*HEADER    TRANSCRIPTION                           12-DEC-01   1KLR              
*TITLE     NMR STRUCTURE OF THE ZFY-6T[Y10F] 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, 25 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 1KLR    0                                                
assign (resid  2 and name HA) (resid  3 and name HN)  2.70  2.70  0.00
assign (resid  2 and name HB) (resid  3 and name HN)  3.40  3.40  0.00
assign (resid  2 and name HA) (resid 13 and name HA)  3.40  3.40  0.00
assign (resid  3 and name HN) (resid 12 and name HN)  4.30  4.30  0.00
assign (resid  3 and name HN) (resid 13 and name HA)  4.30  4.30  0.00
assign (resid  3 and name HN) (resid 18 and name CD2)  5.40  5.40  0.00
assign (resid  3 and name HA) (resid 18 and name CD2)  5.40  5.40  0.00
assign (resid  3 and name HA) (resid  4 and name HN)  2.70  2.70  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 HB2) (resid 12 and name HN)  5.00  5.00  0.00
assign (resid  3 and name HB1) (resid 18 and name CD2)  5.40  5.40  0.00
assign (resid  3 and name HB2) (resid 18 and name CD2)  5.40  5.40  0.00
assign (resid  3 and name HD2) (resid 13 and name HA)  4.30  4.30  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 18 and name CD2)  5.40  5.40  0.00
assign (resid  3 and name HE2) (resid 13 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)  2.70  2.70  0.00
assign (resid  4 and name HA) (resid 12 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)  4.30  4.30  0.00
assign (resid  4 and name HA) (resid 11 and name HB2)  4.30  4.30  0.00
assign (resid  4 and name HG1) (resid  5 and name HN)  4.30  4.30  0.00
assign (resid  4 and name HG2) (resid  5 and name HN)  4.30  4.30  0.00
assign (resid  4 and name HE21) (resid  5 and name HN)  4.30  4.30  0.00
assign (resid  4 and name HE22) (resid  5 and name HN)  4.30  4.30  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 HD2)  4.30  4.30  0.00
assign (resid  5 and name HN) (resid 11 and name HA)  3.40  3.40  0.00
assign (resid  5 and name HN) (resid 18 and name CD1)  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 HB2) (resid  7 and name HN)  4.30  4.30  0.00
assign (resid  5 and name HB1) (resid  8 and name HN)  5.00  5.00  0.00
assign (resid  5 and name HB2) (resid  8 and name HN)  4.30  4.30  0.00
assign (resid  5 and name HB2) (resid 10 and name HD2)  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 HB2) (resid 10 and name HN)  4.30  4.30  0.00
assign (resid  5 and name HB1) (resid 21 and name HD2)  4.30  4.30  0.00
assign (resid  6 and name HN) (resid  7 and name HN)  3.40  3.40  0.00
assign (resid  6 and name HN) (resid 22 and name CD)  6.10  6.10  0.00
assign (resid  6 and name HA) (resid  7 and name HN)  3.40  3.40  0.00
assign (resid  7 and name HN) (resid  7 and name HD2)  3.40  3.40  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)  4.30  4.30  0.00
assign (resid  7 and name HB2) (resid  8 and name HN)  4.30  4.30  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 HE2) (resid 22 and name HB)  4.30  4.30  0.00
assign (resid  7 and name HE2) (resid 22 and name HG11)  6.00  6.00  0.00
assign (resid  7 and name HE2) (resid 22 and name HG12)  6.00  6.00  0.00
assign (resid  7 and name HE2) (resid 22 and name CD)  5.40  5.40  0.00
assign (resid  7 and name HE2) (resid 22 and name CG2)  4.50  4.50  0.00
assign (resid  7 and name HD2) (resid 22 and name CG2)  5.40  5.40  0.00
assign (resid  7 and name HD2) (resid 26 and name HD2)  4.30  4.30  0.00
assign (resid  8 and name HA) (resid  9 and name HN)  3.40  3.40  0.00
assign (resid  8 and name HB1) (resid  9 and name HN)  2.70  2.70  0.00
assign (resid  8 and name HB2) (resid  9 and name HN)  3.40  3.40  0.00
assign (resid  8 and name HB1) (resid 10 and name HN)  4.30  4.30  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)  2.70  2.70  0.00
assign (resid  9 and name HN) (resid 10 and name HN)  4.30  4.30  0.00
assign (resid  9 and name HA) (resid 10 and name HN)  3.40  3.40  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)  4.30  4.30  0.00
assign (resid 10 and name HB1) (resid 21 and name HE1)  3.40  3.40  0.00
assign (resid 10 and name HB2) (resid 21 and name HE1)  4.30  4.30  0.00
assign (resid 10 and name CG) (resid 11 and name HA)  6.40  6.40  0.00
assign (resid 10 and name HD2) (resid 18 and name CD1)  3.80  3.80  0.00
assign (resid 10 and name HD2) (resid 21 and name HD2)  4.30  4.30  0.00
assign (resid 10 and name CG) (resid 21 and name HE1)  6.40  6.40  0.00
assign (resid 10 and name HE2) (resid 12 and name HB1)  3.40  3.40  0.00
assign (resid 10 and name HE2) (resid 12 and name HB2)  3.40  3.40  0.00
assign (resid 10 and name HE2) (resid 18 and name HA)  3.40  3.40  0.00
assign (resid 10 and name HE2) (resid 18 and name HB1)  4.30  4.30  0.00
assign (resid 10 and name HE2) (resid 18 and name CD1)  4.50  4.50  0.00
assign (resid 10 and name HE2) (resid 21 and name HB1)  4.30  4.30  0.00
assign (resid 10 and name HZ) (resid 12 and name HB1)  4.30  4.30  0.00
assign (resid 10 and name HZ) (resid 12 and name HB2)  3.40  3.40  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)  4.30  4.30  0.00
assign (resid 11 and name HB2) (resid 12 and name HN)  4.30  4.30  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 14 and name HN)  3.40  3.40  0.00
assign (resid 12 and name HB2) (resid 14 and name HN)  4.30  4.30  0.00
assign (resid 12 and name HN) (resid 18 and name CD2)  5.40  5.40  0.00
assign (resid 13 and name CB) (resid 14 and name HN)  4.50  4.50  0.00
assign (resid 14 and name HB1) (resid 17 and name HN)  4.30  4.30  0.00
assign (resid 14 and name HB2) (resid 17 and name HN)  4.30  4.30  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)  3.40  3.40  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 HB1)  4.30  4.30  0.00
assign (resid 15 and name HA) (resid 18 and name CD2)  5.40  5.40  0.00
assign (resid 15 and name HA) (resid 19 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 HA) (resid 19 and name HN)  4.30  4.30  0.00
assign (resid 16 and name HB1) (resid 17 and name HN)  5.10  5.10  0.00
assign (resid 16 and name HB2) (resid 17 and name HN)  5.10  5.10  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 18 and name HN)  4.30  4.30  0.00
assign (resid 17 and name HA) (resid 20 and name HN)  4.30  4.30  0.00
assign (resid 17 and name HA) (resid 20 and name HB)  4.30  4.30  0.00
assign (resid 17 and name HA) (resid 21 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 HA) (resid 21 and name HB1)  4.30  4.30  0.00
assign (resid 18 and name HA) (resid 21 and name HB2)  3.40  3.40  0.00
assign (resid 18 and name HA) (resid 22 and name HN)  4.30  4.30  0.00
assign (resid 18 and name HB1) (resid 19 and name HN)  4.30  4.30  0.00
assign (resid 18 and name HB2) (resid 19 and name HN)  3.40  3.40  0.00
assign (resid 18 and name HG) (resid 22 and name CD)  4.50  4.50  0.00
assign (resid 18 and name CD1) (resid 21 and name HD2)  3.80  3.80  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)  3.40  3.40  0.00
assign (resid 19 and name HA) (resid 23 and name HN)  4.30  4.30  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 23 and name HN)  3.40  3.40  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 HB) (resid 21 and name HN)  3.40  3.40  0.00
assign (resid 20 and name CG2) (resid 21 and name HN)  4.50  4.50  0.00
assign (resid 21 and name HN) (resid 22 and name HN)  3.40  3.40  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 HA) (resid 25 and name HN)  4.30  4.30  0.00
assign (resid 21 and name HB1) (resid 22 and name HN)  4.30  4.30  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 HA)  3.40  3.40  0.00
assign (resid 21 and name HD2) (resid 22 and name HG11)  4.30  4.30  0.00
assign (resid 21 and name HD2) (resid 22 and name HN)  3.40  3.40  0.00
assign (resid 21 and name HD2) (resid 22 and name HG12)  4.30  4.30  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 HG1)  5.10  5.10  0.00
assign (resid 21 and name HE1) (resid 25 and name HG2)  5.10  5.10  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 22 and name HN) (resid 22 and name CG2)  4.50  4.50  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)  3.40  3.40  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)  3.40  3.40  0.00
assign (resid 22 and name HG11) (resid 26 and name HD2)  4.30  4.30  0.00
assign (resid 22 and name HG12) (resid 26 and name HD2)  4.30  4.30  0.00
assign (resid 22 and name CG2) (resid 23 and name HN)  4.50  4.50  0.00
assign (resid 22 and name CG2) (resid 26 and name HD2)  4.50  4.50  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 26 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)  4.30  4.30  0.00
assign (resid 24 and name HB) (resid 25 and name HN)  4.30  4.30  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 25 and name HD1)  5.10  5.10  0.00
assign (resid 25 and name HA) (resid 25 and name HD2)  5.10  5.10  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 HB2) (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 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 26 and name HD2)  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 HA) (resid 27 and name HN)  3.40  3.40  0.00
assign (resid 27 and name HA) (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  5 and name SG) (resid  7 and name HN)  3.40  1.20  0.00
assign (resid  5 and name SG) (resid  7 and name N)  3.70  1.20  0.00
assign (resid  5 and name SG) (resid  8 and name HN)  3.40  1.20  0.00
assign (resid  5 and name SG) (resid  8 and name N)  3.70  1.20  0.00
assign (resid  8 and name SG) (resid 10 and name HN)  3.40  1.20  0.00
assign (resid  8 and name SG) (resid 10 and name N)  3.70  1.20  0.00
assign (resid 18 and name O) (resid 22 and name HN) 15.00 13.10  0.00
assign (resid 18 and name O) (resid 22 and name N) 15.00 12.80  0.00
assign (resid 19 and name O) (resid 23 and name HN) 15.00 13.10  0.00
assign (resid 19 and name O) (resid 23 and name HN) 15.00 12.80  0.00
assign (resid 20 and name O) (resid 24 and name HN) 15.00 13.10  0.00
assign (resid 20 and name O) (resid 24 and name N) 15.00 12.80  0.00
assign (resid 21 and name O) (resid 24 and name HN) 15.00 13.10  0.00
assign (resid 21 and name O) (resid 24 and name N) 15.00 12.80  0.00
assign (resid  5 and name HN) (resid 10 and name O) 15.00 13.10  0.00
assign (resid  5 and name N) (resid 10 and name O) 15.00 12.80  0.00
assign (resid  3 and name O) (resid 12 and name HN) 15.00 13.10  0.00
assign (resid  3 and name O) (resid 12 and name N) 15.00 12.80  0.00
assign (resid  4 and name HE22) (resid  5 and name O) 15.00 13.10  0.00
assign (resid  4 and name NE2) (resid  5 and name O) 15.00 12.80  0.00
assign (resid  4 and name HE21) (resid  9 and name O) 15.00 13.10  0.00
assign (resid 14 and name OD1) (resid 17 and name HN) 15.00 13.10  0.00
assign (resid 14 and name OD1) (resid 17 and name N) 15.00 12.80  0.00
assign (resid 14 and name OD2) (resid 17 and name HN) 15.00 13.10  0.00
assign (resid 14 and name OD2) (resid 17 and name N) 15.00 12.80  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 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 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 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 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 8 and name N) (resid 8 and name CA) (resid 8 and name CB) (resid 8 and name SG)  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 12 and name N) (resid 12 and name CA) (resid 12 and name CB) (resid 12 and name OG)  1  -60.0 40.0 2
assign (resid 14 and name N) (resid 14 and name CA) (resid 14 and name CB) (resid 14 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

assign (resid 18 and name CA) (resid 18 and name CB) (resid 18 and name CG) (resid 18 and name HG)  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 -12.131  11.187  -2.695
    2   2H    LYS   1          2H        LYS   1 -11.154  11.644  -1.383
    3   3H    LYS   1          3H        LYS   1 -12.844  11.579  -1.205
    4    HA   LYS   1           HA       LYS   1 -12.718   9.507  -0.533
    5   1HB   LYS   1          2HB       LYS   1 -12.125   7.738  -2.122
    6   2HB   LYS   1          1HB       LYS   1 -12.925   9.008  -3.017
    7   1HG   LYS   1          2HG       LYS   1 -10.775   9.874  -3.846
    8   2HG   LYS   1          1HG       LYS   1  -9.880   8.755  -2.837
    9   1HD   LYS   1          2HD       LYS   1 -10.911   6.832  -4.048
   10   2HD   LYS   1          1HD       LYS   1 -11.743   7.957  -5.105
   11   1HE   LYS   1          2HE       LYS   1  -9.562   8.857  -5.892
   12   2HE   LYS   1          1HE       LYS   1  -8.711   7.794  -4.780
   13   1HZ   LYS   1          1HZ       LYS   1  -9.592   7.243  -7.363
   14   2HZ   LYS   1          2HZ       LYS   1 -10.460   6.241  -6.304
   15   3HZ   LYS   1          3HZ       LYS   1  -8.765   6.224  -6.291
   16    H    THR   2           H        THR   2 -11.055   7.550  -0.483
   17    HA   THR   2           HA       THR   2  -8.452   8.554   0.604
   18    HB   THR   2           HB       THR   2 -10.027   7.787   2.401
   19    HG1  THR   2           HG1      THR   2  -7.619   7.026   2.042
   20   1HG2  THR   2          1HG2      THR   2 -11.300   6.030   1.028
   21   2HG2  THR   2          2HG2      THR   2 -10.683   5.374   2.533
   22   3HG2  THR   2          3HG2      THR   2  -9.849   5.043   1.028
   23    H    TYR   3           H        TYR   3  -7.221   6.269   0.920
   24    HA   TYR   3           HA       TYR   3  -7.122   4.954  -1.780
   25   1HB   TYR   3          1HB       TYR   3  -4.823   5.412   0.169
   26   2HB   TYR   3          2HB       TYR   3  -4.720   4.695  -1.441
   27    HD1  TYR   3           HD1      TYR   3  -5.783   6.321  -3.366
   28    HD2  TYR   3           HD2      TYR   3  -4.113   7.592   0.342
   29    HE1  TYR   3           HE1      TYR   3  -5.328   8.533  -4.321
   30    HE2  TYR   3           HE2      TYR   3  -3.648   9.796  -0.619
   31    HH   TYR   3           HH       TYR   3  -4.386  10.525  -4.010
   32    H    GLN   4           H        GLN   4  -6.392   2.741  -1.678
   33    HA   GLN   4           HA       GLN   4  -6.854   1.355   0.936
   34   1HB   GLN   4          1HB       GLN   4  -8.652   1.308  -1.194
   35   2HB   GLN   4          2HB       GLN   4  -7.671  -0.089  -1.543
   36   1HG   GLN   4          2HG       GLN   4  -9.341   0.386   0.959
   37   2HG   GLN   4          1HG       GLN   4  -9.610  -0.812  -0.278
   38   1HE2  GLN   4          1HE2      GLN   4  -8.375  -2.782  -0.215
   39   2HE2  GLN   4          2HE2      GLN   4  -7.400  -3.188   1.108
   40    H    CYS   5           H        CYS   5  -5.886  -0.758   0.958
   41    HA   CYS   5           HA       CYS   5  -3.292  -0.849  -0.517
   42   1HB   CYS   5          1HB       CYS   5  -3.178  -0.987   1.909
   43   2HB   CYS   5          2HB       CYS   5  -4.361  -2.301   1.943
   44    H    GLN   6           H        GLN   6  -2.792  -2.790  -1.720
   45    HA   GLN   6           HA       GLN   6  -5.228  -4.395  -2.463
   46   1HB   GLN   6          1HB       GLN   6  -2.709  -4.139  -4.140
   47   2HB   GLN   6          2HB       GLN   6  -4.311  -4.618  -4.656
   48   1HG   GLN   6          2HG       GLN   6  -3.440  -1.811  -3.821
   49   2HG   GLN   6          1HG       GLN   6  -3.886  -2.328  -5.433
   50   1HE2  GLN   6          2HE2      GLN   6  -5.067  -0.697  -2.803
   51   2HE2  GLN   6          1HE2      GLN   6  -6.727  -0.916  -3.061
   52    H    TYR   7           H        TYR   7  -3.779  -4.922  -0.203
   53    HA   TYR   7           HA       TYR   7  -2.746  -7.663  -0.737
   54   1HB   TYR   7          1HB       TYR   7  -1.470  -5.589   1.103
   55   2HB   TYR   7          2HB       TYR   7  -0.920  -7.247   0.911
   56    HD1  TYR   7           HD1      TYR   7  -0.106  -7.996  -1.408
   57    HD2  TYR   7           HD2      TYR   7  -0.791  -3.901  -0.458
   58    HE1  TYR   7           HE1      TYR   7   1.224  -7.314  -3.341
   59    HE2  TYR   7           HE2      TYR   7   0.541  -3.224  -2.382
   60    HH   TYR   7           HH       TYR   7   1.624  -3.900  -4.202
   61    H    CYS   8           H        CYS   8  -3.476  -5.321   1.760
   62    HA   CYS   8           HA       CYS   8  -5.222  -7.292   3.180
   63   1HB   CYS   8          1HB       CYS   8  -4.408  -6.456   5.294
   64   2HB   CYS   8          2HB       CYS   8  -3.005  -6.845   4.303
   65    H    GLU   9           H        GLU   9  -6.056  -5.527   5.136
   66    HA   GLU   9           HA       GLU   9  -7.898  -3.739   3.595
   67   1HB   GLU   9          1HB       GLU   9  -9.329  -3.893   5.658
   68   2HB   GLU   9          2HB       GLU   9  -9.039  -5.454   4.913
   69   1HG   GLU   9          2HG       GLU   9  -7.244  -5.939   6.584
   70   2HG   GLU   9          1HG       GLU   9  -7.505  -4.389   7.342
