3HZ   LYS  30          3HZ       LYS  30  20.105  -6.630   2.342
  Start of MODEL   29
    1   1H    LYS   1          1H        LYS   1  -7.377  12.501  -1.266
    2   2H    LYS   1          2H        LYS   1  -8.802  13.415  -1.157
    3   3H    LYS   1          3H        LYS   1  -8.152  13.036  -2.678
    4    HA   LYS   1           HA       LYS   1 -10.004  11.578  -1.166
    5   1HB   LYS   1          2HB       LYS   1 -10.188  10.293  -3.239
    6   2HB   LYS   1          1HB       LYS   1  -9.907  11.961  -3.687
    7   1HG   LYS   1          2HG       LYS   1  -7.421  11.425  -3.888
    8   2HG   LYS   1          1HG       LYS   1  -7.814   9.740  -3.603
    9   1HD   LYS   1          2HD       LYS   1  -9.372   9.835  -5.604
   10   2HD   LYS   1          1HD       LYS   1  -8.765  11.453  -5.916
   11   1HE   LYS   1          2HE       LYS   1  -7.506   9.833  -7.280
   12   2HE   LYS   1          1HE       LYS   1  -6.431  10.525  -6.075
   13   1HZ   LYS   1          1HZ       LYS   1  -7.660   8.264  -4.953
   14   2HZ   LYS   1          2HZ       LYS   1  -6.029   8.519  -5.322
   15   3HZ   LYS   1          3HZ       LYS   1  -7.066   7.848  -6.487
   16    H    THR   2           H        THR   2  -9.797   9.015  -1.395
   17    HA   THR   2           HA       THR   2  -7.243   8.281   0.006
   18    HB   THR   2           HB       THR   2  -8.592   6.332   0.947
   19    HG1  THR   2           HG1      THR   2 -10.163   7.155  -1.077
   20   1HG2  THR   2          1HG2      THR   2  -8.762   8.578   2.196
   21   2HG2  THR   2          2HG2      THR   2 -10.210   7.591   2.319
   22   3HG2  THR   2          3HG2      THR   2 -10.174   8.945   1.205
   23    H    TYR   3           H        TYR   3  -6.551   6.094  -0.381
   24    HA   TYR   3           HA       TYR   3  -7.046   5.073  -3.156
   25   1HB   TYR   3          1HB       TYR   3  -4.270   4.986  -1.867
   26   2HB   TYR   3          2HB       TYR   3  -4.711   4.792  -3.558
   27    HD1  TYR   3           HD1      TYR   3  -4.969   7.446  -0.891
   28    HD2  TYR   3           HD2      TYR   3  -4.164   6.556  -4.986
   29    HE1  TYR   3           HE1      TYR   3  -4.474   9.789  -1.311
   30    HE2  TYR   3           HE2      TYR   3  -3.658   8.921  -5.387
   31    HH   TYR   3           HH       TYR   3  -3.526  11.240  -2.741
   32    H    GLN   4           H        GLN   4  -6.257   2.690  -3.235
   33    HA   GLN   4           HA       GLN   4  -6.511   1.426  -0.518
   34   1HB   GLN   4          1HB       GLN   4  -8.642   1.230  -1.896
   35   2HB   GLN   4          2HB       GLN   4  -7.729   0.335  -3.107
   36   1HG   GLN   4          2HG       GLN   4  -7.232  -1.460  -1.524
   37   2HG   GLN   4          1HG       GLN   4  -7.839  -0.511  -0.172
   38   1HE2  GLN   4          1HE2      GLN   4  -9.748  -1.307   0.513
   39   2HE2  GLN   4          2HE2      GLN   4 -10.975  -1.950  -0.466
   40    H    CYS   5           H        CYS   5  -5.639  -0.791  -0.505
   41    HA   CYS   5           HA       CYS   5  -3.058  -0.878  -1.942
   42   1HB   CYS   5          1HB       CYS   5  -3.022  -1.153   0.488
   43   2HB   CYS   5          2HB       CYS   5  -4.164  -2.486   0.366
   44    H    GLN   6           H        GLN   6  -5.403  -3.351  -0.996
   45    HA   GLN   6           HA       GLN   6  -6.550  -4.941  -2.287
   46   1HB   GLN   6          1HB       GLN   6  -5.997  -3.473  -4.395
   47   2HB   GLN   6          2HB       GLN   6  -4.603  -4.518  -4.613
   48   1HG   GLN   6          2HG       GLN   6  -6.139  -6.516  -4.677
   49   2HG   GLN   6          1HG       GLN   6  -7.505  -5.416  -4.564
   50   1HE2  GLN   6          1HE2      GLN   6  -5.468  -7.002  -6.731
   51   2HE2  GLN   6          2HE2      GLN   6  -5.794  -6.077  -8.113
   52    H    TYR   7           H        TYR   7  -3.279  -4.832  -1.473
   53    HA   TYR   7           HA       TYR   7  -2.739  -7.664  -2.194
   54   1HB   TYR   7          1HB       TYR   7  -0.949  -5.725  -0.660
   55   2HB   TYR   7          2HB       TYR   7  -0.468  -7.255  -1.380
   56    HD1  TYR   7           HD1      TYR   7  -1.498  -7.268  -4.069
   57    HD2  TYR   7           HD2      TYR   7  -0.009  -3.938  -1.838
   58    HE1  TYR   7           HE1      TYR   7  -0.958  -6.094  -6.149
   59    HE2  TYR   7           HE2      TYR   7   0.516  -2.791  -3.919
   60    HH   TYR   7           HH       TYR   7  -0.506  -3.989  -7.012
   61    H    CYS   8           H        CYS   8  -2.931  -5.633   0.691
   62    HA   CYS   8           HA       CYS   8  -3.308  -8.091   2.371
   63   1HB   CYS   8          1HB       CYS   8  -2.512  -6.751   4.234
   64   2HB   CYS   8          2HB       CYS   8  -1.343  -6.712   2.947
   65    H    GLU   9           H        GLU   9  -4.558  -5.152   1.270
   66    HA   GLU   9           HA       GLU   9  -6.791  -4.472   1.043
   67   1HB   GLU   9          1HB       GLU   9  -7.509  -6.063   3.570
   68   2HB   GLU   9          2HB       GLU   9  -8.605  -5.339   2.431
   69   1HG   GLU   9          2HG       GLU   9  -7.008  -7.897   2.073
   70   2HG   GLU   9          1HG       GLU   9  -8.710  -7.617   1.876
   71    H    LEU  10           H        LEU  10  -4.941  -2.945   1.924
   72    HA   LEU  10           HA       LEU  10  -5.901  -1.569   4.403
   73   1HB   LEU  10          1HB       LEU  10  -3.419  -2.291   4.195
   74   2HB   LEU  10          2HB       LEU  10  -3.289  -1.130   2.879
   75    HG   LEU  10           HG       LEU  10  -4.206   0.601   4.671
   76   1HD1  LEU  10          1HD1      LEU  10  -3.564   0.033   6.974
   77   2HD1  LEU  10          2HD1      LEU  10  -3.068  -1.568   6.458
   78   3HD1  LEU  10          3HD1      LEU  10  -4.763  -1.106   6.378
   79   1HD2  LEU  10          1HD2      LEU  10  -1.926   1.108   5.358
   80   2HD2  LEU  10          2HD2      LEU  10  -1.979   0.718   3.651
   81   3HD2  LEU  10          3HD2      LEU  10  -1.382  -0.469   4.807
   82    H    ARG  11           H        ARG  11  -5.909   0.816   4.257
   83    HA   ARG  11           HA       ARG  11  -6.466   1.855   1.509
   84   1HB   ARG  11          1HB       ARG  11  -8.492   1.445   3.141
   85   2HB   ARG  11          2HB       ARG  11  -7.873   2.836   4.019
   86   1HG   ARG  11          2HG       ARG  11  -8.057   4.229   1.928
   87   2HG   ARG  11          1HG       ARG  11  -8.627   2.819   1.055
   88   1HD   ARG  11          2HD       ARG  11 -10.543   2.690   2.765
   89   2HD   ARG  11          1HD       ARG  11 -10.064   4.308   3.271
   90    HE   ARG  11           HE       ARG  11 -10.503   5.062   0.912
   91   1HH1  ARG  11          2HH2      ARG  11 -10.753   1.869   0.511
   92   2HH1  ARG  11          1HH2      ARG  11 -12.401   1.827  -0.026
   93   1HH2  ARG  11          1HH1      ARG  11 -12.988   5.156   0.908
   94   2HH2  ARG  11          2HH1      ARG  11 -13.696   3.739   0.204
   95    H    SER  12           H        SER  12  -6.003   4.134   1.336
   96    HA   SER  12           HA       SER  12  -3.985   5.167   3.285
   97   1HB   SER  12          2HB       SER  12  -3.972   5.445   0.240
   98   2HB   SER  12          1HB       SER  12  -2.751   6.114   1.328
   99    HG   SER  12           HG       SER  12  -3.230   3.529   1.919
  100    H    ALA  13           H        ALA  13  -3.568   7.540   2.826
  101    HA   ALA  13           HA       ALA  13  -6.180   8.999   2.698
  102   1HB   ALA  13          1HB       ALA  13  -5.132  10.634   4.256
  103   2HB   ALA  13          2HB       ALA  13  -3.654   9.682   4.258
  104   3HB   ALA  13          3HB       ALA  13  -5.126   9.021   4.947
  105    H    ASP  14           H        ASP  14  -2.709   9.310   2.055
  106    HA   ASP  14           HA       ASP  14  -3.329  11.231  -0.168
  107   1HB   ASP  14          1HB       ASP  14  -2.259  12.274   1.874
  108   2HB   ASP  14          2HB       ASP  14  -0.883  11.219   1.646
  109    H    SER  15           H        SER  15  -1.725  11.230  -1.894
  110    HA   SER  15           HA       SER  15  -1.269   8.724  -3.069
  111   1HB   SER  15          2HB       SER  15   0.411  10.019  -4.530
  112   2HB   SER  15          1HB       SER  15  -1.125  10.869  -4.341
  113    HG   SER  15           HG       SER  15   1.315  11.585  -3.492
  114    H    SER  16           H        SER  16   0.899  10.720  -1.211
  115    HA   SER  16           HA       SER  16   3.238   9.147  -1.195
  116   1HB   SER  16          2HB       SER  16   2.213  10.907   1.104
  117   2HB   SER  16          1HB       SER  16   3.908  10.538   0.732
  118    HG   SER  16           HG       SER  16   2.026  11.991  -0.767
  119    H    ASN  17           H        ASN  17   0.652   9.348   1.215
  120    HA   ASN  17           HA       ASN  17   1.321   7.458   3.079
  121   1HB   ASN  17          1HB       ASN  17  -0.750   8.831   3.106
  122   2HB   ASN  17          2HB       ASN  17  -1.458   7.833   1.854
  123   1HD2  ASN  17          2HD2      ASN  17  -1.713   8.336   5.021
  124   2HD2  ASN  17          1HD2      ASN  17  -2.115   6.774   5.561