   71    H    PHE  10           H        PHE  10  -5.611  -2.648   3.666
   72    HA   PHE  10           HA       PHE  10  -5.493  -0.747   5.977
   73   1HB   PHE  10          1HB       PHE  10  -3.435  -1.972   5.614
   74   2HB   PHE  10          2HB       PHE  10  -3.315  -1.463   3.939
   75    HD1  PHE  10           HD1      PHE  10  -2.993  -0.415   7.458
   76    HD2  PHE  10           HD2      PHE  10  -2.777   0.909   3.419
   77    HE1  PHE  10           HE1      PHE  10  -1.916   1.668   8.187
   78    HE2  PHE  10           HE2      PHE  10  -1.711   3.015   4.168
   79    HZ   PHE  10           HZ       PHE  10  -1.279   3.384   6.529
   80    H    ARG  11           H        ARG  11  -6.943   0.612   5.379
   81    HA   ARG  11           HA       ARG  11  -6.624   2.062   2.787
   82   1HB   ARG  11          1HB       ARG  11  -9.060   2.677   3.032
   83   2HB   ARG  11          2HB       ARG  11  -8.759   0.971   2.841
   84   1HG   ARG  11          2HG       ARG  11  -9.011   0.669   5.336
   85   2HG   ARG  11          1HG       ARG  11  -9.426   2.370   5.465
   86   1HD   ARG  11          2HD       ARG  11 -11.477   0.995   5.336
   87   2HD   ARG  11          1HD       ARG  11 -11.336   2.058   3.938
   88    HE   ARG  11           HE       ARG  11 -10.550   0.109   2.620
   89   1HH1  ARG  11          2HH1      ARG  11  -9.836  -1.567   5.031
   90   2HH1  ARG  11          1HH1      ARG  11 -11.121  -2.728   5.046
   91   1HH2  ARG  11          2HH2      ARG  11 -13.115  -0.812   2.886
   92   2HH2  ARG  11          1HH2      ARG  11 -13.038  -2.282   3.802
   93    H    SER  12           H        SER  12  -5.408   3.653   3.240
   94    HA   SER  12           HA       SER  12  -5.963   5.449   5.569
   95   1HB   SER  12          2HB       SER  12  -3.419   4.602   4.123
   96   2HB   SER  12          1HB       SER  12  -3.330   5.858   5.306
   97    HG   SER  12           HG       SER  12  -3.604   4.423   6.818
   98    H    ALA  13           H        ALA  13  -5.657   7.742   5.125
   99    HA   ALA  13           HA       ALA  13  -6.395   8.430   2.305
  100   1HB   ALA  13          1HB       ALA  13  -6.698  10.018   4.893
  101   2HB   ALA  13          2HB       ALA  13  -7.982   9.120   4.100
  102   3HB   ALA  13          3HB       ALA  13  -7.285  10.524   3.313
  103    H    ASP  14           H        ASP  14  -3.825   7.744   2.955
  104    HA   ASP  14           HA       ASP  14  -2.352  10.234   2.285
  105   1HB   ASP  14          1HB       ASP  14  -2.164   9.489   4.819
  106   2HB   ASP  14          2HB       ASP  14  -1.231   8.142   4.207
  107    H    SER  15           H        SER  15  -0.447   9.753   1.077
  108    HA   SER  15           HA       SER  15  -0.557   7.115  -0.336
  109   1HB   SER  15          2HB       SER  15  -0.958   9.169  -1.761
  110   2HB   SER  15          1HB       SER  15   0.616   9.806  -1.271
  111    HG   SER  15           HG       SER  15   0.047   7.973  -3.130
  112    H    SER  16           H        SER  16   1.570   9.639   0.940
  113    HA   SER  16           HA       SER  16   4.048   8.342   0.780
  114   1HB   SER  16          2HB       SER  16   3.107  10.173   3.062
  115   2HB   SER  16          1HB       SER  16   4.781   9.840   2.613
  116    HG   SER  16           HG       SER  16   3.438  10.468   0.407
  117    H    ASN  17           H        ASN  17   1.500   7.880   3.162
  118    HA   ASN  17           HA       ASN  17   3.147   5.904   4.647
  119   1HB   ASN  17          1HB       ASN  17   0.425   7.063   5.350
  120   2HB   ASN  17          2HB       ASN  17   1.452   6.113   6.412
  121   1HD2  ASN  17          1HD2      ASN  17   0.525   9.198   6.050
  122   2HD2  ASN  17          2HD2      ASN  17   1.945  10.008   6.500
  123    H    LEU  18           H        LEU  18   1.415   5.618   2.020
  124    HA   LEU  18           HA       LEU  18   0.029   3.087   2.785
  125   1HB   LEU  18          1HB       LEU  18  -1.469   4.721   1.706
  126   2HB   LEU  18          2HB       LEU  18  -0.327   4.963   0.388
  127    HG   LEU  18           HG       LEU  18  -0.716   2.691  -0.451
  128   1HD1  LEU  18          1HD1      LEU  18  -2.357   1.175   0.637
  129   2HD1  LEU  18          2HD1      LEU  18  -2.599   2.339   1.924
  130   3HD1  LEU  18          3HD1      LEU  18  -1.057   1.505   1.761
  131   1HD2  LEU  18          1HD2      LEU  18  -3.135   2.889  -0.978
  132   2HD2  LEU  18          2HD2      LEU  18  -2.372   4.466  -1.056
  133   3HD2  LEU  18          3HD2      LEU  18  -3.327   4.015   0.356
  134    H    LYS  19           H        LYS  19   2.161   4.666   0.460
  135    HA   LYS  19           HA       LYS  19   2.901   2.198  -0.860
  136   1HB   LYS  19          1HB       LYS  19   4.468   4.854  -0.670
  137   2HB   LYS  19          2HB       LYS  19   4.698   3.634  -1.914
  138   1HG   LYS  19          2HG       LYS  19   2.155   5.288  -1.480
  139   2HG   LYS  19          1HG       LYS  19   3.327   5.559  -2.741
  140   1HD   LYS  19          2HD       LYS  19   2.713   3.630  -3.939
  141   2HD   LYS  19          1HD       LYS  19   1.947   2.856  -2.560
  142   1HE   LYS  19          2HE       LYS  19   0.175   3.704  -3.969
  143   2HE   LYS  19          1HE       LYS  19   0.243   4.753  -2.559
  144   1HZ   LYS  19          1HZ       LYS  19   0.416   5.491  -5.196
  145   2HZ   LYS  19          2HZ       LYS  19   1.988   5.682  -4.579
  146   3HZ   LYS  19          3HZ       LYS  19   0.692   6.465  -3.819
  147    H    THR  20           H        THR  20   4.404   4.209   1.696
  148    HA   THR  20           HA       THR  20   6.596   2.435   2.130
  149    HB   THR  20           HB       THR  20   5.077   4.165   4.225
  150    HG1  THR  20           HG1      THR  20   5.860   5.580   2.917
  151   1HG2  THR  20          1HG2      THR  20   7.247   4.155   5.442
  152   2HG2  THR  20          2HG2      THR  20   8.008   3.229   4.156
  153   3HG2  THR  20          3HG2      THR  20   6.802   2.475   5.178
  154    H    HIS  21           H        HIS  21   3.321   2.510   3.473
  155    HA   HIS  21           HA       HIS  21   3.483   0.369   5.249
  156   1HB   HIS  21          1HB       HIS  21   1.368   1.522   5.137
  157   2HB   HIS  21          2HB       HIS  21   1.199   1.276   3.416
  158    HD1  HIS  21           HD1      HIS  21   1.063  -0.752   6.577
  159    HD2  HIS  21           HD2      HIS  21  -0.062  -1.042   2.664
  160    HE1  HIS  21           HE1      HIS  21  -0.282  -2.820   6.393
  161    H    ILE  22           H        ILE  22   2.413   0.067   1.833
  162    HA   ILE  22           HA       ILE  22   2.402  -2.645   1.538
  163    HB   ILE  22           HB       ILE  22   3.252  -0.473  -0.430
  164   1HG1  ILE  22          2HG1      ILE  22   0.603  -1.970  -0.198
  165   2HG1  ILE  22          1HG1      ILE  22   0.895  -0.485   0.671
  166   1HG2  ILE  22          1HG2      ILE  22   4.091  -2.654  -1.250
  167   2HG2  ILE  22          2HG2      ILE  22   2.755  -2.114  -2.228
  168   3HG2  ILE  22          3HG2      ILE  22   2.508  -3.370  -1.019
  169   1HD1  ILE  22          1HD       ILE  22  -0.263  -0.021  -1.458
  170   2HD1  ILE  22          2HD       ILE  22   1.027  -0.795  -2.363
  171   3HD1  ILE  22          3HD       ILE  22   1.341   0.690  -1.482
  172    H    LYS  23           H        LYS  23   5.287  -0.628   1.178
  173    HA   LYS  23           HA       LYS  23   7.069  -2.734   0.467
  174   1HB   LYS  23          1HB       LYS  23   7.446  -0.328   0.068
  175   2HB   LYS  23          2HB       LYS  23   7.603  -0.070   1.791
  176   1HG   LYS  23          2HG       LYS  23   9.566  -1.749   1.740
  177   2HG   LYS  23          1HG       LYS  23   9.431  -1.731  -0.005
  178   1HD   LYS  23          2HD       LYS  23  11.157  -0.141   0.592
  179   2HD   LYS  23          1HD       LYS  23   9.771   0.787   0.064
  180   1HE   LYS  23          2HE       LYS  23  10.733   1.751   2.149
  181   2HE   LYS  23          1HE       LYS  23   9.108   1.176   2.457
  182   1HZ   LYS  23          1HZ       LYS  23  10.914  -0.931   2.886
  183   2HZ   LYS  23          2HZ       LYS  23   9.883  -0.160   3.992
  184   3HZ   LYS  23          3HZ       LYS  23  11.454   0.437   3.734
  185    H    THR  24           H        THR  24   6.581  -1.188   3.617
  186    HA   THR  24           HA       THR  24   8.419  -2.987   4.955
  187    HB   THR  24           HB       THR  24   6.515  -0.867   6.099
  188    HG1  THR  24           HG1      THR  24   9.131  -0.302   5.908
  189   1HG2  THR  24          1HG2      THR  24   7.623  -2.453   7.859
  190   2HG2  THR  24          2HG2      THR  24   8.160  -0.790   7.960
  191   3HG2  THR  24          3HG2      THR  24   9.171  -1.992   7.178
  192    H    LYS  25           H        LYS  25   5.115  -3.294   4.192
  193    HA   LYS  25           HA       LYS  25   4.751  -5.315   6.364
  194   1HB   LYS  25          1HB       LYS  25   2.754  -3.543   4.942
  195   2HB   LYS  25          2HB       LYS  25   2.245  -4.936   5.873
  196   1HG   LYS  25          2HG       LYS  25   2.133  -3.171   7.432
  197   2HG   LYS  25          1HG       LYS  25   3.661  -3.926   7.818
  198   1HD   LYS  25          2HD       LYS  25   4.720  -2.080   6.240
  199   2HD   LYS  25          1HD       LYS  25   3.140  -1.351   6.316
  200   1HE   LYS  25          2HE       LYS  25   4.611  -0.340   7.987
  201   2HE   LYS  25          1HE       LYS  25   3.331  -1.235   8.802
  202   1HZ   LYS  25          1HZ       LYS  25   4.854  -2.438   9.808
  203   2HZ   LYS  25          2HZ       LYS  25   6.083  -1.559   9.031
  204   3HZ   LYS  25          3HZ       LYS  25   5.473  -2.974   8.320
  205    H    HIS  26           H        HIS  26   4.486  -4.977   2.854
  206    HA   HIS  26           HA       HIS  26   3.688  -7.848   2.741
  207   1HB   HIS  26          1HB       HIS  26   3.166  -5.650   0.725
  208   2HB   HIS  26          2HB       HIS  26   2.631  -7.317   0.592
  209    HD1  HIS  26           HD1      HIS  26   1.253  -7.979   3.003
  210    HD2  HIS  26           HD2      HIS  26   1.147  -4.086   1.780
  211    HE1  HIS  26           HE1      HIS  26  -0.692  -6.950   4.122
  212    H    SER  27           H        SER  27   5.454  -5.476   0.946
  213    HA   SER  27           HA       SER  27   7.265  -7.593  -0.181
  214   1HB   SER  27          2HB       SER  27   5.920  -6.414  -1.923
  215   2HB   SER  27          1HB       SER  27   6.552  -4.851  -1.375
  216    HG   SER  27           HG       SER  27   8.289  -5.277  -2.444
  217    H    LYS  28           H        LYS  28   8.539  -7.515   1.675
  218    HA   LYS  28           HA       LYS  28  10.069  -5.019   2.219
  219   1HB   LYS  28          1HB       LYS  28   8.911  -6.163   4.056
  220   2HB   LYS  28          2HB       LYS  28   9.808  -7.633   3.757
  221   1HG   LYS  28          2HG       LYS  28  11.964  -6.320   4.277
  222   2HG   LYS  28          1HG       LYS  28  10.955  -4.958   4.703
  223   1HD   LYS  28          2HD       LYS  28  10.780  -7.718   5.993
  224   2HD   LYS  28          1HD       LYS  28  11.677  -6.378   6.673
  225   1HE   LYS  28          2HE       LYS  28   8.657  -6.337   6.173
  226   2HE   LYS  28          1HE       LYS  28   9.432  -6.595   7.723
  227   1HZ   LYS  28          1HZ       LYS  28   9.555  -4.444   7.977
  228   2HZ   LYS  28          2HZ       LYS  28   8.871  -4.179   6.448
  229   3HZ   LYS  28          3HZ       LYS  28  10.553  -4.307   6.611
  230    H    GLU  29           H        GLU  29  11.616  -7.946   3.066
  231    HA   GLU  29           HA       GLU  29  13.435  -7.776   0.707
  232   1HB   GLU  29          1HB       GLU  29  14.286  -7.745   3.630
  233   2HB   GLU  29          2HB       GLU  29  15.387  -7.869   2.267
  234   1HG   GLU  29          2HG       GLU  29  14.654  -5.674   1.418
  235   2HG   GLU  29          1HG       GLU  29  13.460  -5.528   2.691
  236    H    LYS  30           H        LYS  30  12.240  -9.752   0.109
  237    HA   LYS  30           HA       LYS  30  13.435 -12.166   1.440
  238   1HB   LYS  30          1HB       LYS  30  11.446 -13.417   0.848
  239   2HB   LYS  30          2HB       LYS  30  10.979 -12.034   1.822
  240   1HG   LYS  30          2HG       LYS  30  10.374 -10.793  -0.296
  241   2HG   LYS  30          1HG       LYS  30  10.751 -12.229  -1.220
  242   1HD   LYS  30          2HD       LYS  30   8.592 -12.032   0.916
  243   2HD   LYS  30          1HD       LYS  30   8.316 -12.005  -0.813
  244   1HE   LYS  30          2HE       LYS  30   7.852 -14.262  -0.183
  245   2HE   LYS  30          1HE       LYS  30   9.461 -14.336  -0.877
  246   1HZ   LYS  30          1HZ       LYS  30  10.212 -15.141   1.006
  247   2HZ   LYS  30          2HZ       LYS  30   8.647 -15.087   1.668
  248   3HZ   LYS  30          3HZ       LYS  30   9.695 -13.765   1.857
  Start of MODEL    2
    1   1H    LYS   1          1H        LYS   1 -10.897   8.197  -3.648
    2   2H    LYS   1          2H        LYS   1 -11.963   9.331  -4.319
    3   3H    LYS   1          3H        LYS   1 -12.565   7.884  -3.663
    4    HA   LYS   1           HA       LYS   1 -12.133  10.343  -2.403
    5   1HB   LYS   1          2HB       LYS   1 -13.186   7.598  -1.587
    6   2HB   LYS   1          1HB       LYS   1 -13.021   8.858  -0.385
    7   1HG   LYS   1          2HG       LYS   1 -15.300   8.856  -1.258
    8   2HG   LYS   1          1HG       LYS   1 -14.503  10.353  -1.672
    9   1HD   LYS   1          2HD       LYS   1 -15.774   9.624  -3.583
   10   2HD   LYS   1          1HD       LYS   1 -14.087   9.452  -3.996
   11   1HE   LYS   1          2HE       LYS   1 -14.250   6.980  -3.487
   12   2HE   LYS   1          1HE       LYS   1 -15.940   7.206  -3.065
   13   1HZ   LYS   1          1HZ       LYS   1 -14.830   6.813  -5.592
   14   2HZ   LYS   1          2HZ       LYS   1 -15.508   8.370  -5.560
   15   3HZ   LYS   1          3HZ       LYS   1 -16.462   7.019  -5.176
   16    H    THR   2           H        THR   2 -10.891   7.147  -1.436
   17    HA   THR   2           HA       THR   2  -8.527   8.511  -0.184
   18    HB   THR   2           HB       THR   2 -10.157   7.598   1.529
   19    HG1  THR   2           HG1      THR   2  -7.987   5.935   1.757
   20   1HG2  THR   2          1HG2      THR   2  -9.278   4.858   0.460
   21   2HG2  THR   2          2HG2      THR   2 -10.899   5.496   0.241
   22   3HG2  THR   2          3HG2      THR   2 -10.301   5.142   1.854
   23    H    TYR   3           H        TYR   3  -7.031   6.473   0.415
   24    HA   TYR   3           HA       TYR   3  -6.436   5.028  -2.133
   25   1HB   TYR   3          1HB       TYR   3  -4.396   5.971  -0.065
   26   2HB   TYR   3          2HB       TYR   3  -4.083   5.360  -1.678
   27    HD1  TYR   3           HD1      TYR   3  -5.709   6.822  -3.494
   28    HD2  TYR   3           HD2      TYR   3  -3.930   8.244   0.104
   29    HE1  TYR   3           HE1      TYR   3  -5.779   9.104  -4.365
   30    HE2  TYR   3           HE2      TYR   3  -3.994  10.525  -0.769
   31    HH   TYR   3           HH       TYR   3  -5.226  11.213  -4.033
   32    H    GLN   4           H        GLN   4  -6.175   2.866  -1.904
   33    HA   GLN   4           HA       GLN   4  -6.004   1.764   0.870
   34   1HB   GLN   4          1HB       GLN   4  -8.038   1.261  -1.237
   35   2HB   GLN   4          2HB       GLN   4  -7.422  -0.190  -0.492
   36   1HG   GLN   4          2HG       GLN   4  -7.841   1.165   1.776
   37   2HG   GLN   4          1HG       GLN   4  -8.983   2.058   0.774
   38   1HE2  GLN   4          2HE2      GLN   4  -8.217  -0.978   2.219
   39   2HE2  GLN   4          1HE2      GLN   4  -9.660  -1.798   1.855
   40    H    CYS   5           H        CYS   5  -5.628  -0.507   0.954
   41    HA   CYS   5           HA       CYS   5  -3.217  -1.170  -0.659
   42   1HB   CYS   5          1HB       CYS   5  -2.983  -1.225   1.765
   43   2HB   CYS   5          2HB       CYS   5  -4.387  -2.287   1.911
   44    H    GLN   6           H        GLN   6  -3.061  -3.175  -1.674
   45    HA   GLN   6           HA       GLN   6  -5.649  -4.600  -2.191
   46   1HB   GLN   6          1HB       GLN   6  -3.325  -4.199  -4.134
   47   2HB   GLN   6          2HB       GLN   6  -4.867  -4.940  -4.506
   48   1HG   GLN   6          2HG       GLN   6  -5.219  -2.767  -5.334
   49   2HG   GLN   6          1HG       GLN   6  -5.893  -2.618  -3.724
   50   1HE2  GLN   6          1HE2      GLN   6  -5.181  -0.292  -4.895
   51   2HE2  GLN   6          2HE2      GLN   6  -3.749   0.335  -4.230
   52    H    TYR   7           H        TYR   7  -3.823  -5.140  -0.147