  125    H    LEU  18           H        LEU  18  -0.450   6.722   0.121
  126    HA   LEU  18           HA       LEU  18  -0.372   3.874   0.465
  127   1HB   LEU  18          1HB       LEU  18  -1.973   5.061  -1.140
  128   2HB   LEU  18          2HB       LEU  18  -0.604   5.486  -2.159
  129    HG   LEU  18           HG       LEU  18  -0.135   2.948  -2.347
  130   1HD1  LEU  18          1HD1      LEU  18  -2.037   1.442  -1.854
  131   2HD1  LEU  18          2HD1      LEU  18  -2.945   2.778  -1.173
  132   3HD1  LEU  18          3HD1      LEU  18  -1.485   2.214  -0.376
  133   1HD2  LEU  18          1HD2      LEU  18  -1.166   4.198  -4.187
  134   2HD2  LEU  18          2HD2      LEU  18  -2.753   3.974  -3.473
  135   3HD2  LEU  18          3HD2      LEU  18  -1.850   2.590  -4.073
  136    H    LYS  19           H        LYS  19   1.551   5.887  -1.739
  137    HA   LYS  19           HA       LYS  19   3.264   4.083  -2.866
  138   1HB   LYS  19          1HB       LYS  19   3.290   6.617  -3.124
  139   2HB   LYS  19          2HB       LYS  19   4.197   6.702  -1.627
  140   1HG   LYS  19          2HG       LYS  19   5.947   5.162  -2.707
  141   2HG   LYS  19          1HG       LYS  19   5.043   5.292  -4.199
  142   1HD   LYS  19          2HD       LYS  19   6.834   6.911  -4.312
  143   2HD   LYS  19          1HD       LYS  19   5.334   7.797  -4.130
  144   1HE   LYS  19          2HE       LYS  19   7.092   8.711  -2.634
  145   2HE   LYS  19          1HE       LYS  19   5.785   8.054  -1.671
  146   1HZ   LYS  19          1HZ       LYS  19   8.473   7.382  -1.610
  147   2HZ   LYS  19          2HZ       LYS  19   7.655   6.023  -2.214
  148   3HZ   LYS  19          3HZ       LYS  19   7.204   6.688  -0.716
  149    H    THR  20           H        THR  20   3.830   5.618   0.249
  150    HA   THR  20           HA       THR  20   6.155   4.175   0.998
  151    HB   THR  20           HB       THR  20   5.502   4.932   3.397
  152    HG1  THR  20           HG1      THR  20   3.360   6.029   1.924
  153   1HG2  THR  20          1HG2      THR  20   5.574   7.365   2.932
  154   2HG2  THR  20          2HG2      THR  20   5.106   7.113   1.262
  155   3HG2  THR  20          3HG2      THR  20   6.684   6.579   1.822
  156    H    HIS  21           H        HIS  21   2.709   3.584   2.037
  157    HA   HIS  21           HA       HIS  21   3.098   1.339   3.586
  158   1HB   HIS  21          1HB       HIS  21   0.815   2.169   3.238
  159   2HB   HIS  21          2HB       HIS  21   0.885   1.855   1.518
  160    HD1  HIS  21           HD1      HIS  21   1.572  -0.305   4.537
  161    HD2  HIS  21           HD2      HIS  21  -0.420  -0.506   0.974
  162    HE1  HIS  21           HE1      HIS  21   0.611  -2.582   4.401
  163    H    ILE  22           H        ILE  22   2.558   1.226   0.089
  164    HA   ILE  22           HA       ILE  22   3.075  -1.479  -0.396
  165    HB   ILE  22           HB       ILE  22   3.430   1.031  -2.096
  166   1HG1  ILE  22          2HG1      ILE  22   1.590   0.087  -3.417
  167   2HG1  ILE  22          1HG1      ILE  22   1.666  -1.417  -2.529
  168   1HG2  ILE  22          1HG2      ILE  22   3.907  -0.371  -4.092
  169   2HG2  ILE  22          2HG2      ILE  22   4.033  -1.800  -3.077
  170   3HG2  ILE  22          3HG2      ILE  22   5.206  -0.498  -2.936
  171   1HD1  ILE  22          1HD       ILE  22   0.921  -0.267  -0.493
  172   2HD1  ILE  22          2HD       ILE  22  -0.231  -0.058  -1.788
  173   3HD1  ILE  22          3HD       ILE  22   0.849   1.260  -1.352
  174    H    LYS  23           H        LYS  23   5.512   1.044  -1.066
  175    HA   LYS  23           HA       LYS  23   7.726  -0.502  -1.395
  176   1HB   LYS  23          1HB       LYS  23   7.442   2.225  -0.064
  177   2HB   LYS  23          2HB       LYS  23   9.017   1.534  -0.410
  178   1HG   LYS  23          2HG       LYS  23   6.863   1.760  -2.554
  179   2HG   LYS  23          1HG       LYS  23   7.995   3.058  -2.244
  180   1HD   LYS  23          2HD       LYS  23   9.869   1.810  -2.956
  181   2HD   LYS  23          1HD       LYS  23   9.103   0.258  -2.735
  182   1HE   LYS  23          2HE       LYS  23   8.315   2.287  -4.874
  183   2HE   LYS  23          1HE       LYS  23   9.290   0.848  -5.148
  184   1HZ   LYS  23          1HZ       LYS  23   6.982   0.089  -3.777
  185   2HZ   LYS  23          2HZ       LYS  23   7.468  -0.319  -5.352
  186   3HZ   LYS  23          3HZ       LYS  23   6.521   1.071  -5.084
  187    H    THR  24           H        THR  24   6.403   0.207   1.757
  188    HA   THR  24           HA       THR  24   8.681  -1.056   3.081
  189    HB   THR  24           HB       THR  24   6.201   0.313   4.244
  190    HG1  THR  24           HG1      THR  24   8.447   1.130   3.019
  191   1HG2  THR  24          1HG2      THR  24   7.475  -1.181   5.934
  192   2HG2  THR  24          2HG2      THR  24   7.585   0.532   6.290
  193   3HG2  THR  24          3HG2      THR  24   8.934  -0.287   5.519
  194    H    LYS  25           H        LYS  25   5.294  -1.844   2.843
  195    HA   LYS  25           HA       LYS  25   5.842  -4.366   4.344
  196   1HB   LYS  25          1HB       LYS  25   3.263  -2.909   3.707
  197   2HB   LYS  25          2HB       LYS  25   3.318  -4.489   4.488
  198   1HG   LYS  25          2HG       LYS  25   4.781  -3.480   6.294
  199   2HG   LYS  25          1HG       LYS  25   4.669  -1.931   5.491
  200   1HD   LYS  25          2HD       LYS  25   3.085  -2.035   7.377
  201   2HD   LYS  25          1HD       LYS  25   2.230  -1.867   5.860
  202   1HE   LYS  25          2HE       LYS  25   1.162  -3.568   7.352
  203   2HE   LYS  25          1HE       LYS  25   1.710  -4.305   5.860
  204   1HZ   LYS  25          1HZ       LYS  25   2.965  -5.663   7.025
  205   2HZ   LYS  25          2HZ       LYS  25   2.393  -4.970   8.466
  206   3HZ   LYS  25          3HZ       LYS  25   3.803  -4.370   7.734
  207    H    HIS  26           H        HIS  26   5.595  -3.435   1.158
  208    HA   HIS  26           HA       HIS  26   4.942  -6.227   0.358
  209   1HB   HIS  26          1HB       HIS  26   3.931  -3.681  -0.956
  210   2HB   HIS  26          2HB       HIS  26   3.739  -5.287  -1.637
  211    HD1  HIS  26           HD1      HIS  26   2.747  -6.884   0.650
  212    HD2  HIS  26           HD2      HIS  26   1.549  -3.004   0.185
  213    HE1  HIS  26           HE1      HIS  26   0.630  -6.664   1.904
  214    H    SER  27           H        SER  27   6.446  -3.252  -0.592
  215    HA   SER  27           HA       SER  27   8.011  -2.697  -2.256
  216   1HB   SER  27          2HB       SER  27  10.177  -3.990  -1.883
  217   2HB   SER  27          1HB       SER  27   9.418  -3.611  -0.335
  218    HG   SER  27           HG       SER  27   9.864  -6.005  -1.478
  219    H    LYS  28           H        LYS  28   6.019  -3.663  -3.402
  220    HA   LYS  28           HA       LYS  28   5.107  -4.686  -5.273
  221   1HB   LYS  28          1HB       LYS  28   7.183  -3.568  -6.288
  222   2HB   LYS  28          2HB       LYS  28   8.051  -5.086  -6.108
  223   1HG   LYS  28          2HG       LYS  28   6.520  -6.244  -7.582
  224   2HG   LYS  28          1HG       LYS  28   5.418  -4.892  -7.622
  225   1HD   LYS  28          2HD       LYS  28   8.257  -4.894  -8.754
  226   2HD   LYS  28          1HD       LYS  28   6.791  -5.068  -9.692
  227   1HE   LYS  28          2HE       LYS  28   7.607  -2.579  -8.104
  228   2HE   LYS  28          1HE       LYS  28   7.520  -2.754  -9.846
  229   1HZ   LYS  28          1HZ       LYS  28   5.042  -3.488  -8.820
  230   2HZ   LYS  28          2HZ       LYS  28   5.431  -2.147  -9.775
  231   3HZ   LYS  28          3HZ       LYS  28   5.484  -2.025  -8.087
  232    H    GLU  29           H        GLU  29   4.716  -6.079  -3.442
  233    HA   GLU  29           HA       GLU  29   4.600  -8.070  -2.266
  234   1HB   GLU  29          1HB       GLU  29   4.439  -8.992  -5.179
  235   2HB   GLU  29          2HB       GLU  29   3.851  -9.921  -3.814
  236   1HG   GLU  29          2HG       GLU  29   2.823  -7.190  -4.713
  237   2HG   GLU  29          1HG       GLU  29   1.973  -8.717  -4.842
  238    H    LYS  30           H        LYS  30   6.416  -9.404  -5.026
  239    HA   LYS  30           HA       LYS  30   8.503 -10.362  -3.090
  240   1HB   LYS  30          1HB       LYS  30   7.338 -11.785  -5.531
  241   2HB   LYS  30          2HB       LYS  30   8.836 -12.281  -4.752
  242   1HG   LYS  30          2HG       LYS  30   7.228 -13.698  -3.776
  243   2HG   LYS  30          1HG       LYS  30   7.533 -12.476  -2.575
  244   1HD   LYS  30          2HD       LYS  30   5.139 -12.928  -2.690
  245   2HD   LYS  30          1HD       LYS  30   5.423 -11.292  -3.211
  246   1HE   LYS  30          2HE       LYS  30   3.811 -12.418  -4.700
  247   2HE   LYS  30          1HE       LYS  30   5.265 -12.075  -5.615
  248   1HZ   LYS  30          1HZ       LYS  30   4.049 -14.530  -5.177
  249   2HZ   LYS  30          2HZ       LYS  30   5.528 -14.573  -4.349
  250   3HZ   LYS  30          3HZ       LYS  30   5.498 -14.221  -6.009