   53    HA   TYR   7           HA       TYR   7  -2.932  -7.903  -0.854
   54   1HB   TYR   7          1HB       TYR   7  -1.443  -5.960   0.969
   55   2HB   TYR   7          2HB       TYR   7  -0.871  -7.544   0.470
   56    HD1  TYR   7           HD1      TYR   7  -0.902  -7.845  -2.261
   57    HD2  TYR   7           HD2      TYR   7  -0.601  -4.123  -0.206
   58    HE1  TYR   7           HE1      TYR   7   0.067  -6.804  -4.260
   59    HE2  TYR   7           HE2      TYR   7   0.354  -3.102  -2.195
   60    HH   TYR   7           HH       TYR   7   0.950  -3.362  -4.292
   61    H    CYS   8           H        CYS   8  -3.496  -5.628   1.786
   62    HA   CYS   8           HA       CYS   8  -5.014  -7.730   3.292
   63   1HB   CYS   8          1HB       CYS   8  -4.141  -6.844   5.354
   64   2HB   CYS   8          2HB       CYS   8  -2.766  -7.151   4.294
   65    H    GLU   9           H        GLU   9  -5.793  -5.931   5.332
   66    HA   GLU   9           HA       GLU   9  -7.829  -4.285   3.881
   67   1HB   GLU   9          1HB       GLU   9  -7.840  -5.504   6.678
   68   2HB   GLU   9          2HB       GLU   9  -9.120  -4.487   6.039
   69   1HG   GLU   9          2HG       GLU   9  -9.469  -6.112   4.167
   70   2HG   GLU   9          1HG       GLU   9  -8.187  -7.121   4.817
   71    H    PHE  10           H        PHE  10  -5.598  -3.065   3.841
   72    HA   PHE  10           HA       PHE  10  -5.449  -1.132   6.122
   73   1HB   PHE  10          1HB       PHE  10  -3.283  -2.148   5.492
   74   2HB   PHE  10          2HB       PHE  10  -3.505  -1.696   3.815
   75    HD1  PHE  10           HD1      PHE  10  -2.326  -0.564   7.053
   76    HD2  PHE  10           HD2      PHE  10  -3.573   0.776   3.202
   77    HE1  PHE  10           HE1      PHE  10  -1.259   1.608   7.449
   78    HE2  PHE  10           HE2      PHE  10  -2.503   2.962   3.625
   79    HZ   PHE  10           HZ       PHE  10  -1.367   3.387   5.697
   80    H    ARG  11           H        ARG  11  -5.797   0.977   5.782
   81    HA   ARG  11           HA       ARG  11  -6.389   2.037   3.106
   82   1HB   ARG  11          1HB       ARG  11  -8.602   2.985   3.893
   83   2HB   ARG  11          2HB       ARG  11  -8.614   1.247   3.776
   84   1HG   ARG  11          2HG       ARG  11  -8.193   2.708   6.421
   85   2HG   ARG  11          1HG       ARG  11  -9.759   2.213   5.827
   86   1HD   ARG  11          2HD       ARG  11  -8.922  -0.177   5.734
   87   2HD   ARG  11          1HD       ARG  11  -7.439   0.349   6.528
   88    HE   ARG  11           HE       ARG  11 -10.135   0.638   7.765
   89   1HH1  ARG  11          1HH1      ARG  11  -7.536  -1.339   8.023
   90   2HH1  ARG  11          2HH1      ARG  11  -7.110  -0.916   9.649
   91   1HH2  ARG  11          1HH2      ARG  11  -9.297   1.792   9.770
   92   2HH2  ARG  11          2HH2      ARG  11  -8.135   0.872  10.670
   93    H    SER  12           H        SER  12  -5.786   4.113   2.896
   94    HA   SER  12           HA       SER  12  -5.510   5.871   5.240
   95   1HB   SER  12          2HB       SER  12  -3.189   4.958   3.473
   96   2HB   SER  12          1HB       SER  12  -2.963   6.279   4.538
   97    HG   SER  12           HG       SER  12  -2.840   5.016   6.139
   98    H    ALA  13           H        ALA  13  -5.319   8.075   4.649
   99    HA   ALA  13           HA       ALA  13  -6.031   8.666   1.782
  100   1HB   ALA  13          1HB       ALA  13  -7.954   8.999   3.387
  101   2HB   ALA  13          2HB       ALA  13  -7.428  10.522   2.689
  102   3HB   ALA  13          3HB       ALA  13  -6.955  10.097   4.329
  103    H    ASP  14           H        ASP  14  -3.538   8.321   2.741
  104    HA   ASP  14           HA       ASP  14  -2.384  11.082   2.926
  105   1HB   ASP  14          1HB       ASP  14  -1.993   9.569   4.907
  106   2HB   ASP  14          2HB       ASP  14  -1.230   8.398   3.842
  107    H    SER  15           H        SER  15  -1.418   7.885   1.951
  108    HA   SER  15           HA       SER  15  -1.052   7.100  -0.314
  109   1HB   SER  15          2HB       SER  15  -1.312   9.359  -1.481
  110   2HB   SER  15          1HB       SER  15   0.268   9.848  -0.848
  111    HG   SER  15           HG       SER  15   1.123   8.695  -2.343
  112    H    SER  16           H        SER  16   1.237   9.380   1.182
  113    HA   SER  16           HA       SER  16   3.588   7.841   0.687
  114   1HB   SER  16          2HB       SER  16   3.489  10.302   1.508
  115   2HB   SER  16          1HB       SER  16   3.224   9.643   3.127
  116    HG   SER  16           HG       SER  16   5.154   8.246   1.919
  117    H    ASN  17           H        ASN  17   1.336   7.901   3.379
  118    HA   ASN  17           HA       ASN  17   2.717   5.971   5.012
  119   1HB   ASN  17          1HB       ASN  17   0.925   7.636   5.789
  120   2HB   ASN  17          2HB       ASN  17  -0.274   6.598   5.037
  121   1HD2  ASN  17          1HD2      ASN  17  -1.229   5.185   6.578
  122   2HD2  ASN  17          2HD2      ASN  17  -0.403   4.572   7.918
  123    H    LEU  18           H        LEU  18   0.449   5.751   2.394
  124    HA   LEU  18           HA       LEU  18  -0.228   2.957   2.811
  125   1HB   LEU  18          1HB       LEU  18  -1.812   4.449   1.684
  126   2HB   LEU  18          2HB       LEU  18  -0.614   4.892   0.472
  127    HG   LEU  18           HG       LEU  18  -0.668   2.590  -0.448
  128   1HD1  LEU  18          1HD1      LEU  18  -2.379   0.983   0.345
  129   2HD1  LEU  18          2HD1      LEU  18  -2.886   2.114   1.586
  130   3HD1  LEU  18          3HD1      LEU  18  -1.295   1.367   1.667
  131   1HD2  LEU  18          1HD2      LEU  18  -2.975   2.761  -1.362
  132   2HD2  LEU  18          2HD2      LEU  18  -2.208   4.334  -1.288
  133   3HD2  LEU  18          3HD2      LEU  18  -3.400   3.880  -0.074
  134    H    LYS  19           H        LYS  19   1.823   4.602   0.357
  135    HA   LYS  19           HA       LYS  19   2.741   2.124  -0.745
  136   1HB   LYS  19          1HB       LYS  19   4.600   3.510  -1.751
  137   2HB   LYS  19          2HB       LYS  19   3.045   4.272  -1.959
  138   1HG   LYS  19          2HG       LYS  19   3.510   5.822  -0.097
  139   2HG   LYS  19          1HG       LYS  19   5.030   5.021   0.240
  140   1HD   LYS  19          2HD       LYS  19   5.578   6.954  -1.079
  141   2HD   LYS  19          1HD       LYS  19   5.766   5.573  -2.130
  142   1HE   LYS  19          2HE       LYS  19   4.606   7.195  -3.455
  143   2HE   LYS  19          1HE       LYS  19   3.344   6.079  -2.965
  144   1HZ   LYS  19          1HZ       LYS  19   3.538   8.811  -2.493
  145   2HZ   LYS  19          2HZ       LYS  19   3.607   8.030  -0.992
  146   3HZ   LYS  19          3HZ       LYS  19   2.283   7.793  -2.025
  147    H    THR  20           H        THR  20   4.003   4.096   1.973
  148    HA   THR  20           HA       THR  20   6.313   2.404   2.367
  149    HB   THR  20           HB       THR  20   4.718   4.064   4.445
  150    HG1  THR  20           HG1      THR  20   5.415   5.367   2.942
  151   1HG2  THR  20          1HG2      THR  20   6.510   2.415   5.401
  152   2HG2  THR  20          2HG2      THR  20   6.902   4.108   5.656
  153   3HG2  THR  20          3HG2      THR  20   7.683   3.210   4.365
  154    H    HIS  21           H        HIS  21   3.011   2.395   3.792
  155    HA   HIS  21           HA       HIS  21   3.170   0.214   5.452
  156   1HB   HIS  21          1HB       HIS  21   1.020   1.245   5.317
  157   2HB   HIS  21          2HB       HIS  21   0.932   1.134   3.581
  158    HD1  HIS  21           HD1      HIS  21   0.864  -1.180   6.533
  159    HD2  HIS  21           HD2      HIS  21  -0.225  -1.161   2.591
  160    HE1  HIS  21           HE1      HIS  21  -0.359  -3.290   6.133
  161    H    ILE  22           H        ILE  22   2.389  -0.008   1.966
  162    HA   ILE  22           HA       ILE  22   2.471  -2.773   1.692
  163    HB   ILE  22           HB       ILE  22   3.325  -0.615  -0.322
  164   1HG1  ILE  22          2HG1      ILE  22   0.628  -2.022   0.004
  165   2HG1  ILE  22          1HG1      ILE  22   0.963  -0.474   0.734
  166   1HG2  ILE  22          1HG2      ILE  22   2.768  -2.340  -2.057
  167   2HG2  ILE  22          2HG2      ILE  22   2.423  -3.505  -0.789
  168   3HG2  ILE  22          3HG2      ILE  22   4.058  -2.917  -1.027
  169   1HD1  ILE  22          1HD       ILE  22   1.050  -1.032  -2.259
  170   2HD1  ILE  22          2HD       ILE  22   1.402   0.508  -1.499
  171   3HD1  ILE  22          3HD       ILE  22  -0.210  -0.168  -1.399
  172    H    LYS  23           H        LYS  23   5.162  -0.558   1.143
  173    HA   LYS  23           HA       LYS  23   7.154  -2.420   0.624
  174   1HB   LYS  23          1HB       LYS  23   7.350  -0.004   0.118
  175   2HB   LYS  23          2HB       LYS  23   7.316   0.397   1.819
  176   1HG   LYS  23          2HG       LYS  23   9.618   0.529   0.955
  177   2HG   LYS  23          1HG       LYS  23   9.511  -0.721   2.166
  178   1HD   LYS  23          2HD       LYS  23   9.242  -2.408   0.232
  179   2HD   LYS  23          1HD       LYS  23   9.547  -1.082  -0.873
  180   1HE   LYS  23          2HE       LYS  23  11.648  -2.285  -0.446
  181   2HE   LYS  23          1HE       LYS  23  11.765  -0.714   0.323
  182   1HZ   LYS  23          1HZ       LYS  23  12.059  -1.694   2.260
  183   2HZ   LYS  23          2HZ       LYS  23  12.001  -3.213   1.496
  184   3HZ   LYS  23          3HZ       LYS  23  10.577  -2.519   2.108
  185    H    THR  24           H        THR  24   5.870  -1.716   3.725
  186    HA   THR  24           HA       THR  24   8.231  -3.058   5.020
  187    HB   THR  24           HB       THR  24   7.723  -0.832   5.979
  188    HG1  THR  24           HG1      THR  24   8.329  -1.892   7.676
  189   1HG2  THR  24          1HG2      THR  24   5.641  -0.471   7.243
  190   2HG2  THR  24          2HG2      THR  24   5.052  -2.072   6.842
  191   3HG2  THR  24          3HG2      THR  24   5.193  -0.846   5.593
  192    H    LYS  25           H        LYS  25   4.768  -3.349   4.637
  193    HA   LYS  25           HA       LYS  25   4.598  -5.720   6.372
  194   1HB   LYS  25          1HB       LYS  25   2.577  -3.935   5.001
  195   2HB   LYS  25          2HB       LYS  25   2.071  -5.467   5.691
  196   1HG   LYS  25          2HG       LYS  25   3.764  -3.785   7.493
  197   2HG   LYS  25          1HG       LYS  25   2.240  -3.055   7.051
  198   1HD   LYS  25          2HD       LYS  25   2.006  -4.366   9.124
  199   2HD   LYS  25          1HD       LYS  25   1.017  -5.044   7.850
  200   1HE   LYS  25          2HE       LYS  25   2.167  -6.832   9.103
  201   2HE   LYS  25          1HE       LYS  25   2.742  -6.813   7.446
  202   1HZ   LYS  25          1HZ       LYS  25   4.219  -6.571   9.785
  203   2HZ   LYS  25          2HZ       LYS  25   4.334  -5.081   8.971
  204   3HZ   LYS  25          3HZ       LYS  25   4.773  -6.516   8.182
  205    H    HIS  26           H        HIS  26   4.512  -4.986   2.937
  206    HA   HIS  26           HA       HIS  26   4.043  -7.886   2.392
  207   1HB   HIS  26          1HB       HIS  26   3.296  -5.497   0.631
  208   2HB   HIS  26          2HB       HIS  26   2.884  -7.180   0.339
  209    HD1  HIS  26           HD1      HIS  26   1.526  -8.117   2.712
  210    HD2  HIS  26           HD2      HIS  26   1.108  -4.171   1.690
  211    HE1  HIS  26           HE1      HIS  26  -0.523  -7.313   3.823
  212    H    SER  27           H        SER  27   6.541  -6.956   2.981
  213    HA   SER  27           HA       SER  27   7.965  -7.219   0.372
  214   1HB   SER  27          2HB       SER  27   9.657  -5.519   1.254
  215   2HB   SER  27          1HB       SER  27   8.040  -4.821   1.078
  216    HG   SER  27           HG       SER  27   9.467  -5.220   3.306
  217    H    LYS  28           H        LYS  28   7.620  -9.393   1.523
  218    HA   LYS  28           HA       LYS  28   9.117 -11.279   1.837
  219   1HB   LYS  28          1HB       LYS  28  10.550  -9.482   3.904
  220   2HB   LYS  28          2HB       LYS  28  10.845 -11.178   3.710
  221   1HG   LYS  28          2HG       LYS  28  11.212  -9.293   1.373
  222   2HG   LYS  28          1HG       LYS  28  12.486  -9.621   2.529
  223   1HD   LYS  28          2HD       LYS  28  12.151 -12.120   1.993
  224   2HD   LYS  28          1HD       LYS  28  11.038 -11.631   0.731
  225   1HE   LYS  28          2HE       LYS  28  13.284 -11.954  -0.230
  226   2HE   LYS  28          1HE       LYS  28  12.857 -10.249  -0.313
  227   1HZ   LYS  28          1HZ       LYS  28  14.077 -10.740   2.156
  228   2HZ   LYS  28          2HZ       LYS  28  14.620  -9.768   0.872
  229   3HZ   LYS  28          3HZ       LYS  28  15.055 -11.409   0.939
  230    H    GLU  29           H        GLU  29   8.571  -9.238   4.536
  231    HA   GLU  29           HA       GLU  29   7.968  -9.903   6.771
  232   1HB   GLU  29          1HB       GLU  29   6.430  -8.340   5.471
  233   2HB   GLU  29          2HB       GLU  29   5.417  -9.720   5.125
  234   1HG   GLU  29          2HG       GLU  29   4.512  -8.496   7.063
  235   2HG   GLU  29          1HG       GLU  29   5.042 -10.080   7.583
  236    H    LYS  30           H        LYS  30   8.807 -12.208   6.555
  237    HA   LYS  30           HA       LYS  30   6.553 -14.170   6.839
  238   1HB   LYS  30          1HB       LYS  30   8.108 -15.914   6.112
  239   2HB   LYS  30          2HB       LYS  30   8.071 -14.645   4.909
  240   1HG   LYS  30          2HG       LYS  30  10.205 -13.710   5.884
  241   2HG   LYS  30          1HG       LYS  30  10.236 -15.040   7.032
  242   1HD   LYS  30          2HD       LYS  30  10.247 -16.662   5.118
  243   2HD   LYS  30          1HD       LYS  30  10.299 -15.315   4.000
  244   1HE   LYS  30          2HE       LYS  30  12.583 -16.116   4.307
  245   2HE   LYS  30          1HE       LYS  30  12.457 -14.556   5.108
  246   1HZ   LYS  30          1HZ       LYS  30  11.734 -16.545   6.938
  247   2HZ   LYS  30          2HZ       LYS  30  13.071 -15.498   6.980
  248   3HZ   LYS  30          3HZ       LYS  30  13.196 -17.000   6.203
  Start of MODEL    3
    1   1H    LYS   1          1H        LYS   1 -11.063  10.229  -4.275
    2   2H    LYS   1          2H        LYS   1 -12.352   9.740  -3.283
    3   3H    LYS   1          3H        LYS   1 -10.918   8.828  -3.325
    4    HA   LYS   1           HA       LYS   1 -10.227  11.434  -2.680
    5   1HB   LYS   1          2HB       LYS   1 -11.475  11.575  -0.443
    6   2HB   LYS   1          1HB       LYS   1 -12.407  11.956  -1.869
    7   1HG   LYS   1          2HG       LYS   1 -13.653   9.974  -1.784
    8   2HG   LYS   1          1HG       LYS   1 -12.463   9.108  -0.844
    9   1HD   LYS   1          2HD       LYS   1 -14.458   9.695   0.522
   10   2HD   LYS   1          1HD       LYS   1 -13.007  10.441   1.153
   11   1HE   LYS   1          2HE       LYS   1 -14.910  12.027   1.157
   12   2HE   LYS   1          1HE       LYS   1 -13.642  12.608   0.095
   13   1HZ   LYS   1          1HZ       LYS   1 -15.372  10.951  -1.368
   14   2HZ   LYS   1          2HZ       LYS   1 -15.066  12.611  -1.565
   15   3HZ   LYS   1          3HZ       LYS   1 -16.299  12.091  -0.516
   16    H    THR   2           H        THR   2 -10.853   8.150  -1.597
   17    HA   THR   2           HA       THR   2  -8.466   8.303   0.196
   18    HB   THR   2           HB       THR   2  -9.493   6.229   1.317
   19    HG1  THR   2           HG1      THR   2 -10.931   5.317   0.114
   20   1HG2  THR   2          1HG2      THR   2 -11.513   8.525   1.002
   21   2HG2  THR   2          2HG2      THR   2 -10.184   8.581   2.147
   22   3HG2  THR   2          3HG2      THR   2 -11.445   7.374   2.322
   23    H    TYR   3           H        TYR   3  -7.194   6.350   0.451
   24    HA   TYR   3           HA       TYR   3  -6.894   4.751  -2.049
   25   1HB   TYR   3          1HB       TYR   3  -4.661   5.692  -0.191
   26   2HB   TYR   3          2HB       TYR   3  -4.465   4.809  -1.700
   27    HD1  TYR   3           HD1      TYR   3  -6.154   6.258  -3.617
   28    HD2  TYR   3           HD2      TYR   3  -3.729   7.787  -0.462
   29    HE1  TYR   3           HE1      TYR   3  -5.932   8.380  -4.807
   30    HE2  TYR   3           HE2      TYR   3  -3.505   9.903  -1.663
   31    HH   TYR   3           HH       TYR   3  -4.957  10.371  -4.865
   32    H    GLN   4           H        GLN   4  -6.896   2.621  -1.673
   33    HA   GLN   4           HA       GLN   4  -6.625   1.653   1.149
   34   1HB   GLN   4          1HB       GLN   4  -8.937   1.593  -0.322
   35   2HB   GLN   4          2HB       GLN   4  -8.227   0.112  -0.903
   36   1HG   GLN   4          2HG       GLN   4  -8.427   0.681   2.084
   37   2HG   GLN   4          1HG       GLN   4  -9.808   0.064   1.212
   38   1HE2  GLN   4          2HE2      GLN   4  -8.096  -1.739  -0.548
   39   2HE2  GLN   4          1HE2      GLN   4  -7.628  -2.984   0.510
   40    H    CYS   5           H        CYS   5  -5.771  -0.505   1.296
   41    HA   CYS   5           HA       CYS   5  -3.551  -0.967  -0.588
   42   1HB   CYS   5          1HB       CYS   5  -3.073  -0.883   1.793
   43   2HB   CYS   5          2HB       CYS   5  -4.285  -2.125   2.110
   44    H    GLN   6           H        GLN   6  -3.598  -2.525  -2.107
   45    HA   GLN   6           HA       GLN   6  -5.879  -4.438  -2.079
   46   1HB   GLN   6          1HB       GLN   6  -3.905  -3.659  -4.258
   47   2HB   GLN   6          2HB       GLN   6  -5.213  -4.818  -4.472
   48   1HG   GLN   6          2HG       GLN   6  -6.864  -3.033  -3.797
   49   2HG   GLN   6          1HG       GLN   6  -5.548  -1.874  -3.713
   50   1HE2  GLN   6          1HE2      GLN   6  -7.942  -2.975  -5.738
   51   2HE2  GLN   6          2HE2      GLN   6  -7.264  -2.537  -7.231
   52    H    TYR   7           H        TYR   7  -4.021  -4.900  -0.240
   53    HA   TYR   7           HA       TYR   7  -2.845  -7.535  -1.003
   54   1HB   TYR   7          1HB       TYR   7  -1.693  -5.421   0.899
   55   2HB   TYR   7          2HB       TYR   7  -1.061  -7.048   0.715
   56    HD1  TYR   7           HD1      TYR   7  -0.337  -7.763  -1.673
   57    HD2  TYR   7           HD2      TYR   7  -0.835  -3.701  -0.504
   58    HE1  TYR   7           HE1      TYR   7   1.082  -7.051  -3.530
   59    HE2  TYR   7           HE2      TYR   7   0.593  -2.990  -2.353
   60    HH   TYR   7           HH       TYR   7   1.895  -3.631  -4.028
   61    H    CYS   8           H        CYS   8  -3.744  -5.351   1.585
   62    HA   CYS   8           HA       CYS   8  -5.295  -7.509   2.959
   63   1HB   CYS   8          1HB       CYS   8  -4.577  -6.604   5.098
   64   2HB   CYS   8          2HB       CYS   8  -3.160  -6.972   4.125
   65    H    GLU   9           H        GLU   9  -6.340  -5.964   4.928
   66    HA   GLU   9           HA       GLU   9  -8.218  -4.141   3.460
   67   1HB   GLU   9          1HB       GLU   9  -8.616  -5.580   6.132
   68   2HB   GLU   9          2HB       GLU   9  -9.837  -4.690   5.246
   69   1HG   GLU   9          2HG       GLU   9  -8.479  -7.260   4.293
   70   2HG   GLU   9          1HG       GLU   9 -10.089  -7.154   4.969
   71    H    PHE  10           H        PHE  10  -6.142  -2.895   3.757
   72    HA   PHE  10           HA       PHE  10  -6.228  -1.261   6.263
   73   1HB   PHE  10          1HB       PHE  10  -4.107  -2.458   6.070
   74   2HB   PHE  10          2HB       PHE  10  -3.930  -1.987   4.382
   75    HD1  PHE  10           HD1      PHE  10  -4.165  -0.476   7.818
   76    HD2  PHE  10           HD2      PHE  10  -2.651  -0.109   3.848
   77    HE1  PHE  10           HE1      PHE  10  -2.884   1.517   8.476
   78    HE2  PHE  10           HE2      PHE  10  -1.397   1.919   4.528
   79    HZ   PHE  10           HZ       PHE  10  -1.498   2.700   6.798
   80    H    ARG  11           H        ARG  11  -6.759   0.839   5.994
   81    HA   ARG  11           HA       ARG  11  -6.761   1.998   3.218
   82   1HB   ARG  11          1HB       ARG  11  -8.716   3.335   3.899
   83   2HB   ARG  11          2HB       ARG  11  -9.070   1.641   4.149
   84   1HG   ARG  11          2HG       ARG  11  -8.520   1.905   6.595
   85   2HG   ARG  11          1HG       ARG  11  -8.249   3.621   6.322
   86   1HD   ARG  11          2HD       ARG  11 -10.586   3.863   5.494
   87   2HD   ARG  11          1HD       ARG  11 -10.869   2.152   5.823
   88    HE   ARG  11           HE       ARG  11 -10.175   4.151   7.948
   89   1HH1  ARG  11          2HH1      ARG  11 -13.007   3.092   7.163
   90   2HH1  ARG  11          1HH1      ARG  11 -13.276   1.990   8.471
   91   1HH2  ARG  11          2HH2      ARG  11  -9.915   1.990   9.445
   92   2HH2  ARG  11          1HH2      ARG  11 -11.487   1.349   9.793
   93    H    SER  12           H        SER  12  -5.854   4.093   3.064
   94    HA   SER  12           HA       SER  12  -4.804   5.269   5.603
   95   1HB   SER  12          2HB       SER  12  -2.885   4.801   3.237
   96   2HB   SER  12          1HB       SER  12  -2.506   5.198   4.857
   97    HG   SER  12           HG       SER  12  -3.157   2.832   3.785
   98    H    ALA  13           H        ALA  13  -5.787   5.716   2.353
   99    HA   ALA  13           HA       ALA  13  -5.929   7.622   0.987
  100   1HB   ALA  13          1HB       ALA  13  -7.301   8.432   3.578
  101   2HB   ALA  13          2HB       ALA  13  -8.003   7.462   2.300
  102   3HB   ALA  13          3HB       ALA  13  -7.626   9.157   2.013
  103    H    ASP  14           H        ASP  14  -3.435   7.698   1.956
  104    HA   ASP  14           HA       ASP  14  -2.922  10.610   2.422
  105   1HB   ASP  14          1HB       ASP  14  -2.332   9.300   4.476
  106   2HB   ASP  14          2HB       ASP  14  -1.346   8.223   3.507
  107    H    SER  15           H        SER  15  -1.328   7.669   1.590
  108    HA   SER  15           HA       SER  15  -0.544   6.980  -0.568
  109   1HB   SER  15          2HB       SER  15   0.358   9.933  -0.936
  110   2HB   SER  15          1HB       SER  15   0.630   8.629  -2.089
  111    HG   SER  15           HG       SER  15  -1.601  10.026  -1.656
  112    H    SER  16           H        SER  16   1.514   9.532   0.907
  113    HA   SER  16           HA       SER  16   3.951   8.145   0.681
  114   1HB   SER  16          2HB       SER  16   3.076   9.993   2.965
  115   2HB   SER  16          1HB       SER  16   4.755   9.583   2.563
  116    HG   SER  16           HG       SER  16   4.634  10.943   0.993
  117    H    ASN  17           H        ASN  17   1.680   8.129   3.333
  118    HA   ASN  17           HA       ASN  17   2.968   6.246   5.015
  119   1HB   ASN  17          1HB       ASN  17   1.081   7.826   5.664
  120   2HB   ASN  17          2HB       ASN  17  -0.020   6.799   4.765
  121   1HD2  ASN  17          1HD2      ASN  17   1.174   7.361   7.824
  122   2HD2  ASN  17          2HD2      ASN  17   0.866   5.850   8.534
  123    H    LEU  18           H        LEU  18   0.438   5.824   2.531
  124    HA   LEU  18           HA       LEU  18   0.108   3.030   2.906
  125   1HB   LEU  18          1HB       LEU  18  -1.460   4.599   1.716
  126   2HB   LEU  18          2HB       LEU  18  -0.300   4.734   0.397
  127    HG   LEU  18           HG       LEU  18  -0.701   2.517  -0.360
  128   1HD1  LEU  18          1HD1      LEU  18  -0.715   1.325   1.861
  129   2HD1  LEU  18          2HD1      LEU  18  -2.084   0.875   0.877
  130   3HD1  LEU  18          3HD1      LEU  18  -2.296   2.007   2.208
  131   1HD2  LEU  18          1HD2      LEU  18  -3.198   2.537  -0.657
  132   2HD2  LEU  18          2HD2      LEU  18  -2.531   4.152  -0.828
  133   3HD2  LEU  18          3HD2      LEU  18  -3.341   3.687   0.662
  134    H    LYS  19           H        LYS  19   2.214   4.774   0.652
  135    HA   LYS  19           HA       LYS  19   3.274   2.523  -0.677
  136   1HB   LYS  19          1HB       LYS  19   4.546   5.226   0.104
  137   2HB   LYS  19          2HB       LYS  19   5.342   4.110  -0.988
  138   1HG   LYS  19          2HG       LYS  19   3.775   4.435  -2.703
  139   2HG   LYS  19          1HG       LYS  19   2.514   4.987  -1.623
  140   1HD   LYS  19          2HD       LYS  19   3.425   6.853  -2.976
  141   2HD   LYS  19          1HD       LYS  19   3.681   7.122  -1.267
  142   1HE   LYS  19          2HE       LYS  19   6.054   6.360  -1.507
  143   2HE   LYS  19          1HE       LYS  19   5.787   6.089  -3.224
  144   1HZ   LYS  19          1HZ       LYS  19   4.905   8.663  -2.582
  145   2HZ   LYS  19          2HZ       LYS  19   6.202   8.209  -3.579
  146   3HZ   LYS  19          3HZ       LYS  19   6.454   8.460  -1.918
  147    H    THR  20           H        THR  20   4.544   4.168   2.214
  148    HA   THR  20           HA       THR  20   6.631   2.299   2.722
  149    HB   THR  20           HB       THR  20   4.890   3.800   4.822
  150    HG1  THR  20           HG1      THR  20   5.609   5.235   3.324
  151   1HG2  THR  20          1HG2      THR  20   6.702   2.158   5.696
  152   2HG2  THR  20          2HG2      THR  20   7.012   3.832   6.114
  153   3HG2  THR  20          3HG2      THR  20   7.883   3.087   4.784
  154    H    HIS  21           H        HIS  21   3.288   2.291   3.965
  155    HA   HIS  21           HA       HIS  21   3.264  -0.047   5.391
  156   1HB   HIS  21          1HB       HIS  21   1.263   1.326   5.177
  157   2HB   HIS  21          2HB       HIS  21   1.144   1.036   3.460
  158    HD1  HIS  21           HD1      HIS  21   0.587  -0.769   6.674
  159    HD2  HIS  21           HD2      HIS  21   0.025  -1.340   2.669
  160    HE1  HIS  21           HE1      HIS  21  -0.816  -2.797   6.451
  161    H    ILE  22           H        ILE  22   2.745   0.107   1.814
  162    HA   ILE  22           HA       ILE  22   2.667  -2.700   1.433
  163    HB   ILE  22           HB       ILE  22   3.579  -0.500  -0.480
  164   1HG1  ILE  22          2HG1      ILE  22   0.860  -1.864  -0.196
  165   2HG1  ILE  22          1HG1      ILE  22   1.225  -0.332   0.562
  166   1HG2  ILE  22          1HG2      ILE  22   4.302  -2.764  -1.256
  167   2HG2  ILE  22          2HG2      ILE  22   3.013  -2.160  -2.273
  168   3HG2  ILE  22          3HG2      ILE  22   2.667  -3.362  -1.040
  169   1HD1  ILE  22          1HD       ILE  22   1.720   0.665  -1.653
  170   2HD1  ILE  22          2HD       ILE  22   0.082   0.036  -1.581
  171   3HD1  ILE  22          3HD       ILE  22   1.323  -0.856  -2.440
  172    H    LYS  23           H        LYS  23   5.462  -0.549   1.234
  173    HA   LYS  23           HA       LYS  23   7.313  -2.702   0.677
  174   1HB   LYS  23          1HB       LYS  23   7.535  -0.441  -0.306
  175   2HB   LYS  23          2HB       LYS  23   7.680   0.264   1.289
  176   1HG   LYS  23          2HG       LYS  23   9.856  -0.771   1.636
  177   2HG   LYS  23          1HG       LYS  23   9.694  -1.728   0.168
  178   1HD   LYS  23          2HD       LYS  23   9.701   0.361  -1.182
  179   2HD   LYS  23          1HD       LYS  23   9.751   1.327   0.283
  180   1HE   LYS  23          2HE       LYS  23  11.922  -0.666  -0.496
  181   2HE   LYS  23          1HE       LYS  23  12.011   1.063  -0.791
  182   1HZ   LYS  23          1HZ       LYS  23  12.651  -0.330   1.534
  183   2HZ   LYS  23          2HZ       LYS  23  11.331   0.678   1.888
  184   3HZ   LYS  23          3HZ       LYS  23  12.750   1.340   1.238
  185    H    THR  24           H        THR  24   5.886  -1.949   3.467
  186    HA   THR  24           HA       THR  24   8.255  -2.775   5.127
  187    HB   THR  24           HB       THR  24   5.882  -1.023   5.975
  188    HG1  THR  24           HG1      THR  24   7.153   0.352   5.020
  189   1HG2  THR  24          1HG2      THR  24   8.556  -1.665   7.366
  190   2HG2  THR  24          2HG2      THR  24   7.026  -2.365   7.875
  191   3HG2  THR  24          3HG2      THR  24   7.280  -0.633   7.995
  192    H    LYS  25           H        LYS  25   4.834  -3.167   4.617
  193    HA   LYS  25           HA       LYS  25   4.600  -5.412   6.504
  194   1HB   LYS  25          1HB       LYS  25   2.517  -3.834   4.937
  195   2HB   LYS  25          2HB       LYS  25   2.115  -5.138   6.032
  196   1HG   LYS  25          2HG       LYS  25   3.548  -2.542   6.766
  197   2HG   LYS  25          1HG       LYS  25   1.856  -2.885   7.058
  198   1HD   LYS  25          2HD       LYS  25   2.524  -4.819   8.528
  199   2HD   LYS  25          1HD       LYS  25   4.212  -4.395   8.288
  200   1HE   LYS  25          2HE       LYS  25   3.437  -3.425  10.394
  201   2HE   LYS  25          1HE       LYS  25   3.777  -2.134   9.249
  202   1HZ   LYS  25          1HZ       LYS  25   1.114  -2.932   8.923
  203   2HZ   LYS  25          2HZ       LYS  25   1.715  -1.440   9.471
  204   3HZ   LYS  25          3HZ       LYS  25   1.393  -2.686  10.578
  205    H    HIS  26           H        HIS  26   4.292  -4.723   3.054
  206    HA   HIS  26           HA       HIS  26   3.819  -7.659   2.602
  207   1HB   HIS  26          1HB       HIS  26   3.223  -5.270   0.792
  208   2HB   HIS  26          2HB       HIS  26   2.812  -6.940   0.448
  209    HD1  HIS  26           HD1      HIS  26   1.253  -7.964   2.548
  210    HD2  HIS  26           HD2      HIS  26   1.137  -3.922   1.979
  211    HE1  HIS  26           HE1      HIS  26  -0.821  -7.166   3.636
  212    H    SER  27           H        SER  27   6.248  -6.698   3.278
  213    HA   SER  27           HA       SER  27   7.898  -7.318   0.888
  214   1HB   SER  27          2HB       SER  27   9.470  -5.444   1.507
  215   2HB   SER  27          1HB       SER  27   7.845  -4.802   1.211
  216    HG   SER  27           HG       SER  27   7.683  -4.355   3.253
  217    H    LYS  28           H        LYS  28  10.235  -7.321   1.748
  218    HA   LYS  28           HA       LYS  28  11.513  -9.198   2.606
  219   1HB   LYS  28          1HB       LYS  28  11.348  -6.852   4.493
  220   2HB   LYS  28          2HB       LYS  28  12.661  -8.002   4.518
  221   1HG   LYS  28          2HG       LYS  28  13.464  -7.395   2.379
  222   2HG   LYS  28          1HG       LYS  28  11.981  -6.612   1.904
  223   1HD   LYS  28          2HD       LYS  28  13.631  -5.488   4.184
  224   2HD   LYS  28          1HD       LYS  28  14.041  -5.129   2.523
  225   1HE   LYS  28          2HE       LYS  28  12.608  -3.333   3.233
  226   2HE   LYS  28          1HE       LYS  28  11.587  -4.340   2.232
  227   1HZ   LYS  28          1HZ       LYS  28  10.227  -4.631   3.902
  228   2HZ   LYS  28          2HZ       LYS  28  11.154  -3.561   4.835
  229   3HZ   LYS  28          3HZ       LYS  28  11.465  -5.220   4.905
  230    H    GLU  29           H        GLU  29   9.773 -10.741   3.009
  231    HA   GLU  29           HA       GLU  29   9.465 -11.337   5.922
  232   1HB   GLU  29          1HB       GLU  29   7.275 -12.372   5.398
  233   2HB   GLU  29          2HB       GLU  29   7.285 -10.673   5.010
  234   1HG   GLU  29          2HG       GLU  29   7.760 -12.793   2.869
  235   2HG   GLU  29          1HG       GLU  29   6.152 -12.293   3.332
  236    H    LYS  30           H        LYS  30   9.220 -13.526   6.433
  237    HA   LYS  30           HA       LYS  30  10.972 -15.351   6.320
  238   1HB   LYS  30          1HB       LYS  30   8.128 -16.017   5.503
  239   2HB   LYS  30          2HB       LYS  30   9.293 -17.224   6.016
  240   1HG   LYS  30          2HG       LYS  30   9.560 -16.035   8.199
  241   2HG   LYS  30          1HG       LYS  30   8.388 -14.832   7.688
  242   1HD   LYS  30          2HD       LYS  30   6.641 -16.575   7.486
  243   2HD   LYS  30          1HD       LYS  30   7.805 -17.812   7.929
  244   1HE   LYS  30          2HE       LYS  30   8.113 -16.733  10.150
  245   2HE   LYS  30          1HE       LYS  30   6.969 -15.472   9.702
  246   1HZ   LYS  30          1HZ       LYS  30   6.437 -17.980  10.787
  247   2HZ   LYS  30          2HZ       LYS  30   5.770 -17.947   9.226
  248   3HZ   LYS  30          3HZ       LYS  30   5.339 -16.760  10.359
  Start of MODEL    4
    1   1H    LYS   1          1H        LYS   1 -11.386  11.342  -2.169
    2   2H    LYS   1          2H        LYS   1 -10.749  11.246  -0.601
    3   3H    LYS   1          3H        LYS   1 -12.428  11.162  -0.838
    4    HA   LYS   1           HA       LYS   1 -12.318   8.987  -0.972
    5   1HB   LYS   1          2HB       LYS   1 -10.381   9.588  -3.256
    6   2HB   LYS   1          1HB       LYS   1 -10.933   7.969  -2.904
    7   1HG   LYS   1          2HG       LYS   1 -12.838  10.254  -3.544
    8   2HG   LYS   1          1HG       LYS   1 -12.201   9.149  -4.746
    9   1HD   LYS   1          2HD       LYS   1 -13.157   7.213  -3.421
   10   2HD   LYS   1          1HD       LYS   1 -13.905   8.369  -2.334
   11   1HE   LYS   1          2HE       LYS   1 -15.228   9.317  -4.180
   12   2HE   LYS   1          1HE       LYS   1 -14.432   8.249  -5.332
   13   1HZ   LYS   1          1HZ       LYS   1 -15.891   6.697  -4.850
   14   2HZ   LYS   1          2HZ       LYS   1 -16.664   7.733  -3.749
   15   3HZ   LYS   1          3HZ       LYS   1 -15.422   6.706  -3.219
   16    H    THR   2           H        THR   2 -10.906   7.055  -0.936