  Start of MODEL   30
    1   1H    LYS   1          1H        LYS   1 -10.485   8.731  -7.907
    2   2H    LYS   1          2H        LYS   1 -10.701   7.651  -9.201
    3   3H    LYS   1          3H        LYS   1  -9.430   8.777  -9.237
    4    HA   LYS   1           HA       LYS   1  -9.436   6.175  -8.239
    5   1HB   LYS   1          2HB       LYS   1  -7.365   8.400  -8.212
    6   2HB   LYS   1          1HB       LYS   1  -6.992   6.748  -7.772
    7   1HG   LYS   1          2HG       LYS   1  -7.617   5.969 -10.028
    8   2HG   LYS   1          1HG       LYS   1  -8.063   7.609 -10.491
    9   1HD   LYS   1          2HD       LYS   1  -5.744   8.378 -10.106
   10   2HD   LYS   1          1HD       LYS   1  -5.281   6.797  -9.506
   11   1HE   LYS   1          2HE       LYS   1  -5.706   5.798 -11.725
   12   2HE   LYS   1          1HE       LYS   1  -6.240   7.356 -12.350
   13   1HZ   LYS   1          1HZ       LYS   1  -4.148   7.859 -12.767
   14   2HZ   LYS   1          2HZ       LYS   1  -3.646   6.353 -12.166
   15   3HZ   LYS   1          3HZ       LYS   1  -3.747   7.692 -11.125
   16    H    THR   2           H        THR   2  -8.471   5.424  -6.343
   17    HA   THR   2           HA       THR   2  -8.842   7.046  -3.859
   18    HB   THR   2           HB       THR   2  -9.647   4.086  -4.280
   19    HG1  THR   2           HG1      THR   2 -11.560   5.777  -3.457
   20   1HG2  THR   2          1HG2      THR   2 -10.660   4.293  -1.989
   21   2HG2  THR   2          2HG2      THR   2 -10.064   5.936  -1.839
   22   3HG2  THR   2          3HG2      THR   2  -8.948   4.576  -1.840
   23    H    TYR   3           H        TYR   3  -7.656   5.751  -2.063
   24    HA   TYR   3           HA       TYR   3  -5.080   4.679  -3.147
   25   1HB   TYR   3          1HB       TYR   3  -5.500   6.536  -0.740
   26   2HB   TYR   3          2HB       TYR   3  -3.948   5.937  -1.293
   27    HD1  TYR   3           HD1      TYR   3  -6.478   8.457  -1.800
   28    HD2  TYR   3           HD2      TYR   3  -3.283   6.432  -3.745
   29    HE1  TYR   3           HE1      TYR   3  -6.412  10.209  -3.509
   30    HE2  TYR   3           HE2      TYR   3  -3.218   8.176  -5.451
   31    HH   TYR   3           HH       TYR   3  -4.103  10.055  -6.212
   32    H    GLN   4           H        GLN   4  -6.243   2.718  -2.966
   33    HA   GLN   4           HA       GLN   4  -6.414   1.547  -0.206
   34   1HB   GLN   4          1HB       GLN   4  -8.405   1.702  -2.060
   35   2HB   GLN   4          2HB       GLN   4  -7.620   0.241  -2.657
   36   1HG   GLN   4          2HG       GLN   4  -8.795   0.628   0.111
   37   2HG   GLN   4          1HG       GLN   4  -9.557  -0.225  -1.205
   38   1HE2  GLN   4          1HE2      GLN   4  -8.808  -2.350  -1.730
   39   2HE2  GLN   4          2HE2      GLN   4  -7.793  -3.218  -0.684
   40    H    CYS   5           H        CYS   5  -5.575  -0.764  -0.207
   41    HA   CYS   5           HA       CYS   5  -3.187  -0.997  -1.983
   42   1HB   CYS   5          1HB       CYS   5  -2.777  -1.019   0.457
   43   2HB   CYS   5          2HB       CYS   5  -3.876  -2.386   0.633
   44    H    GLN   6           H        GLN   6  -2.787  -3.055  -2.974
   45    HA   GLN   6           HA       GLN   6  -5.228  -4.772  -3.260
   46   1HB   GLN   6          1HB       GLN   6  -4.552  -3.248  -5.248
   47   2HB   GLN   6          2HB       GLN   6  -3.112  -4.226  -5.395
   48   1HG   GLN   6          2HG       GLN   6  -4.775  -4.982  -7.012
   49   2HG   GLN   6          1HG       GLN   6  -4.559  -6.254  -5.828
   50   1HE2  GLN   6          1HE2      GLN   6  -6.879  -4.326  -7.388
   51   2HE2  GLN   6          2HE2      GLN   6  -8.200  -4.658  -6.374
   52    H    TYR   7           H        TYR   7  -3.219  -5.040  -1.360
   53    HA   TYR   7           HA       TYR   7  -2.116  -7.727  -2.038
   54   1HB   TYR   7          1HB       TYR   7  -0.701  -5.434  -0.582
   55   2HB   TYR   7          2HB       TYR   7  -0.069  -7.071  -0.652
   56    HD1  TYR   7           HD1      TYR   7  -0.271  -8.070  -3.233
   57    HD2  TYR   7           HD2      TYR   7   0.283  -3.973  -2.184
   58    HE1  TYR   7           HE1      TYR   7   0.689  -7.633  -5.432
   59    HE2  TYR   7           HE2      TYR   7   1.249  -3.551  -4.391
   60    HH   TYR   7           HH       TYR   7   1.593  -6.146  -6.791
   61    H    CYS   8           H        CYS   8  -2.773  -5.420   0.593
   62    HA   CYS   8           HA       CYS   8  -3.855  -7.672   2.233
   63   1HB   CYS   8          1HB       CYS   8  -3.033  -6.421   4.176
   64   2HB   CYS   8          2HB       CYS   8  -1.707  -6.734   3.094
   65    H    GLU   9           H        GLU   9  -4.328  -4.662   3.591
   66    HA   GLU   9           HA       GLU   9  -6.535  -3.727   1.958
   67   1HB   GLU   9          1HB       GLU   9  -7.594  -5.728   3.047
   68   2HB   GLU   9          2HB       GLU   9  -7.144  -5.124   4.625
   69   1HG   GLU   9          2HG       GLU   9  -9.578  -4.754   3.886
   70   2HG   GLU   9          1HG       GLU   9  -8.775  -3.347   4.526
   71    H    LEU  10           H        LEU  10  -4.553  -2.242   2.470
   72    HA   LEU  10           HA       LEU  10  -5.168  -0.576   4.882
   73   1HB   LEU  10          1HB       LEU  10  -2.848  -1.461   4.717
   74   2HB   LEU  10          2HB       LEU  10  -2.645  -0.675   3.153
   75    HG   LEU  10           HG       LEU  10  -3.597   1.160   5.329
   76   1HD1  LEU  10          1HD1      LEU  10  -0.778  -0.011   5.474
   77   2HD1  LEU  10          2HD1      LEU  10  -2.052  -0.307   6.642
   78   3HD1  LEU  10          3HD1      LEU  10  -1.401   1.310   6.448
   79   1HD2  LEU  10          1HD2      LEU  10  -2.843   1.948   3.061
   80   2HD2  LEU  10          2HD2      LEU  10  -1.248   1.292   3.377
   81   3HD2  LEU  10          3HD2      LEU  10  -1.859   2.624   4.343
   82    H    ARG  11           H        ARG  11  -6.437   1.015   4.429
   83    HA   ARG  11           HA       ARG  11  -6.308   2.373   1.772
   84   1HB   ARG  11          1HB       ARG  11  -8.730   2.955   2.205
   85   2HB   ARG  11          2HB       ARG  11  -8.385   1.250   1.997
   86   1HG   ARG  11          2HG       ARG  11  -8.455   0.862   4.426
   87   2HG   ARG  11          1HG       ARG  11  -8.697   2.570   4.723
   88   1HD   ARG  11          2HD       ARG  11 -10.816   1.147   4.770
   89   2HD   ARG  11          1HD       ARG  11 -10.886   2.513   3.660
   90    HE   ARG  11           HE       ARG  11 -10.204  -0.253   2.718
   91   1HH1  ARG  11          1HH1      ARG  11 -10.093   1.896   0.727
   92   2HH1  ARG  11          2HH1      ARG  11 -11.678   1.869   0.033
   93   1HH2  ARG  11          1HH2      ARG  11 -13.027   0.040   2.700
   94   2HH2  ARG  11          2HH2      ARG  11 -13.385   0.793   1.182
   95    H    SER  12           H        SER  12  -6.090   4.379   1.627
   96    HA   SER  12           HA       SER  12  -6.058   6.220   3.963
   97   1HB   SER  12          2HB       SER  12  -4.012   7.303   2.855
   98   2HB   SER  12          1HB       SER  12  -3.699   5.624   3.306
   99    HG   SER  12           HG       SER  12  -3.727   6.712   0.859
  100    H    ALA  13           H        ALA  13  -5.697   8.520   2.834
  101    HA   ALA  13           HA       ALA  13  -7.905   8.862   0.841
  102   1HB   ALA  13          1HB       ALA  13  -8.426   9.805   3.080
  103   2HB   ALA  13          2HB       ALA  13  -8.254  11.087   1.893
  104   3HB   ALA  13          3HB       ALA  13  -6.956  10.762   3.032
  105    H    ASP  14           H        ASP  14  -4.650   9.488   1.685
  106    HA   ASP  14           HA       ASP  14  -4.226  11.175  -0.750
  107   1HB   ASP  14          1HB       ASP  14  -2.583  11.018   1.812
  108   2HB   ASP  14          2HB       ASP  14  -2.210  12.044   0.441
  109    H    SER  15           H        SER  15  -1.903  11.000  -1.480
  110    HA   SER  15           HA       SER  15  -1.064   8.128  -1.725
  111   1HB   SER  15          2HB       SER  15  -1.923   9.292  -3.878
  112   2HB   SER  15          1HB       SER  15  -0.557  10.392  -3.739
  113    HG   SER  15           HG       SER  15   0.274   7.867  -3.340
  114    H    SER  16           H        SER  16  -0.357   9.354   0.405
  115    HA   SER  16           HA       SER  16   2.392  10.474   0.088
  116   1HB   SER  16          2HB       SER  16   1.987  11.325   2.465
  117   2HB   SER  16          1HB       SER  16   0.886  12.014   1.266
  118    HG   SER  16           HG       SER  16  -0.156   9.708   2.031
  119    H    ASN  17           H        ASN  17   0.413   8.317   1.964
  120    HA   ASN  17           HA       ASN  17   2.791   6.845   2.974
  121   1HB   ASN  17          1HB       ASN  17  -0.041   7.154   3.993
  122   2HB   ASN  17          2HB       ASN  17   1.052   5.936   4.637
  123   1HD2  ASN  17          1HD2      ASN  17   0.968   9.540   4.019
  124   2HD2  ASN  17          2HD2      ASN  17   1.909   9.882   5.383
  125    H    LEU  18           H        LEU  18   0.195   6.480   0.735