   17    HA   THR   2           HA       THR   2  -8.388   7.537   0.621
   18    HB   THR   2           HB       THR   2  -9.026   5.460   1.974
   19    HG1  THR   2           HG1      THR   2 -10.489   4.299   1.033
   20   1HG2  THR   2          1HG2      THR   2 -11.359   7.466   1.852
   21   2HG2  THR   2          2HG2      THR   2  -9.909   7.735   2.803
   22   3HG2  THR   2          3HG2      THR   2 -10.974   6.397   3.192
   23    H    TYR   3           H        TYR   3  -7.010   5.583   0.587
   24    HA   TYR   3           HA       TYR   3  -7.033   4.228  -2.083
   25   1HB   TYR   3          1HB       TYR   3  -4.638   4.785  -0.295
   26   2HB   TYR   3          2HB       TYR   3  -4.602   4.236  -1.964
   27    HD1  TYR   3           HD1      TYR   3  -6.226   6.015  -3.492
   28    HD2  TYR   3           HD2      TYR   3  -3.907   6.942  -0.033
   29    HE1  TYR   3           HE1      TYR   3  -6.107   8.364  -4.184
   30    HE2  TYR   3           HE2      TYR   3  -3.793   9.279  -0.732
   31    HH   TYR   3           HH       TYR   3  -4.384  10.785  -2.240
   32    H    GLN   4           H        GLN   4  -6.940   2.027  -1.990
   33    HA   GLN   4           HA       GLN   4  -6.903   0.789   0.734
   34   1HB   GLN   4          1HB       GLN   4  -8.987   0.450  -0.573
   35   2HB   GLN   4          2HB       GLN   4  -8.062  -0.273  -1.872
   36   1HG   GLN   4          2HG       GLN   4  -9.000  -2.068  -0.477
   37   2HG   GLN   4          1HG       GLN   4  -7.270  -2.077  -0.269
   38   1HE2  GLN   4          1HE2      GLN   4  -6.761  -2.425   1.908
   39   2HE2  GLN   4          2HE2      GLN   4  -7.644  -1.794   3.209
   40    H    CYS   5           H        CYS   5  -5.352  -0.398   1.227
   41    HA   CYS   5           HA       CYS   5  -2.900  -0.649   0.295
   42   1HB   CYS   5          1HB       CYS   5  -3.609  -1.511   2.400
   43   2HB   CYS   5          2HB       CYS   5  -4.496  -2.826   1.648
   44    H    GLN   6           H        GLN   6  -5.111  -3.281  -0.465
   45    HA   GLN   6           HA       GLN   6  -5.316  -4.177  -2.763
   46   1HB   GLN   6          1HB       GLN   6  -3.247  -3.014  -3.684
   47   2HB   GLN   6          2HB       GLN   6  -2.239  -4.104  -2.743
   48   1HG   GLN   6          2HG       GLN   6  -3.297  -6.045  -4.042
   49   2HG   GLN   6          1HG       GLN   6  -4.065  -4.835  -5.067
   50   1HE2  GLN   6          1HE2      GLN   6  -1.389  -6.798  -4.931
   51   2HE2  GLN   6          2HE2      GLN   6  -0.320  -5.877  -5.871
   52    H    TYR   7           H        TYR   7  -3.022  -4.820  -0.298
   53    HA   TYR   7           HA       TYR   7  -3.194  -7.763  -0.587
   54   1HB   TYR   7          1HB       TYR   7  -1.481  -6.028   1.233
   55   2HB   TYR   7          2HB       TYR   7  -1.294  -7.763   1.016
   56    HD1  TYR   7           HD1      TYR   7  -0.764  -8.627  -1.355
   57    HD2  TYR   7           HD2      TYR   7  -0.521  -4.497  -0.333
   58    HE1  TYR   7           HE1      TYR   7   0.602  -8.207  -3.345
   59    HE2  TYR   7           HE2      TYR   7   0.833  -4.083  -2.324
   60    HH   TYR   7           HH       TYR   7   1.938  -4.992  -4.011
   61    H    CYS   8           H        CYS   8  -3.530  -5.428   2.103
   62    HA   CYS   8           HA       CYS   8  -5.339  -7.410   3.444
   63   1HB   CYS   8          1HB       CYS   8  -4.626  -6.469   5.566
   64   2HB   CYS   8          2HB       CYS   8  -3.203  -6.877   4.626
   65    H    GLU   9           H        GLU   9  -6.409  -5.820   5.318
   66    HA   GLU   9           HA       GLU   9  -8.287  -4.122   3.736
   67   1HB   GLU   9          1HB       GLU   9  -8.604  -5.238   6.567
   68   2HB   GLU   9          2HB       GLU   9  -9.827  -4.389   5.656
   69   1HG   GLU   9          2HG       GLU   9 -10.356  -6.710   5.428
   70   2HG   GLU   9          1HG       GLU   9  -9.722  -6.198   3.880
   71    H    PHE  10           H        PHE  10  -5.976  -2.966   4.029
   72    HA   PHE  10           HA       PHE  10  -6.182  -0.993   6.269
   73   1HB   PHE  10          1HB       PHE  10  -4.034  -2.201   6.162
   74   2HB   PHE  10          2HB       PHE  10  -3.809  -1.745   4.479
   75    HD1  PHE  10           HD1      PHE  10  -4.326  -0.232   7.893
   76    HD2  PHE  10           HD2      PHE  10  -2.613   0.245   4.016
   77    HE1  PHE  10           HE1      PHE  10  -3.249   1.851   8.620
   78    HE2  PHE  10           HE2      PHE  10  -1.559   2.386   4.783
   79    HZ   PHE  10           HZ       PHE  10  -1.862   3.146   7.029
   80    H    ARG  11           H        ARG  11  -7.180   0.729   5.687
   81    HA   ARG  11           HA       ARG  11  -6.920   1.853   2.921
   82   1HB   ARG  11          1HB       ARG  11  -9.148   3.006   3.450
   83   2HB   ARG  11          2HB       ARG  11  -9.246   1.293   3.172
   84   1HG   ARG  11          2HG       ARG  11  -9.247   2.574   5.934
   85   2HG   ARG  11          1HG       ARG  11 -10.684   2.164   5.031
   86   1HD   ARG  11          2HD       ARG  11  -9.654  -0.278   4.945
   87   2HD   ARG  11          1HD       ARG  11  -8.665   0.281   6.287
   88    HE   ARG  11           HE       ARG  11 -11.634   0.272   6.357
   89   1HH1  ARG  11          1HH2      ARG  11  -9.241  -1.497   7.671
   90   2HH1  ARG  11          2HH2      ARG  11  -9.554  -1.080   9.319
   91   1HH2  ARG  11          2HH1      ARG  11 -11.681   1.571   8.470
   92   2HH2  ARG  11          1HH1      ARG  11 -10.946   0.728   9.791
   93    H    SER  12           H        SER  12  -5.979   3.695   2.830
   94    HA   SER  12           HA       SER  12  -5.751   5.460   5.248
   95   1HB   SER  12          2HB       SER  12  -3.415   4.848   3.358
   96   2HB   SER  12          1HB       SER  12  -3.235   5.499   4.936
   97    HG   SER  12           HG       SER  12  -4.682   3.409   5.370
   98    H    ALA  13           H        ALA  13  -5.140   7.712   4.615
   99    HA   ALA  13           HA       ALA  13  -5.952   8.372   1.808
  100   1HB   ALA  13          1HB       ALA  13  -7.893   8.683   3.304
  101   2HB   ALA  13          2HB       ALA  13  -7.329  10.230   2.697
  102   3HB   ALA  13          3HB       ALA  13  -6.947   9.741   4.342
  103    H    ASP  14           H        ASP  14  -3.362   8.184   2.554
  104    HA   ASP  14           HA       ASP  14  -2.465  11.049   2.670
  105   1HB   ASP  14          1HB       ASP  14  -1.818   9.779   4.732
  106   2HB   ASP  14          2HB       ASP  14  -1.013   8.579   3.733
  107    H    SER  15           H        SER  15  -1.035   7.976   1.964
  108    HA   SER  15           HA       SER  15  -0.549   7.079  -0.253
  109   1HB   SER  15          2HB       SER  15  -1.035   9.226  -1.571
  110   2HB   SER  15          1HB       SER  15   0.454   9.935  -0.922
  111    HG   SER  15           HG       SER  15   1.482   8.843  -2.356
  112    H    SER  16           H        SER  16   1.477   9.713   1.030
  113    HA   SER  16           HA       SER  16   3.968   8.378   0.730
  114   1HB   SER  16          2HB       SER  16   4.817  10.122   2.368
  115   2HB   SER  16          1HB       SER  16   3.786  10.839   1.116
  116    HG   SER  16           HG       SER  16   3.387  10.734   3.753
  117    H    ASN  17           H        ASN  17   1.480   7.719   2.859
  118    HA   ASN  17           HA       ASN  17   3.226   6.400   4.886
  119   1HB   ASN  17          1HB       ASN  17   1.413   7.926   5.725
  120   2HB   ASN  17          2HB       ASN  17   0.213   6.964   4.877
  121   1HD2  ASN  17          1HD2      ASN  17   1.531   7.441   7.885
  122   2HD2  ASN  17          2HD2      ASN  17   1.223   5.920   8.569
  123    H    LEU  18           H        LEU  18   0.411   5.861   2.786
  124    HA   LEU  18           HA       LEU  18   0.148   3.099   3.181
  125   1HB   LEU  18          1HB       LEU  18  -1.529   4.513   1.996
  126   2HB   LEU  18          2HB       LEU  18  -0.425   4.704   0.641
  127    HG   LEU  18           HG       LEU  18  -0.518   2.257   0.190
  128   1HD1  LEU  18          1HD1      LEU  18  -2.121   0.823   1.456
  129   2HD1  LEU  18          2HD1      LEU  18  -2.520   2.170   2.502
  130   3HD1  LEU  18          3HD1      LEU  18  -0.918   1.454   2.543
  131   1HD2  LEU  18          1HD2      LEU  18  -2.206   3.746  -0.864
  132   2HD2  LEU  18          2HD2      LEU  18  -3.270   3.486   0.510
  133   3HD2  LEU  18          3HD2      LEU  18  -2.871   2.151  -0.557
  134    H    LYS  19           H        LYS  19   2.206   4.765   0.782
  135    HA   LYS  19           HA       LYS  19   3.048   2.386  -0.538
  136   1HB   LYS  19          1HB       LYS  19   4.929   3.781  -1.418
  137   2HB   LYS  19          2HB       LYS  19   3.528   4.827  -1.325
  138   1HG   LYS  19          2HG       LYS  19   4.318   5.681   0.891
  139   2HG   LYS  19          1HG       LYS  19   5.730   4.649   0.764
  140   1HD   LYS  19          2HD       LYS  19   6.400   5.842  -1.337
  141   2HD   LYS  19          1HD       LYS  19   5.112   7.003  -1.023
  142   1HE   LYS  19          2HE       LYS  19   7.217   7.825  -0.005
  143   2HE   LYS  19          1HE       LYS  19   6.096   7.407   1.280
  144   1HZ   LYS  19          1HZ       LYS  19   8.642   6.434   0.916
  145   2HZ   LYS  19          2HZ       LYS  19   7.612   5.153   0.492
  146   3HZ   LYS  19          3HZ       LYS  19   7.464   5.853   2.015
  147    H    THR  20           H        THR  20   4.415   4.038   2.281
  148    HA   THR  20           HA       THR  20   6.620   2.262   2.682
  149    HB   THR  20           HB       THR  20   4.953   3.807   4.809
  150    HG1  THR  20           HG1      THR  20   7.326   4.845   4.138
  151   1HG2  THR  20          1HG2      THR  20   7.048   3.728   6.130
  152   2HG2  THR  20          2HG2      THR  20   7.868   2.851   4.849
  153   3HG2  THR  20          3HG2      THR  20   6.582   2.076   5.760
  154    H    HIS  21           H        HIS  21   3.351   2.240   4.002
  155    HA   HIS  21           HA       HIS  21   3.400  -0.107   5.474
  156   1HB   HIS  21          1HB       HIS  21   1.417   1.302   5.418
  157   2HB   HIS  21          2HB       HIS  21   1.175   1.030   3.707
  158    HD1  HIS  21           HD1      HIS  21   0.694  -0.741   6.941
  159    HD2  HIS  21           HD2      HIS  21   0.072  -1.398   2.961
  160    HE1  HIS  21           HE1      HIS  21  -0.727  -2.766   6.779
  161    H    ILE  22           H        ILE  22   2.540   0.012   1.958
  162    HA   ILE  22           HA       ILE  22   2.509  -2.844   1.699
  163    HB   ILE  22           HB       ILE  22   2.908  -0.723  -0.487
  164   1HG1  ILE  22          2HG1      ILE  22   0.352  -2.100   0.496
  165   2HG1  ILE  22          1HG1      ILE  22   0.804  -0.487   0.991
  166   1HG2  ILE  22          1HG2      ILE  22   2.049  -2.464  -1.996
  167   2HG2  ILE  22          2HG2      ILE  22   2.005  -3.602  -0.649
  168   3HG2  ILE  22          3HG2      ILE  22   3.534  -2.997  -1.252
  169   1HD1  ILE  22          1HD       ILE  22   0.759   0.282  -1.357
  170   2HD1  ILE  22          2HD       ILE  22  -0.792  -0.369  -0.856
  171   3HD1  ILE  22          3HD       ILE  22   0.258  -1.317  -1.892
  172    H    LYS  23           H        LYS  23   5.172  -0.632   1.609
  173    HA   LYS  23           HA       LYS  23   6.972  -2.612   0.386
  174   1HB   LYS  23          1HB       LYS  23   7.439   0.219   1.407
  175   2HB   LYS  23          2HB       LYS  23   8.669  -0.748   0.621
  176   1HG   LYS  23          2HG       LYS  23   7.465  -0.780  -1.463
  177   2HG   LYS  23          1HG       LYS  23   6.026  -0.078  -0.743
  178   1HD   LYS  23          2HD       LYS  23   7.252   2.021  -0.263
  179   2HD   LYS  23          1HD       LYS  23   8.746   1.318  -0.855
  180   1HE   LYS  23          2HE       LYS  23   6.251   1.796  -2.543
  181   2HE   LYS  23          1HE       LYS  23   7.699   2.793  -2.550
  182   1HZ   LYS  23          1HZ       LYS  23   8.490   0.149  -2.908
  183   2HZ   LYS  23          2HZ       LYS  23   8.596   1.439  -4.005
  184   3HZ   LYS  23          3HZ       LYS  23   7.211   0.454  -3.985
  185    H    THR  24           H        THR  24   5.920  -1.967   3.442
  186    HA   THR  24           HA       THR  24   8.399  -3.086   4.711
  187    HB   THR  24           HB       THR  24   6.208  -1.367   6.004
  188    HG1  THR  24           HG1      THR  24   7.315  -0.191   4.603
  189   1HG2  THR  24          1HG2      THR  24   9.085  -2.045   6.879
  190   2HG2  THR  24          2HG2      THR  24   7.684  -2.832   7.590
  191   3HG2  THR  24          3HG2      THR  24   7.912  -1.103   7.787
  192    H    LYS  25           H        LYS  25   4.927  -3.270   4.592
  193    HA   LYS  25           HA       LYS  25   4.740  -5.614   6.336
  194   1HB   LYS  25          1HB       LYS  25   2.590  -4.010   4.891
  195   2HB   LYS  25          2HB       LYS  25   2.279  -5.244   6.093
  196   1HG   LYS  25          2HG       LYS  25   3.832  -2.667   6.589
  197   2HG   LYS  25          1HG       LYS  25   2.133  -2.876   6.923
  198   1HD   LYS  25          2HD       LYS  25   2.699  -4.723   8.541
  199   2HD   LYS  25          1HD       LYS  25   4.404  -4.451   8.226
  200   1HE   LYS  25          2HE       LYS  25   3.690  -3.237  10.274
  201   2HE   LYS  25          1HE       LYS  25   4.193  -2.103   9.032
  202   1HZ   LYS  25          1HZ       LYS  25   1.462  -2.609   8.703
  203   2HZ   LYS  25          2HZ       LYS  25   2.228  -1.160   9.137
  204   3HZ   LYS  25          3HZ       LYS  25   1.743  -2.258  10.339
  205    H    HIS  26           H        HIS  26   4.153  -4.689   2.955
  206    HA   HIS  26           HA       HIS  26   3.686  -7.597   2.345
  207   1HB   HIS  26          1HB       HIS  26   2.832  -5.122   0.800
  208   2HB   HIS  26          2HB       HIS  26   2.433  -6.778   0.382
  209    HD1  HIS  26           HD1      HIS  26   1.292  -7.986   2.756
  210    HD2  HIS  26           HD2      HIS  26   0.816  -3.969   2.215
  211    HE1  HIS  26           HE1      HIS  26  -0.641  -7.324   4.155
  212    H    SER  27           H        SER  27   6.119  -6.873   2.778
  213    HA   SER  27           HA       SER  27   7.524  -7.165   0.166
  214   1HB   SER  27          2HB       SER  27   7.777  -4.787   1.082
  215   2HB   SER  27          1HB       SER  27   8.475  -5.465   2.557
  216    HG   SER  27           HG       SER  27   9.645  -6.569   0.409
  217    H    LYS  28           H        LYS  28   9.958  -7.756   1.174
  218    HA   LYS  28           HA       LYS  28  10.790 -10.015   1.658
  219   1HB   LYS  28          1HB       LYS  28  11.793  -9.536   3.984
  220   2HB   LYS  28          2HB       LYS  28  12.064  -8.318   2.751
  221   1HG   LYS  28          2HG       LYS  28  10.097  -7.010   3.629
  222   2HG   LYS  28          1HG       LYS  28   9.880  -8.210   4.889
  223   1HD   LYS  28          2HD       LYS  28  12.084  -7.671   5.827
  224   2HD   LYS  28          1HD       LYS  28  12.410  -6.566   4.499
  225   1HE   LYS  28          2HE       LYS  28  11.641  -5.299   6.477
  226   2HE   LYS  28          1HE       LYS  28  10.448  -5.171   5.196
  227   1HZ   LYS  28          1HZ       LYS  28  10.108  -6.141   7.780
  228   2HZ   LYS  28          2HZ       LYS  28   9.847  -7.436   6.714
  229   3HZ   LYS  28          3HZ       LYS  28   8.952  -6.000   6.541
  230    H    GLU  29           H        GLU  29   8.721 -11.144   1.473
  231    HA   GLU  29           HA       GLU  29   7.632 -12.200   4.046
  232   1HB   GLU  29          1HB       GLU  29   6.052 -11.094   2.448
  233   2HB   GLU  29          2HB       GLU  29   6.487 -12.277   1.233
  234   1HG   GLU  29          2HG       GLU  29   5.588 -14.094   2.721
  235   2HG   GLU  29          1HG       GLU  29   5.173 -12.879   3.923
  236    H    LYS  30           H        LYS  30   9.202 -13.031   1.074
  237    HA   LYS  30           HA       LYS  30   9.217 -15.939   1.772
  238   1HB   LYS  30          1HB       LYS  30   9.887 -14.554  -0.852
  239   2HB   LYS  30          2HB       LYS  30   9.837 -16.287  -0.594
  240   1HG   LYS  30          2HG       LYS  30   7.436 -16.217  -0.129
  241   2HG   LYS  30          1HG       LYS  30   7.425 -14.463  -0.188
  242   1HD   LYS  30          2HD       LYS  30   8.142 -14.539  -2.572
  243   2HD   LYS  30          1HD       LYS  30   8.145 -16.297  -2.514
  244   1HE   LYS  30          2HE       LYS  30   5.713 -16.296  -2.010
  245   2HE   LYS  30          1HE       LYS  30   5.707 -14.535  -2.014
  246   1HZ   LYS  30          1HZ       LYS  30   5.447 -14.573  -4.177
  247   2HZ   LYS  30          2HZ       LYS  30   5.463 -16.273  -4.179
  248   3HZ   LYS  30          3HZ       LYS  30   6.912 -15.413  -4.372
  Start of MODEL    5
    1   1H    LYS   1          1H        LYS   1 -13.126   8.518  -1.780
    2   2H    LYS   1          2H        LYS   1 -11.482   8.228  -2.088
    3   3H    LYS   1          3H        LYS   1 -12.274   9.516  -2.854
    4    HA   LYS   1           HA       LYS   1 -11.723  10.864  -1.249
    5   1HB   LYS   1          2HB       LYS   1 -12.573  10.424   1.109
    6   2HB   LYS   1          1HB       LYS   1 -13.803  10.400  -0.132
    7   1HG   LYS   1          2HG       LYS   1 -14.037   8.031  -0.055
    8   2HG   LYS   1          1HG       LYS   1 -12.542   7.784   0.812
    9   1HD   LYS   1          2HD       LYS   1 -13.478   8.963   2.790
   10   2HD   LYS   1          1HD       LYS   1 -14.973   9.232   1.916
   11   1HE   LYS   1          2HE       LYS   1 -15.147   7.291   3.447
   12   2HE   LYS   1          1HE       LYS   1 -15.377   6.807   1.779
   13   1HZ   LYS   1          1HZ       LYS   1 -13.529   5.851   3.623
   14   2HZ   LYS   1          2HZ       LYS   1 -12.633   6.553   2.370
   15   3HZ   LYS   1          3HZ       LYS   1 -13.772   5.365   2.020
   16    H    THR   2           H        THR   2 -11.101   7.564  -0.185
   17    HA   THR   2           HA       THR   2  -8.422   8.407   0.838
   18    HB   THR   2           HB       THR   2  -8.711   6.577   2.606
   19    HG1  THR   2           HG1      THR   2 -10.634   5.944   0.821
   20   1HG2  THR   2          1HG2      THR   2 -10.625   7.509   3.878
   21   2HG2  THR   2          2HG2      THR   2 -11.301   8.232   2.438
   22   3HG2  THR   2          3HG2      THR   2  -9.840   8.886   3.129
   23    H    TYR   3           H        TYR   3  -7.060   6.265   1.106
   24    HA   TYR   3           HA       TYR   3  -7.198   4.759  -1.481
   25   1HB   TYR   3          1HB       TYR   3  -4.751   5.501   0.197
   26   2HB   TYR   3          2HB       TYR   3  -4.722   4.506  -1.257
   27    HD1  TYR   3           HD1      TYR   3  -6.164   5.783  -3.288
   28    HD2  TYR   3           HD2      TYR   3  -3.939   7.638  -0.165
   29    HE1  TYR   3           HE1      TYR   3  -5.888   7.786  -4.668
   30    HE2  TYR   3           HE2      TYR   3  -3.655   9.631  -1.547
   31    HH   TYR   3           HH       TYR   3  -5.216   9.921  -4.706
   32    H    GLN   4           H        GLN   4  -7.157   2.617  -1.321
   33    HA   GLN   4           HA       GLN   4  -6.951   1.386   1.411
   34   1HB   GLN   4          1HB       GLN   4  -9.228   1.434   0.121
   35   2HB   GLN   4          2HB       GLN   4  -8.504   0.265  -0.959
   36   1HG   GLN   4          2HG       GLN   4  -8.490  -0.197   2.039
   37   2HG   GLN   4          1HG       GLN   4  -9.910  -0.587   1.093
   38   1HE2  GLN   4          2HE2      GLN   4  -6.980  -1.796   2.215
   39   2HE2  GLN   4          1HE2      GLN   4  -6.886  -3.191   1.265
   40    H    CYS   5           H        CYS   5  -5.819  -0.581   1.443
   41    HA   CYS   5           HA       CYS   5  -3.554  -0.787  -0.327
   42   1HB   CYS   5          1HB       CYS   5  -3.524  -1.317   2.095
   43   2HB   CYS   5          2HB       CYS   5  -4.583  -2.695   1.799
   44    H    GLN   6           H        GLN   6  -2.950  -2.888  -1.379
   45    HA   GLN   6           HA       GLN   6  -5.330  -4.205  -2.664
   46   1HB   GLN   6          1HB       GLN   6  -2.620  -3.616  -3.927
   47   2HB   GLN   6          2HB       GLN   6  -4.004  -4.336  -4.734
   48   1HG   GLN   6          2HG       GLN   6  -5.313  -2.243  -4.384
   49   2HG   GLN   6          1HG       GLN   6  -3.941  -1.515  -3.562
   50   1HE2  GLN   6          1HE2      GLN   6  -5.426  -1.630  -6.531
   51   2HE2  GLN   6          2HE2      GLN   6  -4.099  -1.241  -7.516
   52    H    TYR   7           H        TYR   7  -3.516  -4.843  -0.341
   53    HA   TYR   7           HA       TYR   7  -2.799  -7.628  -1.168
   54   1HB   TYR   7          1HB       TYR   7  -1.259  -5.881   0.787
   55   2HB   TYR   7          2HB       TYR   7  -0.749  -7.449   0.183
   56    HD1  TYR   7           HD1      TYR   7  -0.775  -7.551  -2.563
   57    HD2  TYR   7           HD2      TYR   7  -0.310  -3.999  -0.252
   58    HE1  TYR   7           HE1      TYR   7   0.253  -6.430  -4.480
   59    HE2  TYR   7           HE2      TYR   7   0.715  -2.889  -2.169
   60    HH   TYR   7           HH       TYR   7   1.232  -3.020  -4.310
   61    H    CYS   8           H        CYS   8  -3.373  -5.455   1.542
   62    HA   CYS   8           HA       CYS   8  -4.887  -7.619   2.967
   63   1HB   CYS   8          1HB       CYS   8  -4.154  -6.707   5.062
   64   2HB   CYS   8          2HB       CYS   8  -2.717  -6.883   4.063
   65    H    GLU   9           H        GLU   9  -5.942  -6.076   4.905
   66    HA   GLU   9           HA       GLU   9  -7.880  -4.343   3.436
   67   1HB   GLU   9          1HB       GLU   9  -9.354  -4.953   5.530
   68   2HB   GLU   9          2HB       GLU   9  -9.095  -6.152   4.291
   69   1HG   GLU   9          2HG       GLU   9  -8.829  -7.126   6.563
   70   2HG   GLU   9          1HG       GLU   9  -7.353  -7.270   5.642
   71    H    PHE  10           H        PHE  10  -5.811  -2.964   3.863
   72    HA   PHE  10           HA       PHE  10  -6.164  -1.351   6.370
   73   1HB   PHE  10          1HB       PHE  10  -3.841  -2.191   6.121
   74   2HB   PHE  10          2HB       PHE  10  -3.767  -1.610   4.465
   75    HD1  PHE  10           HD1      PHE  10  -3.915  -0.538   8.022
   76    HD2  PHE  10           HD2      PHE  10  -3.345   0.742   3.994
   77    HE1  PHE  10           HE1      PHE  10  -3.142   1.654   8.816
   78    HE2  PHE  10           HE2      PHE  10  -2.581   2.959   4.821
   79    HZ   PHE  10           HZ       PHE  10  -2.473   3.395   7.193
   80    H    ARG  11           H        ARG  11  -6.744   0.784   6.096
   81    HA   ARG  11           HA       ARG  11  -6.668   1.988   3.382
   82   1HB   ARG  11          1HB       ARG  11  -8.963   0.888   3.760
   83   2HB   ARG  11          2HB       ARG  11  -9.158   1.948   5.130
   84   1HG   ARG  11          2HG       ARG  11  -8.967   3.952   3.635
   85   2HG   ARG  11          1HG       ARG  11  -8.757   2.890   2.259
   86   1HD   ARG  11          2HD       ARG  11 -11.106   3.636   2.401
   87   2HD   ARG  11          1HD       ARG  11 -11.007   1.898   2.679
   88    HE   ARG  11           HE       ARG  11 -11.180   2.399   5.128
   89   1HH1  ARG  11          1HH1      ARG  11 -10.698   5.370   4.734
   90   2HH1  ARG  11          2HH1      ARG  11 -12.294   6.007   4.965
   91   1HH2  ARG  11          2HH2      ARG  11 -13.810   2.871   4.577
   92   2HH2  ARG  11          1HH2      ARG  11 -14.105   4.552   4.865
   93    H    SER  12           H        SER  12  -6.296   4.136   3.487
   94    HA   SER  12           HA       SER  12  -6.448   5.510   6.109
   95   1HB   SER  12          2HB       SER  12  -3.974   4.694   4.629
   96   2HB   SER  12          1HB       SER  12  -3.791   6.140   5.530
   97    HG   SER  12           HG       SER  12  -3.957   5.042   7.301
   98    H    ALA  13           H        ALA  13  -5.046   6.264   2.964
   99    HA   ALA  13           HA       ALA  13  -6.188   7.809   1.383
  100   1HB   ALA  13          1HB       ALA  13  -7.854   8.703   3.044
  101   2HB   ALA  13          2HB       ALA  13  -7.032   9.997   2.210
  102   3HB   ALA  13          3HB       ALA  13  -6.573   9.587   3.851
  103    H    ASP  14           H        ASP  14  -3.486   7.292   2.501
  104    HA   ASP  14           HA       ASP  14  -2.292   9.964   1.830
  105   1HB   ASP  14          1HB       ASP  14  -1.990   8.967   4.284
  106   2HB   ASP  14          2HB       ASP  14  -0.867   7.878   3.508
  107    H    SER  15           H        SER  15  -0.321   9.867   0.652
  108    HA   SER  15           HA       SER  15   0.167   7.281  -0.762
  109   1HB   SER  15          2HB       SER  15   0.324   8.650  -2.920
  110   2HB   SER  15          1HB       SER  15  -1.259   8.831  -2.162
  111    HG   SER  15           HG       SER  15   0.638  10.684  -2.554
  112    H    SER  16           H        SER  16   1.470   8.644   1.407
  113    HA   SER  16           HA       SER  16   4.251   8.816   0.333
  114   1HB   SER  16          2HB       SER  16   3.087  10.451   2.681
  115   2HB   SER  16          1HB       SER  16   4.716  10.585   2.019
  116    HG   SER  16           HG       SER  16   3.923  11.802   0.529
  117    H    ASN  17           H        ASN  17   1.972   8.025   2.793
  118    HA   ASN  17           HA       ASN  17   3.877   6.343   4.299
  119   1HB   ASN  17          1HB       ASN  17   2.472   7.986   5.573
  120   2HB   ASN  17          2HB       ASN  17   1.021   7.201   4.971
  121   1HD2  ASN  17          2HD2      ASN  17   0.189   5.688   6.392
  122   2HD2  ASN  17          1HD2      ASN  17   1.092   4.800   7.524
  123    H    LEU  18           H        LEU  18   0.814   6.152   2.415
  124    HA   LEU  18           HA       LEU  18   0.267   3.426   3.043
  125   1HB   LEU  18          1HB       LEU  18  -1.334   4.899   1.827
  126   2HB   LEU  18          2HB       LEU  18  -0.268   4.914   0.426
  127    HG   LEU  18           HG       LEU  18  -0.628   2.513   0.045
  128   1HD1  LEU  18          1HD1      LEU  18  -0.844   1.739   2.432
  129   2HD1  LEU  18          2HD1      LEU  18  -2.189   1.194   1.459
  130   3HD1  LEU  18          3HD1      LEU  18  -2.394   2.551   2.546
  131   1HD2  LEU  18          1HD2      LEU  18  -2.331   4.095  -0.847
  132   2HD2  LEU  18          2HD2      LEU  18  -3.246   3.946   0.647
  133   3HD2  LEU  18          3HD2      LEU  18  -3.075   2.563  -0.423
  134    H    LYS  19           H        LYS  19   2.506   4.908   0.808
  135    HA   LYS  19           HA       LYS  19   3.212   2.475  -0.595
  136   1HB   LYS  19          1HB       LYS  19   4.838   5.046  -0.103
  137   2HB   LYS  19          2HB       LYS  19   5.242   3.807  -1.283
  138   1HG   LYS  19          2HG       LYS  19   3.182   4.244  -2.536
  139   2HG   LYS  19          1HG       LYS  19   2.610   5.357  -1.312
  140   1HD   LYS  19          2HD       LYS  19   3.468   6.646  -3.183
  141   2HD   LYS  19          1HD       LYS  19   4.528   6.883  -1.811
  142   1HE   LYS  19          2HE       LYS  19   5.124   4.832  -3.978
  143   2HE   LYS  19          1HE       LYS  19   5.685   6.492  -4.071
  144   1HZ   LYS  19          1HZ       LYS  19   7.368   5.956  -2.798
  145   2HZ   LYS  19          2HZ       LYS  19   6.812   4.355  -2.684
  146   3HZ   LYS  19          3HZ       LYS  19   6.322   5.512  -1.540
  147    H    THR  20           H        THR  20   4.557   4.195   2.182
  148    HA   THR  20           HA       THR  20   6.692   2.382   2.760
  149    HB   THR  20           HB       THR  20   4.983   3.912   4.864
  150    HG1  THR  20           HG1      THR  20   7.139   5.222   3.944
  151   1HG2  THR  20          1HG2      THR  20   7.167   4.173   6.001
  152   2HG2  THR  20          2HG2      THR  20   8.016   3.426   4.657
  153   3HG2  THR  20          3HG2      THR  20   6.973   2.456   5.681
  154    H    HIS  21           H        HIS  21   3.357   2.420   3.825
  155    HA   HIS  21           HA       HIS  21   3.244   0.170   5.452
  156   1HB   HIS  21          1HB       HIS  21   1.230   1.493   5.171
  157   2HB   HIS  21          2HB       HIS  21   1.214   1.275   3.437
  158    HD1  HIS  21           HD1      HIS  21   0.331  -0.566   6.532
  159    HD2  HIS  21           HD2      HIS  21   0.214  -1.161   2.493
  160    HE1  HIS  21           HE1      HIS  21  -1.033  -2.591   6.169
  161    H    ILE  22           H        ILE  22   2.600   0.167   1.901
  162    HA   ILE  22           HA       ILE  22   2.563  -2.573   1.483
  163    HB   ILE  22           HB       ILE  22   3.716  -0.405  -0.340
  164   1HG1  ILE  22          2HG1      ILE  22   0.932  -1.678  -0.284
  165   2HG1  ILE  22          1HG1      ILE  22   1.292  -0.134   0.442
  166   1HG2  ILE  22          1HG2      ILE  22   4.439  -2.689  -1.060
  167   2HG2  ILE  22          2HG2      ILE  22   3.278  -2.041  -2.190
  168   3HG2  ILE  22          3HG2      ILE  22   2.775  -3.238  -1.005
  169   1HD1  ILE  22          1HD       ILE  22   1.987   0.772  -1.767
  170   2HD1  ILE  22          2HD       ILE  22   0.332   0.190  -1.796
  171   3HD1  ILE  22          3HD       ILE  22   1.607  -0.769  -2.523
  172    H    LYS  23           H        LYS  23   5.460  -0.552   1.510
  173    HA   LYS  23           HA       LYS  23   7.304  -2.702   0.998
  174   1HB   LYS  23          1HB       LYS  23   7.573  -0.221   0.498
  175   2HB   LYS  23          2HB       LYS  23   7.931   0.010   2.197
  176   1HG   LYS  23          2HG       LYS  23   9.898  -1.373   2.077
  177   2HG   LYS  23          1HG       LYS  23   9.467  -1.986   0.487
  178   1HD   LYS  23          2HD       LYS  23   9.663   0.389  -0.391
  179   2HD   LYS  23          1HD       LYS  23  10.238   0.875   1.195
  180   1HE   LYS  23          2HE       LYS  23  12.177  -0.629   0.994
  181   2HE   LYS  23          1HE       LYS  23  11.572  -1.248  -0.537
  182   1HZ   LYS  23          1HZ       LYS  23  12.560   0.406  -1.560
  183   2HZ   LYS  23          2HZ       LYS  23  13.146   1.002  -0.080
  184   3HZ   LYS  23          3HZ       LYS  23  11.652   1.539  -0.681
  185    H    THR  24           H        THR  24   5.787  -1.762   3.860
  186    HA   THR  24           HA       THR  24   7.863  -3.019   5.610
  187    HB   THR  24           HB       THR  24   5.430  -1.291   6.317
  188    HG1  THR  24           HG1      THR  24   6.919  -0.093   5.395
  189   1HG2  THR  24          1HG2      THR  24   6.226  -2.833   8.235
  190   2HG2  THR  24          2HG2      THR  24   6.511  -1.132   8.547
  191   3HG2  THR  24          3HG2      THR  24   7.837  -2.160   8.028
  192    H    LYS  25           H        LYS  25   4.531  -3.294   4.693
  193    HA   LYS  25           HA       LYS  25   4.041  -5.680   6.342
  194   1HB   LYS  25          1HB       LYS  25   2.152  -4.044   4.623
  195   2HB   LYS  25          2HB       LYS  25   1.654  -5.310   5.730
  196   1HG   LYS  25          2HG       LYS  25   2.942  -2.632   6.390
  197   2HG   LYS  25          1HG       LYS  25   1.302  -3.122   6.739
  198   1HD   LYS  25          2HD       LYS  25   2.152  -4.884   8.297
  199   2HD   LYS  25          1HD       LYS  25   3.790  -4.322   8.011
  200   1HE   LYS  25          2HE       LYS  25   1.548  -2.606   9.144
  201   2HE   LYS  25          1HE       LYS  25   2.876  -3.295  10.067
  202   1HZ   LYS  25          1HZ       LYS  25   4.099  -1.567   9.537
  203   2HZ   LYS  25          2HZ       LYS  25   2.823  -0.909   8.631
  204   3HZ   LYS  25          3HZ       LYS  25   3.955  -1.929   7.886
  205    H    HIS  26           H        HIS  26   4.254  -4.814   2.933
  206    HA   HIS  26           HA       HIS  26   3.719  -7.687   2.277
  207   1HB   HIS  26          1HB       HIS  26   3.204  -5.247   0.545
  208   2HB   HIS  26          2HB       HIS  26   2.734  -6.898   0.190
  209    HD1  HIS  26           HD1      HIS  26   1.324  -7.885   2.490
  210    HD2  HIS  26           HD2      HIS  26   1.078  -3.890   1.676
  211    HE1  HIS  26           HE1      HIS  26  -0.688  -7.062   3.653
  212    H    SER  27           H        SER  27   6.330  -6.275   2.814
  213    HA   SER  27           HA       SER  27   7.771  -7.375   0.453
  214   1HB   SER  27          2HB       SER  27   7.678  -4.840   0.193
  215   2HB   SER  27          1HB       SER  27   8.464  -4.699   1.770
  216    HG   SER  27           HG       SER  27   9.567  -5.235  -0.592
  217    H    LYS  28           H        LYS  28   8.165  -5.841   3.523
  218    HA   LYS  28           HA       LYS  28   9.958  -8.048   4.502
  219   1HB   LYS  28          1HB       LYS  28  10.038  -5.119   5.400
  220   2HB   LYS  28          2HB       LYS  28  11.224  -6.368   5.749
  221   1HG   LYS  28          2HG       LYS  28  11.818  -6.509   3.356
  222   2HG   LYS  28          1HG       LYS  28  10.580  -5.338   2.956
  223   1HD   LYS  28          2HD       LYS  28  11.820  -3.695   4.514
  224   2HD   LYS  28          1HD       LYS  28  13.141  -4.855   4.516
  225   1HE   LYS  28          2HE       LYS  28  13.503  -3.233   2.698
  226   2HE   LYS  28          1HE       LYS  28  13.126  -4.792   1.979
  227   1HZ   LYS  28          1HZ       LYS  28  10.735  -3.368   2.501
  228   2HZ   LYS  28          2HZ       LYS  28  11.330  -3.937   1.037
  229   3HZ   LYS  28          3HZ       LYS  28  11.795  -2.400   1.606