  126    HA   LEU  18           HA       LEU  18   0.008   3.591   1.016
  127   1HB   LEU  18          1HB       LEU  18  -1.832   4.962  -0.042
  128   2HB   LEU  18          2HB       LEU  18  -0.761   5.329  -1.387
  129    HG   LEU  18           HG       LEU  18  -0.533   2.776  -1.759
  130   1HD1  LEU  18          1HD1      LEU  18  -2.286   1.347  -0.761
  131   2HD1  LEU  18          2HD1      LEU  18  -2.923   2.711   0.140
  132   3HD1  LEU  18          3HD1      LEU  18  -1.336   2.070   0.519
  133   1HD2  LEU  18          1HD2      LEU  18  -2.005   4.192  -3.162
  134   2HD2  LEU  18          2HD2      LEU  18  -3.305   3.949  -2.007
  135   3HD2  LEU  18          3HD2      LEU  18  -2.679   2.588  -2.920
  136    H    LYS  19           H        LYS  19   1.532   5.688  -1.459
  137    HA   LYS  19           HA       LYS  19   2.772   3.744  -3.022
  138   1HB   LYS  19          1HB       LYS  19   4.538   5.505  -3.483
  139   2HB   LYS  19          2HB       LYS  19   2.901   6.090  -3.664
  140   1HG   LYS  19          2HG       LYS  19   3.030   7.121  -1.375
  141   2HG   LYS  19          1HG       LYS  19   4.687   6.547  -1.245
  142   1HD   LYS  19          2HD       LYS  19   5.387   7.893  -3.161
  143   2HD   LYS  19          1HD       LYS  19   3.736   8.420  -3.436
  144   1HE   LYS  19          2HE       LYS  19   5.008  10.148  -2.184
  145   2HE   LYS  19          1HE       LYS  19   3.726   9.500  -1.176
  146   1HZ   LYS  19          1HZ       LYS  19   5.178   8.883   0.290
  147   2HZ   LYS  19          2HZ       LYS  19   6.437   9.578  -0.626
  148   3HZ   LYS  19          3HZ       LYS  19   6.028   7.940  -0.833
  149    H    THR  20           H        THR  20   4.023   5.224  -0.064
  150    HA   THR  20           HA       THR  20   6.447   3.696   0.084
  151    HB   THR  20           HB       THR  20   6.460   4.492   2.542
  152    HG1  THR  20           HG1      THR  20   4.539   4.846   3.276
  153   1HG2  THR  20          1HG2      THR  20   5.488   6.691   0.640
  154   2HG2  THR  20          2HG2      THR  20   7.160   6.150   0.686
  155   3HG2  THR  20          3HG2      THR  20   6.441   6.922   2.089
  156    H    HIS  21           H        HIS  21   3.323   3.334   1.809
  157    HA   HIS  21           HA       HIS  21   3.659   1.167   3.378
  158   1HB   HIS  21          1HB       HIS  21   1.444   2.099   3.214
  159   2HB   HIS  21          2HB       HIS  21   1.327   1.791   1.498
  160    HD1  HIS  21           HD1      HIS  21   1.366  -0.138   4.703
  161    HD2  HIS  21           HD2      HIS  21   0.408  -0.695   0.774
  162    HE1  HIS  21           HE1      HIS  21   0.282  -2.357   4.562
  163    H    ILE  22           H        ILE  22   2.659   0.739   0.005
  164    HA   ILE  22           HA       ILE  22   3.059  -2.017  -0.172
  165    HB   ILE  22           HB       ILE  22   3.464   0.066  -2.386
  166   1HG1  ILE  22          2HG1      ILE  22   0.957  -1.500  -1.550
  167   2HG1  ILE  22          1HG1      ILE  22   1.232   0.190  -1.192
  168   1HG2  ILE  22          1HG2      ILE  22   4.343  -2.228  -2.965
  169   2HG2  ILE  22          2HG2      ILE  22   2.943  -1.838  -3.933
  170   3HG2  ILE  22          3HG2      ILE  22   2.785  -2.918  -2.558
  171   1HD1  ILE  22          1HD       ILE  22   0.981  -0.956  -4.000
  172   2HD1  ILE  22          2HD       ILE  22   1.275   0.731  -3.606
  173   3HD1  ILE  22          3HD       ILE  22  -0.235  -0.031  -3.148
  174    H    LYS  23           H        LYS  23   5.348   0.416  -1.344
  175    HA   LYS  23           HA       LYS  23   7.505  -1.004  -2.103
  176   1HB   LYS  23          1HB       LYS  23   7.187   1.543  -1.945
  177   2HB   LYS  23          2HB       LYS  23   7.734   1.435  -0.297
  178   1HG   LYS  23          2HG       LYS  23   9.659   2.046  -1.571
  179   2HG   LYS  23          1HG       LYS  23   9.895   0.372  -1.124
  180   1HD   LYS  23          2HD       LYS  23  10.515   0.616  -3.466
  181   2HD   LYS  23          1HD       LYS  23   9.030  -0.303  -3.425
  182   1HE   LYS  23          2HE       LYS  23   7.725   1.769  -3.942
  183   2HE   LYS  23          1HE       LYS  23   9.211   2.705  -3.929
  184   1HZ   LYS  23          1HZ       LYS  23   8.080   1.268  -6.023
  185   2HZ   LYS  23          2HZ       LYS  23   9.556   0.522  -5.634
  186   3HZ   LYS  23          3HZ       LYS  23   9.515   2.178  -6.018
  187    H    THR  24           H        THR  24   6.813  -0.308   1.252
  188    HA   THR  24           HA       THR  24   9.112  -1.918   2.164
  189    HB   THR  24           HB       THR  24   8.684  -0.838   4.405
  190    HG1  THR  24           HG1      THR  24   6.659  -0.320   4.595
  191   1HG2  THR  24          1HG2      THR  24   9.023   1.524   3.709
  192   2HG2  THR  24          2HG2      THR  24   8.418   1.188   2.097
  193   3HG2  THR  24          3HG2      THR  24   9.956   0.518   2.614
  194    H    LYS  25           H        LYS  25   5.686  -1.986   2.669
  195    HA   LYS  25           HA       LYS  25   5.788  -4.152   4.604
  196   1HB   LYS  25          1HB       LYS  25   3.386  -3.042   3.091
  197   2HB   LYS  25          2HB       LYS  25   3.335  -4.037   4.541
  198   1HG   LYS  25          2HG       LYS  25   4.461  -1.212   4.357
  199   2HG   LYS  25          1HG       LYS  25   2.955  -1.685   5.108
  200   1HD   LYS  25          2HD       LYS  25   4.294  -3.127   6.721
  201   2HD   LYS  25          1HD       LYS  25   5.754  -2.450   6.017
  202   1HE   LYS  25          2HE       LYS  25   3.549  -0.800   7.310
  203   2HE   LYS  25          1HE       LYS  25   5.067  -1.228   8.071
  204   1HZ   LYS  25          1HZ       LYS  25   5.675  -0.054   5.599
  205   2HZ   LYS  25          2HZ       LYS  25   5.971   0.530   7.155
  206   3HZ   LYS  25          3HZ       LYS  25   4.520   0.915   6.371
  207    H    HIS  26           H        HIS  26   5.448  -3.955   1.137
  208    HA   HIS  26           HA       HIS  26   4.958  -6.904   1.054
  209   1HB   HIS  26          1HB       HIS  26   4.212  -4.736  -0.979
  210   2HB   HIS  26          2HB       HIS  26   3.894  -6.451  -1.169
  211    HD1  HIS  26           HD1      HIS  26   2.665  -7.279   1.338
  212    HD2  HIS  26           HD2      HIS  26   1.856  -3.528  -0.064
  213    HE1  HIS  26           HE1      HIS  26   0.571  -6.570   2.427
  214    H    SER  27           H        SER  27   6.359  -4.305  -0.848
  215    HA   SER  27           HA       SER  27   8.422  -3.973  -1.850
  216   1HB   SER  27          2HB       SER  27   9.477  -5.119   0.156
  217   2HB   SER  27          1HB       SER  27   9.295  -6.682  -0.659
  218    HG   SER  27           HG       SER  27  10.933  -6.202  -1.816
  219    H    LYS  28           H        LYS  28   7.618  -7.342  -1.959
  220    HA   LYS  28           HA       LYS  28   7.736  -7.395  -4.950
  221   1HB   LYS  28          1HB       LYS  28   8.645  -9.519  -2.952
  222   2HB   LYS  28          2HB       LYS  28   8.421  -9.857  -4.664
  223   1HG   LYS  28          2HG       LYS  28  10.088  -8.025  -5.173
  224   2HG   LYS  28          1HG       LYS  28  10.412  -7.919  -3.448
  225   1HD   LYS  28          2HD       LYS  28  11.085 -10.295  -3.384
  226   2HD   LYS  28          1HD       LYS  28  10.628 -10.508  -5.062
  227   1HE   LYS  28          2HE       LYS  28  13.055 -10.257  -4.919
  228   2HE   LYS  28          1HE       LYS  28  12.391  -8.850  -5.731
  229   1HZ   LYS  28          1HZ       LYS  28  13.939  -8.950  -3.424
  230   2HZ   LYS  28          2HZ       LYS  28  12.410  -8.363  -2.974
  231   3HZ   LYS  28          3HZ       LYS  28  13.295  -7.581  -4.196
  232    H    GLU  29           H        GLU  29   6.711  -9.687  -5.540
  233    HA   GLU  29           HA       GLU  29   4.003  -9.828  -4.268
  234   1HB   GLU  29          1HB       GLU  29   4.471  -8.845  -6.762
  235   2HB   GLU  29          2HB       GLU  29   4.348 -10.538  -7.183
  236   1HG   GLU  29          2HG       GLU  29   2.292  -8.967  -5.582
  237   2HG   GLU  29          1HG       GLU  29   2.143  -9.337  -7.287
  238    H    LYS  30           H        LYS  30   5.261 -13.178  -3.657
  239    HA   LYS  30           HA       LYS  30   4.939 -10.415  -2.584
  240   1HB   LYS  30          1HB       LYS  30   3.622 -11.523  -0.690
  241   2HB   LYS  30          2HB       LYS  30   2.780 -11.408  -2.232
  242   1HG   LYS  30          2HG       LYS  30   4.251 -13.933  -1.339
  243   2HG   LYS  30          1HG       LYS  30   2.601 -13.616  -0.881
  244   1HD   LYS  30          2HD       LYS  30   3.559 -13.894  -3.785
  245   2HD   LYS  30          1HD       LYS  30   2.754 -15.117  -2.847
  246   1HE   LYS  30          2HE       LYS  30   0.753 -13.692  -2.621
  247   2HE   LYS  30          1HE       LYS  30   1.539 -12.420  -3.544
  248   1HZ   LYS  30          1HZ       LYS  30   0.881 -13.376  -5.377
  249   2HZ   LYS  30          2HZ       LYS  30   0.141 -14.626  -4.498
  250   3HZ   LYS  30          3HZ       LYS  30   1.755 -14.780  -4.999