  230    H    GLU  29           H        GLU  29   7.352  -8.235   4.542
  231    HA   GLU  29           HA       GLU  29   5.383  -7.661   5.986
  232   1HB   GLU  29          1HB       GLU  29   5.862  -9.977   5.137
  233   2HB   GLU  29          2HB       GLU  29   6.682 -10.331   6.647
  234   1HG   GLU  29          2HG       GLU  29   4.492  -9.615   7.824
  235   2HG   GLU  29          1HG       GLU  29   3.748  -9.629   6.240
  236    H    LYS  30           H        LYS  30   7.813  -9.263   7.997
  237    HA   LYS  30           HA       LYS  30   6.937  -7.598  10.335
  238   1HB   LYS  30          1HB       LYS  30   8.073 -10.437  10.318
  239   2HB   LYS  30          2HB       LYS  30   7.645  -9.532  11.755
  240   1HG   LYS  30          2HG       LYS  30   5.686 -10.349   9.572
  241   2HG   LYS  30          1HG       LYS  30   5.882 -11.184  11.098
  242   1HD   LYS  30          2HD       LYS  30   5.299  -8.975  12.272
  243   2HD   LYS  30          1HD       LYS  30   4.884  -8.331  10.693
  244   1HE   LYS  30          2HE       LYS  30   3.587 -10.775  11.965
  245   2HE   LYS  30          1HE       LYS  30   2.872  -9.173  11.858
  246   1HZ   LYS  30          1HZ       LYS  30   2.828 -11.217   9.965
  247   2HZ   LYS  30          2HZ       LYS  30   3.717  -9.927   9.314
  248   3HZ   LYS  30          3HZ       LYS  30   2.136  -9.666   9.865
  Start of MODEL    6
    1   1H    LYS   1          1H        LYS   1  -6.183  11.807  -2.728
    2   2H    LYS   1          2H        LYS   1  -7.201  13.137  -3.018
    3   3H    LYS   1          3H        LYS   1  -6.863  12.045  -4.267
    4    HA   LYS   1           HA       LYS   1  -8.936  11.975  -2.385
    5   1HB   LYS   1          2HB       LYS   1  -9.725  10.151  -3.867
    6   2HB   LYS   1          1HB       LYS   1  -9.083  11.468  -4.821
    7   1HG   LYS   1          2HG       LYS   1  -6.878  10.167  -4.990
    8   2HG   LYS   1          1HG       LYS   1  -7.716   8.799  -4.287
    9   1HD   LYS   1          2HD       LYS   1  -8.547  10.244  -6.853
   10   2HD   LYS   1          1HD       LYS   1  -7.709   8.710  -6.785
   11   1HE   LYS   1          2HE       LYS   1  -9.648   7.657  -5.676
   12   2HE   LYS   1          1HE       LYS   1 -10.496   9.196  -5.628
   13   1HZ   LYS   1          1HZ       LYS   1 -11.247   8.827  -7.625
   14   2HZ   LYS   1          2HZ       LYS   1 -10.446   7.334  -7.684
   15   3HZ   LYS   1          3HZ       LYS   1  -9.676   8.737  -8.257
   16    H    THR   2           H        THR   2  -9.455   9.206  -2.058
   17    HA   THR   2           HA       THR   2  -7.519   8.636   0.128
   18    HB   THR   2           HB       THR   2  -9.266   6.887   0.817
   19    HG1  THR   2           HG1      THR   2 -11.166   7.864  -0.818
   20   1HG2  THR   2          1HG2      THR   2 -10.483   9.652   0.225
   21   2HG2  THR   2          2HG2      THR   2  -9.493   9.303   1.633
   22   3HG2  THR   2          3HG2      THR   2 -11.044   8.510   1.439
   23    H    TYR   3           H        TYR   3  -6.704   6.460   0.414
   24    HA   TYR   3           HA       TYR   3  -6.334   4.948  -2.097
   25   1HB   TYR   3          1HB       TYR   3  -4.257   5.477   0.060
   26   2HB   TYR   3          2HB       TYR   3  -4.035   4.702  -1.503
   27    HD1  TYR   3           HD1      TYR   3  -4.497   6.144  -3.633
   28    HD2  TYR   3           HD2      TYR   3  -3.989   7.813   0.252
   29    HE1  TYR   3           HE1      TYR   3  -4.000   8.331  -4.625
   30    HE2  TYR   3           HE2      TYR   3  -3.477   9.991  -0.741
   31    HH   TYR   3           HH       TYR   3  -3.442  10.415  -4.271
   32    H    GLN   4           H        GLN   4  -6.249   2.794  -1.894
   33    HA   GLN   4           HA       GLN   4  -6.841   1.558   0.767
   34   1HB   GLN   4          1HB       GLN   4  -8.882   1.602  -0.563
   35   2HB   GLN   4          2HB       GLN   4  -8.033   1.063  -1.992
   36   1HG   GLN   4          2HG       GLN   4  -9.402  -0.743  -0.997
   37   2HG   GLN   4          1HG       GLN   4  -7.706  -1.171  -1.006
   38   1HE2  GLN   4          2HE2      GLN   4  -6.929  -1.923   0.909
   39   2HE2  GLN   4          1HE2      GLN   4  -7.634  -1.664   2.424
   40    H    CYS   5           H        CYS   5  -5.733  -0.368   1.227
   41    HA   CYS   5           HA       CYS   5  -3.313  -0.864  -0.305
   42   1HB   CYS   5          1HB       CYS   5  -3.333  -1.121   2.143
   43   2HB   CYS   5          2HB       CYS   5  -4.604  -2.335   2.025
   44    H    GLN   6           H        GLN   6  -2.826  -2.812  -1.412
   45    HA   GLN   6           HA       GLN   6  -5.217  -4.353  -2.373
   46   1HB   GLN   6          1HB       GLN   6  -2.604  -3.784  -3.837
   47   2HB   GLN   6          2HB       GLN   6  -4.018  -4.588  -4.507
   48   1HG   GLN   6          2HG       GLN   6  -5.339  -2.456  -4.138
   49   2HG   GLN   6          1HG       GLN   6  -3.888  -1.685  -3.525
   50   1HE2  GLN   6          1HE2      GLN   6  -3.380  -3.881  -6.214
   51   2HE2  GLN   6          2HE2      GLN   6  -3.189  -2.668  -7.387
   52    H    TYR   7           H        TYR   7  -3.835  -4.945  -0.043
   53    HA   TYR   7           HA       TYR   7  -2.809  -7.661  -0.679
   54   1HB   TYR   7          1HB       TYR   7  -1.455  -5.671   1.158
   55   2HB   TYR   7          2HB       TYR   7  -0.962  -7.348   0.966
   56    HD1  TYR   7           HD1      TYR   7  -0.397  -8.108  -1.481
   57    HD2  TYR   7           HD2      TYR   7  -0.551  -4.035  -0.258
   58    HE1  TYR   7           HE1      TYR   7   0.961  -7.481  -3.414
   59    HE2  TYR   7           HE2      TYR   7   0.818  -3.404  -2.194
   60    HH   TYR   7           HH       TYR   7   2.055  -4.156  -3.916
   61    H    CYS   8           H        CYS   8  -3.424  -5.516   2.051
   62    HA   CYS   8           HA       CYS   8  -4.901  -7.723   3.436
   63   1HB   CYS   8          1HB       CYS   8  -4.083  -6.816   5.525
   64   2HB   CYS   8          2HB       CYS   8  -2.717  -7.037   4.435
   65    H    GLU   9           H        GLU   9  -5.472  -5.477   5.486
   66    HA   GLU   9           HA       GLU   9  -8.018  -4.640   4.256
   67   1HB   GLU   9          1HB       GLU   9  -7.980  -5.808   6.505
   68   2HB   GLU   9          2HB       GLU   9  -7.110  -4.435   7.153
   69   1HG   GLU   9          2HG       GLU   9  -9.499  -4.154   7.655
   70   2HG   GLU   9          1HG       GLU   9  -9.022  -2.930   6.497
   71    H    PHE  10           H        PHE  10  -5.421  -3.234   6.075
   72    HA   PHE  10           HA       PHE  10  -5.625  -0.727   6.585
   73   1HB   PHE  10          1HB       PHE  10  -3.424  -1.798   6.209
   74   2HB   PHE  10          2HB       PHE  10  -3.553  -1.481   4.487
   75    HD1  PHE  10           HD1      PHE  10  -3.080   0.012   7.809
   76    HD2  PHE  10           HD2      PHE  10  -3.341   0.867   3.642
   77    HE1  PHE  10           HE1      PHE  10  -2.187   2.263   8.216
   78    HE2  PHE  10           HE2      PHE  10  -2.450   3.144   4.071
   79    HZ   PHE  10           HZ       PHE  10  -1.877   3.826   6.333
   80    H    ARG  11           H        ARG  11  -6.714   0.981   6.007
   81    HA   ARG  11           HA       ARG  11  -6.777   1.883   3.150
   82   1HB   ARG  11          1HB       ARG  11  -9.097   2.655   3.434
   83   2HB   ARG  11          2HB       ARG  11  -9.018   0.940   3.690
   84   1HG   ARG  11          2HG       ARG  11  -9.134   2.957   5.985
   85   2HG   ARG  11          1HG       ARG  11 -10.531   2.198   5.276
   86   1HD   ARG  11          2HD       ARG  11  -8.334   0.818   6.851
   87   2HD   ARG  11          1HD       ARG  11 -10.057   0.880   7.190
   88    HE   ARG  11           HE       ARG  11  -8.772  -0.762   5.078
   89   1HH1  ARG  11          2HH2      ARG  11 -10.692  -1.457   7.459
   90   2HH1  ARG  11          1HH2      ARG  11 -12.094  -1.931   6.554
   91   1HH2  ARG  11          2HH1      ARG  11 -10.855  -0.554   3.574
   92   2HH2  ARG  11          1HH1      ARG  11 -12.200  -1.391   4.283
   93    H    SER  12           H        SER  12  -6.282   4.028   2.960
   94    HA   SER  12           HA       SER  12  -6.363   5.762   5.346
   95   1HB   SER  12          2HB       SER  12  -3.864   4.731   4.002
   96   2HB   SER  12          1HB       SER  12  -3.746   6.262   4.804
   97    HG   SER  12           HG       SER  12  -5.169   4.614   6.371
   98    H    ALA  13           H        ALA  13  -5.557   7.977   4.822
   99    HA   ALA  13           HA       ALA  13  -6.470   8.729   2.058
  100   1HB   ALA  13          1HB       ALA  13  -6.665  10.302   4.656
  101   2HB   ALA  13          2HB       ALA  13  -7.998   9.480   3.854
  102   3HB   ALA  13          3HB       ALA  13  -7.224  10.854   3.082
  103    H    ASP  14           H        ASP  14  -3.807   7.978   2.990
  104    HA   ASP  14           HA       ASP  14  -2.337  10.467   2.221
  105   1HB   ASP  14          1HB       ASP  14  -2.099   9.713   4.771
  106   2HB   ASP  14          2HB       ASP  14  -1.218   8.371   4.108
  107    H    SER  15           H        SER  15  -0.376   9.999   1.119
  108    HA   SER  15           HA       SER  15  -0.505   7.443  -0.426
  109   1HB   SER  15          2HB       SER  15  -0.657   9.535  -1.763
  110   2HB   SER  15          1HB       SER  15   0.836  10.148  -1.055
  111    HG   SER  15           HG       SER  15   0.546   8.456  -3.090
  112    H    SER  16           H        SER  16   1.896   9.691   0.962
  113    HA   SER  16           HA       SER  16   4.162   8.109   0.900
  114   1HB   SER  16          2HB       SER  16   4.194  10.413   1.813
  115   2HB   SER  16          1HB       SER  16   3.249   9.899   3.214
  116    HG   SER  16           HG       SER  16   5.351   8.254   2.838
  117    H    ASN  17           H        ASN  17   1.787   8.134   3.493
  118    HA   ASN  17           HA       ASN  17   2.882   6.039   5.060
  119   1HB   ASN  17          1HB       ASN  17   0.002   6.981   4.948
  120   2HB   ASN  17          2HB       ASN  17   0.781   6.182   6.296
  121   1HD2  ASN  17          1HD2      ASN  17   3.146   8.317   5.099
  122   2HD2  ASN  17          2HD2      ASN  17   2.778   9.632   6.098
  123    H    LEU  18           H        LEU  18   0.966   5.800   2.190
  124    HA   LEU  18           HA       LEU  18   0.129   3.027   2.834
  125   1HB   LEU  18          1HB       LEU  18  -1.522   4.492   1.707
  126   2HB   LEU  18          2HB       LEU  18  -0.412   4.756   0.370
  127    HG   LEU  18           HG       LEU  18  -0.503   2.320  -0.210
  128   1HD1  LEU  18          1HD1      LEU  18  -2.565   2.121   2.031
  129   2HD1  LEU  18          2HD1      LEU  18  -0.971   1.388   2.088
  130   3HD1  LEU  18          3HD1      LEU  18  -2.146   0.840   0.911
  131   1HD2  LEU  18          1HD2      LEU  18  -3.239   3.565   0.141
  132   2HD2  LEU  18          2HD2      LEU  18  -2.843   2.290  -1.001
  133   3HD2  LEU  18          3HD2      LEU  18  -2.138   3.885  -1.198
  134    H    LYS  19           H        LYS  19   2.233   4.841   0.641
  135    HA   LYS  19           HA       LYS  19   3.143   2.541  -0.822
  136   1HB   LYS  19          1HB       LYS  19   4.721   5.108  -0.136
  137   2HB   LYS  19          2HB       LYS  19   5.110   4.026  -1.460
  138   1HG   LYS  19          2HG       LYS  19   2.484   5.545  -1.247
  139   2HG   LYS  19          1HG       LYS  19   3.871   6.151  -2.107
  140   1HD   LYS  19          2HD       LYS  19   3.778   4.272  -3.673
  141   2HD   LYS  19          1HD       LYS  19   2.534   3.469  -2.724
  142   1HE   LYS  19          2HE       LYS  19   1.545   4.692  -4.656
  143   2HE   LYS  19          1HE       LYS  19   0.975   5.366  -3.144
  144   1HZ   LYS  19          1HZ       LYS  19   2.244   6.697  -5.194
  145   2HZ   LYS  19          2HZ       LYS  19   3.381   6.620  -3.932
  146   3HZ   LYS  19          3HZ       LYS  19   1.854   7.280  -3.635
  147    H    THR  20           H        THR  20   4.481   4.245   2.010
  148    HA   THR  20           HA       THR  20   6.599   2.428   2.474
  149    HB   THR  20           HB       THR  20   4.910   3.921   4.612
  150    HG1  THR  20           HG1      THR  20   6.316   4.802   2.533
  151   1HG2  THR  20          1HG2      THR  20   6.744   2.318   5.465
  152   2HG2  THR  20          2HG2      THR  20   7.077   4.001   5.838
  153   3HG2  THR  20          3HG2      THR  20   7.906   3.219   4.503
  154    H    HIS  21           H        HIS  21   3.236   2.426   3.565
  155    HA   HIS  21           HA       HIS  21   3.203   0.149   5.172
  156   1HB   HIS  21          1HB       HIS  21   1.174   1.520   4.845
  157   2HB   HIS  21          2HB       HIS  21   1.073   1.092   3.161
  158    HD1  HIS  21           HD1      HIS  21   0.562  -0.457   6.496
  159    HD2  HIS  21           HD2      HIS  21  -0.012  -1.353   2.556
  160    HE1  HIS  21           HE1      HIS  21  -0.795  -2.524   6.447
  161    H    ILE  22           H        ILE  22   2.510   0.129   1.617
  162    HA   ILE  22           HA       ILE  22   2.539  -2.621   1.231
  163    HB   ILE  22           HB       ILE  22   3.565  -0.447  -0.660
  164   1HG1  ILE  22          2HG1      ILE  22   0.861  -1.871  -0.484
  165   2HG1  ILE  22          1HG1      ILE  22   1.153  -0.255   0.111
  166   1HG2  ILE  22          1HG2      ILE  22   2.814  -3.351  -1.246
  167   2HG2  ILE  22          2HG2      ILE  22   4.428  -2.683  -1.357
  168   3HG2  ILE  22          3HG2      ILE  22   3.195  -2.155  -2.473
  169   1HD1  ILE  22          1HD       ILE  22   1.396  -1.110  -2.809
  170   2HD1  ILE  22          2HD       ILE  22   1.740   0.500  -2.200
  171   3HD1  ILE  22          3HD       ILE  22   0.113  -0.149  -2.113
  172    H    LYS  23           H        LYS  23   5.432  -0.526   1.091
  173    HA   LYS  23           HA       LYS  23   7.254  -2.577   0.440
  174   1HB   LYS  23          1HB       LYS  23   7.503   0.174   1.591
  175   2HB   LYS  23          2HB       LYS  23   8.904  -0.867   1.701
  176   1HG   LYS  23          2HG       LYS  23   8.949   0.456  -0.397
  177   2HG   LYS  23          1HG       LYS  23   8.879  -1.263  -0.724
  178   1HD   LYS  23          2HD       LYS  23   6.379  -1.059  -1.075
  179   2HD   LYS  23          1HD       LYS  23   6.524   0.672  -0.834
  180   1HE   LYS  23          2HE       LYS  23   7.945   0.859  -2.818
  181   2HE   LYS  23          1HE       LYS  23   7.975  -0.893  -3.002
  182   1HZ   LYS  23          1HZ       LYS  23   6.077   0.909  -3.954
  183   2HZ   LYS  23          2HZ       LYS  23   5.315  -0.082  -2.806
  184   3HZ   LYS  23          3HZ       LYS  23   6.116  -0.780  -4.128
  185    H    THR  24           H        THR  24   6.658  -1.251   3.638
  186    HA   THR  24           HA       THR  24   8.374  -3.102   5.012
  187    HB   THR  24           HB       THR  24   6.274  -1.144   6.063
  188    HG1  THR  24           HG1      THR  24   8.595  -0.851   4.826
  189   1HG2  THR  24          1HG2      THR  24   7.044  -2.850   7.801
  190   2HG2  THR  24          2HG2      THR  24   7.611  -1.227   8.150
  191   3HG2  THR  24          3HG2      THR  24   8.712  -2.410   7.453
  192    H    LYS  25           H        LYS  25   4.910  -3.066   4.471
  193    HA   LYS  25           HA       LYS  25   4.468  -5.349   6.254
  194   1HB   LYS  25          1HB       LYS  25   2.524  -3.676   4.622
  195   2HB   LYS  25          2HB       LYS  25   2.036  -4.871   5.800
  196   1HG   LYS  25          2HG       LYS  25   3.634  -2.332   6.364
  197   2HG   LYS  25          1HG       LYS  25   1.944  -2.563   6.712
  198   1HD   LYS  25          2HD       LYS  25   4.183  -4.177   8.011
  199   2HD   LYS  25          1HD       LYS  25   3.414  -2.776   8.710
  200   1HE   LYS  25          2HE       LYS  25   2.340  -4.709   9.681
  201   2HE   LYS  25          1HE       LYS  25   1.182  -3.992   8.576
  202   1HZ   LYS  25          1HZ       LYS  25   2.142  -6.590   8.598
  203   2HZ   LYS  25          2HZ       LYS  25   2.739  -5.873   7.182
  204   3HZ   LYS  25          3HZ       LYS  25   1.068  -5.871   7.497
  205    H    HIS  26           H        HIS  26   4.496  -4.773   2.764
  206    HA   HIS  26           HA       HIS  26   3.757  -7.653   2.425
  207   1HB   HIS  26          1HB       HIS  26   3.099  -5.339   0.579
  208   2HB   HIS  26          2HB       HIS  26   2.635  -7.011   0.342
  209    HD1  HIS  26           HD1      HIS  26   1.417  -7.870   2.813
  210    HD2  HIS  26           HD2      HIS  26   1.025  -3.950   1.711
  211    HE1  HIS  26           HE1      HIS  26  -0.543  -6.997   4.036
  212    H    SER  27           H        SER  27   4.982  -5.330   0.211
  213    HA   SER  27           HA       SER  27   6.342  -6.727  -1.621
  214   1HB   SER  27          2HB       SER  27   6.185  -4.186  -1.445
  215   2HB   SER  27          1HB       SER  27   7.620  -4.283  -0.400
  216    HG   SER  27           HG       SER  27   8.724  -4.501  -2.132
  217    H    LYS  28           H        LYS  28   8.022  -5.657   1.227
  218    HA   LYS  28           HA       LYS  28  10.044  -6.271   2.203
  219   1HB   LYS  28          1HB       LYS  28   8.887  -8.992   1.421
  220   2HB   LYS  28          2HB       LYS  28  10.229  -8.784   2.530
  221   1HG   LYS  28          2HG       LYS  28   8.835  -7.501   4.089
  222   2HG   LYS  28          1HG       LYS  28   7.509  -7.456   2.950
  223   1HD   LYS  28          2HD       LYS  28   7.058  -9.159   4.639
  224   2HD   LYS  28          1HD       LYS  28   7.305  -9.940   3.091
  225   1HE   LYS  28          2HE       LYS  28   9.680 -10.452   3.761
  226   2HE   LYS  28          1HE       LYS  28   9.376  -9.694   5.317
  227   1HZ   LYS  28          1HZ       LYS  28   7.342 -11.544   4.831
  228   2HZ   LYS  28          2HZ       LYS  28   8.544 -11.580   6.029
  229   3HZ   LYS  28          3HZ       LYS  28   8.828 -12.306   4.522
  230    H    GLU  29           H        GLU  29  10.777  -5.220   0.105
  231    HA   GLU  29           HA       GLU  29  12.677  -7.027  -1.349
  232   1HB   GLU  29          1HB       GLU  29  12.522  -5.444  -3.254
  233   2HB   GLU  29          2HB       GLU  29  10.947  -6.107  -2.863
  234   1HG   GLU  29          2HG       GLU  29  10.358  -4.006  -1.636
  235   2HG   GLU  29          1HG       GLU  29  11.947  -3.363  -1.999
  236    H    LYS  30           H        LYS  30  12.104  -3.875  -0.032
  237    HA   LYS  30           HA       LYS  30  13.606  -2.777   1.539
  238   1HB   LYS  30          1HB       LYS  30  15.545  -4.360   1.064
  239   2HB   LYS  30          2HB       LYS  30  15.849  -3.486  -0.434
  240   1HG   LYS  30          2HG       LYS  30  16.231  -1.398   0.857
  241   2HG   LYS  30          1HG       LYS  30  15.881  -2.228   2.356
  242   1HD   LYS  30          2HD       LYS  30  18.235  -2.733   0.478
  243   2HD   LYS  30          1HD       LYS  30  18.298  -2.036   2.085
  244   1HE   LYS  30          2HE       LYS  30  17.571  -4.935   1.426
  245   2HE   LYS  30          1HE       LYS  30  19.007  -4.359   2.250
  246   1HZ   LYS  30          1HZ       LYS  30  16.515  -4.979   3.345
  247   2HZ   LYS  30          2HZ       LYS  30  16.826  -3.335   3.623
  248   3HZ   LYS  30          3HZ       LYS  30  17.945  -4.502   4.136
  Start of MODEL    7
    1   1H    LYS   1          1H        LYS   1 -10.733   9.396  -2.396
    2   2H    LYS   1          2H        LYS   1 -11.418  10.845  -2.951
    3   3H    LYS   1          3H        LYS   1 -12.418   9.597  -2.381
    4    HA   LYS   1           HA       LYS   1 -11.271  11.712  -0.989
    5   1HB   LYS   1          2HB       LYS   1 -13.564  10.780  -0.682
    6   2HB   LYS   1          1HB       LYS   1 -12.896   9.276  -0.106
    7   1HG   LYS   1          2HG       LYS   1 -13.694  10.477   1.814
    8   2HG   LYS   1          1HG       LYS   1 -11.954  10.497   1.897
    9   1HD   LYS   1          2HD       LYS   1 -13.443  12.808   0.616
   10   2HD   LYS   1          1HD       LYS   1 -13.368  12.709   2.357
   11   1HE   LYS   1          2HE       LYS   1 -10.962  12.946   0.465
   12   2HE   LYS   1          1HE       LYS   1 -11.576  14.149   1.562
   13   1HZ   LYS   1          1HZ       LYS   1  -9.778  12.072   2.065
   14   2HZ   LYS   1          2HZ       LYS   1 -11.128  11.872   3.072
   15   3HZ   LYS   1          3HZ       LYS   1 -10.263  13.335   3.092
   16    H    THR   2           H        THR   2 -10.981   8.240  -0.552
   17    HA   THR   2           HA       THR   2  -8.366   8.566   0.863
   18    HB   THR   2           HB       THR   2 -10.595   6.530   1.448
   19    HG1  THR   2           HG1      THR   2  -9.980   9.092   2.234
   20   1HG2  THR   2          1HG2      THR   2  -8.126   7.192   3.118
   21   2HG2  THR   2          2HG2      THR   2  -8.301   5.699   2.206
   22   3HG2  THR   2          3HG2      THR   2  -9.385   6.055   3.532
   23    H    TYR   3           H        TYR   3  -7.197   6.459   0.833
   24    HA   TYR   3           HA       TYR   3  -7.381   5.060  -1.808
   25   1HB   TYR   3          1HB       TYR   3  -4.824   5.680  -0.246
   26   2HB   TYR   3          2HB       TYR   3  -4.911   4.950  -1.842
   27    HD1  TYR   3           HD1      TYR   3  -6.647   6.626  -3.410
   28    HD2  TYR   3           HD2      TYR   3  -3.907   7.791  -0.362
   29    HE1  TYR   3           HE1      TYR   3  -6.477   8.856  -4.407
   30    HE2  TYR   3           HE2      TYR   3  -3.731  10.014  -1.361
   31    HH   TYR   3           HH       TYR   3  -4.584  11.429  -2.889
   32    H    GLN   4           H        GLN   4  -6.790   2.798  -1.702
   33    HA   GLN   4           HA       GLN   4  -6.703   1.716   1.099
   34   1HB   GLN   4          1HB       GLN   4  -8.879   1.461  -0.449
   35   2HB   GLN   4          2HB       GLN   4  -7.958   0.151  -1.152
   36   1HG   GLN   4          2HG       GLN   4  -7.660  -0.628   1.429
   37   2HG   GLN   4          1HG       GLN   4  -9.002   0.461   1.656
   38   1HE2  GLN   4          2HE2      GLN   4  -7.992  -2.502  -0.013
   39   2HE2  GLN   4          1HE2      GLN   4  -9.557  -3.057  -0.268
   40    H    CYS   5           H        CYS   5  -6.098  -0.687   0.972
   41    HA   CYS   5           HA       CYS   5  -3.546  -0.921  -0.582
   42   1HB   CYS   5          1HB       CYS   5  -3.257  -1.099   1.859
   43   2HB   CYS   5          2HB       CYS   5  -4.534  -2.316   1.939
   44    H    GLN   6           H        GLN   6  -3.171  -2.965  -1.645
   45    HA   GLN   6           HA       GLN   6  -5.694  -4.502  -2.194
   46   1HB   GLN   6          1HB       GLN   6  -3.366  -4.036  -4.083
   47   2HB   GLN   6          2HB       GLN   6  -4.900  -4.783  -4.487
   48   1HG   GLN   6          2HG       GLN   6  -4.403  -1.856  -3.754
   49   2HG   GLN   6          1HG       GLN   6  -4.943  -2.484  -5.297
   50   1HE2  GLN   6          1HE2      GLN   6  -6.071  -0.887  -2.653
   51   2HE2  GLN   6          2HE2      GLN   6  -7.699  -1.359  -2.703
   52    H    TYR   7           H        TYR   7  -3.886  -5.035  -0.140
   53    HA   TYR   7           HA       TYR   7  -2.948  -7.780  -0.870
   54   1HB   TYR   7          1HB       TYR   7  -1.585  -5.771   0.968
   55   2HB   TYR   7          2HB       TYR   7  -1.072  -7.445   0.774
   56    HD1  TYR   7           HD1      TYR   7  -0.452  -8.166  -1.682
   57    HD2  TYR   7           HD2      TYR   7  -0.616  -4.111  -0.380
   58    HE1  TYR   7           HE1      TYR   7   1.002  -7.504  -3.538
   59    HE2  TYR   7           HE2      TYR   7   0.833  -3.458  -2.236
   60    HH   TYR   7           HH       TYR   7   2.136  -4.164  -3.900
   61    H    CYS   8           H        CYS   8  -3.447  -5.589   1.813
   62    HA   CYS   8           HA       CYS   8  -5.001  -7.654   3.313
   63   1HB   CYS   8          1HB       CYS   8  -4.110  -6.700   5.348
   64   2HB   CYS   8          2HB       CYS   8  -2.754  -7.030   4.273
   65    H    GLU   9           H        GLU   9  -5.719  -5.764   5.322
   66    HA   GLU   9           HA       GLU   9  -7.809  -4.183   3.892
   67   1HB   GLU   9          1HB       GLU   9  -8.989  -4.430   6.228
   68   2HB   GLU   9          2HB       GLU   9  -8.915  -5.824   5.189
   69   1HG   GLU   9          2HG       GLU   9  -8.358  -6.388   7.555
   70   2HG   GLU   9          1HG       GLU   9  -7.063  -6.798   6.458
   71    H    PHE  10           H        PHE  10  -5.548  -2.895   3.895
   72    HA   PHE  10           HA       PHE  10  -5.582  -0.964   6.194
   73   1HB   PHE  10          1HB       PHE  10  -3.357  -1.983   5.790
   74   2HB   PHE  10          2HB       PHE  10  -3.398  -1.482   4.108
   75    HD1  PHE  10           HD1      PHE  10  -3.205  -0.225   7.609
   76    HD2  PHE  10           HD2      PHE  10  -2.937   0.803   3.489
   77    HE1  PHE  10           HE1      PHE  10  -2.284   1.969   8.215
   78    HE2  PHE  10           HE2      PHE  10  -2.016   3.024   4.114
   79    HZ   PHE  10           HZ       PHE  10  -1.696   3.596   6.445
   80    H    ARG  11           H        ARG  11  -6.588   0.853   5.835
   81    HA   ARG  11           HA       ARG  11  -6.659   1.998   3.075
   82   1HB   ARG  11          1HB       ARG  11  -8.975   2.730   3.500
   83   2HB   ARG  11          2HB       ARG  11  -8.863   1.017   3.810
   84   1HG   ARG  11          2HG       ARG  11 -10.014   1.575   5.708
   85   2HG   ARG  11          1HG       ARG  11  -8.403   1.841   6.331
   86   1HD   ARG  11          2HD       ARG  11  -8.621   4.315   5.763
   87   2HD   ARG  11          1HD       ARG  11 -10.248   3.982   5.200
   88    HE   ARG  11           HE       ARG  11 -10.775   3.203   7.521
   89   1HH1  ARG  11          2HH1      ARG  11  -7.554   4.103   7.609
   90   2HH1  ARG  11          1HH1      ARG  11  -7.724   5.196   8.941
   91   1HH2  ARG  11          2HH2      ARG  11 -11.213   5.081   8.885
   92   2HH2  ARG  11          1HH2      ARG  11  -9.831   5.775   9.670
   93    H    SER  12           H        SER  12  -6.042   4.054   2.965
   94    HA   SER  12           HA       SER  12  -5.907   5.870   5.276
   95   1HB   SER  12          2HB       SER  12  -3.481   4.727   3.835
   96   2HB   SER  12          1HB       SER  12  -3.292   6.161   4.776
   97    HG   SER  12           HG       SER  12  -3.506   5.039   6.534
   98    H    ALA  13           H        ALA  13  -5.535   8.108   4.547
   99    HA   ALA  13           HA       ALA  13  -6.281   8.416   1.655
  100   1HB   ALA  13          1HB       ALA  13  -7.147  10.643   2.344
  101   2HB   ALA  13          2HB       ALA  13  -6.581  10.355   3.984
  102   3HB   ALA  13          3HB       ALA  13  -7.867   9.371   3.313
  103    H    ASP  14           H        ASP  14  -3.616   7.893   2.546
  104    HA   ASP  14           HA       ASP  14  -2.308  10.310   1.401
  105   1HB   ASP  14          1HB       ASP  14  -2.093   9.828   4.104
  106   2HB   ASP  14          2HB       ASP  14  -0.857   8.733   3.529
  107    H    SER  15           H        SER  15  -0.195   9.802   0.500
  108    HA   SER  15           HA       SER  15   0.096   6.974  -0.453
  109   1HB   SER  15          2HB       SER  15  -0.770   8.466  -2.280
  110   2HB   SER  15          1HB       SER  15   0.532   9.625  -1.995
  111    HG   SER  15           HG       SER  15   1.764   8.372  -3.139
  112    H    SER  16           H        SER  16   1.000   7.203   1.557
  113    HA   SER  16           HA       SER  16   3.321   6.508   2.292
  114   1HB   SER  16          2HB       SER  16   4.564   8.247   0.974
  115   2HB   SER  16          1HB       SER  16   3.771   9.555   1.858
  116    HG   SER  16           HG       SER  16   5.877   8.082   2.555
  117    H    ASN  17           H        ASN  17   1.523   7.667   5.173
  118    HA   ASN  17           HA       ASN  17   3.529   5.807   4.130
  119   1HB   ASN  17          1HB       ASN  17   3.251   4.701   6.338
  120   2HB   ASN  17          2HB       ASN  17   3.656   6.404   6.429
  121   1HD2  ASN  17          1HD2      ASN  17   2.384   7.584   7.834
  122   2HD2  ASN  17          2HD2      ASN  17   0.814   7.163   8.325
  123    H    LEU  18           H        LEU  18   1.419   5.628   2.404
  124    HA   LEU  18           HA       LEU  18   0.012   3.052   3.045
  125   1HB   LEU  18          1HB       LEU  18  -1.472   4.783   2.076
  126   2HB   LEU  18          2HB       LEU  18  -0.321   5.090   0.779
  127    HG   LEU  18           HG       LEU  18  -0.719   2.852  -0.179
  128   1HD1  LEU  18          1HD1      LEU  18  -1.182   1.578   1.956
  129   2HD1  LEU  18          2HD1      LEU  18  -2.442   1.324   0.764
  130   3HD1  LEU  18          3HD1      LEU  18  -2.714   2.432   2.094
  131   1HD2  LEU  18          1HD2      LEU  18  -2.242   4.687  -0.833
  132   2HD2  LEU  18          2HD2      LEU  18  -3.317   4.286   0.492
  133   3HD2  LEU  18          3HD2      LEU  18  -3.095   3.152  -0.832
  134    H    LYS  19           H        LYS  19   2.298   4.749   1.042
  135    HA   LYS  19           HA       LYS  19   3.007   2.455  -0.639
  136   1HB   LYS  19          1HB       LYS  19   4.545   5.069  -0.044
  137   2HB   LYS  19          2HB       LYS  19   4.895   4.004  -1.380
  138   1HG   LYS  19          2HG       LYS  19   2.303   5.592  -0.992
  139   2HG   LYS  19          1HG       LYS  19   3.610   6.068  -2.048
  140   1HD   LYS  19          2HD       LYS  19   1.932   3.533  -2.346
  141   2HD   LYS  19          1HD       LYS  19   1.774   4.992  -3.300
  142   1HE   LYS  19          2HE       LYS  19   4.075   4.728  -4.173
  143   2HE   LYS  19          1HE       LYS  19   4.294   3.265  -3.221
  144   1HZ   LYS  19          1HZ       LYS  19   3.360   2.115  -4.799
  145   2HZ   LYS  19          2HZ       LYS  19   3.175   3.518  -5.737
  146   3HZ   LYS  19          3HZ       LYS  19   1.931   3.028  -4.689
  147    H    THR  20           H        THR  20   4.367   4.248   2.089
  148    HA   THR  20           HA       THR  20   6.590   2.560   2.581
  149    HB   THR  20           HB       THR  20   4.828   4.025   4.677
  150    HG1  THR  20           HG1      THR  20   6.516   4.802   2.685
  151   1HG2  THR  20          1HG2      THR  20   6.936   4.110   5.993
  152   2HG2  THR  20          2HG2      THR  20   7.819   3.315   4.695
  153   3HG2  THR  20          3HG2      THR  20   6.620   2.421   5.619
  154    H    HIS  21           H        HIS  21   3.277   2.408   3.715
  155    HA   HIS  21           HA       HIS  21   3.302   0.131   5.314
  156   1HB   HIS  21          1HB       HIS  21   1.231   1.358   5.080
  157   2HB   HIS  21          2HB       HIS  21   1.198   1.198   3.342
  158    HD1  HIS  21           HD1      HIS  21   0.657  -0.857   6.398
  159    HD2  HIS  21           HD2      HIS  21   0.018  -1.081   2.373
  160    HE1  HIS  21           HE1      HIS  21  -0.721  -2.874   6.038
  161    H    ILE  22           H        ILE  22   2.515   0.004   1.765
  162    HA   ILE  22           HA       ILE  22   2.756  -2.743   1.439
  163    HB   ILE  22           HB       ILE  22   3.555  -0.555  -0.550
  164   1HG1  ILE  22          2HG1      ILE  22   0.987  -2.186  -0.289
  165   2HG1  ILE  22          1HG1      ILE  22   1.159  -0.576   0.369
  166   1HG2  ILE  22          1HG2      ILE  22   3.262  -2.341  -2.291
  167   2HG2  ILE  22          2HG2      ILE  22   2.958  -3.523  -1.030
  168   3HG2  ILE  22          3HG2      ILE  22   4.540  -2.782  -1.193
  169   1HD1  ILE  22          1HD       ILE  22   0.074  -0.484  -1.839
  170   2HD1  ILE  22          2HD       ILE  22   1.451  -1.269  -2.586
  171   3HD1  ILE  22          3HD       ILE  22   1.626   0.331  -1.883
  172    H    LYS  23           H        LYS  23   5.525  -0.468   1.301
  173    HA   LYS  23           HA       LYS  23   7.436  -2.405   0.545
  174   1HB   LYS  23          1HB       LYS  23   7.827   0.129   2.197
  175   2HB   LYS  23          2HB       LYS  23   9.152  -0.806   1.527
  176   1HG   LYS  23          2HG       LYS  23   8.081  -0.482  -0.778
  177   2HG   LYS  23          1HG       LYS  23   6.968   0.634  -0.015
  178   1HD   LYS  23          2HD       LYS  23  10.000   0.955  -0.024
  179   2HD   LYS  23          1HD       LYS  23   8.896   1.812  -1.074
  180   1HE   LYS  23          2HE       LYS  23   7.798   2.837   0.916
  181   2HE   LYS  23          1HE       LYS  23   8.972   2.038   1.964
  182   1HZ   LYS  23          1HZ       LYS  23  10.366   3.664   1.590
  183   2HZ   LYS  23          2HZ       LYS  23   9.236   4.435   0.587
  184   3HZ   LYS  23          3HZ       LYS  23  10.350   3.341  -0.079
  185    H    THR  24           H        THR  24   6.590  -1.447   3.863
  186    HA   THR  24           HA       THR  24   8.434  -3.596   4.828
  187    HB   THR  24           HB       THR  24   8.707  -1.323   5.690
  188    HG1  THR  24           HG1      THR  24   8.388  -3.595   7.062
  189   1HG2  THR  24          1HG2      THR  24   6.262  -0.606   5.826
  190   2HG2  THR  24          2HG2      THR  24   7.150  -0.372   7.319
  191   3HG2  THR  24          3HG2      THR  24   6.077  -1.738   7.155
  192    H    LYS  25           H        LYS  25   5.298  -3.471   4.027
  193    HA   LYS  25           HA       LYS  25   4.441  -5.452   6.110
  194   1HB   LYS  25          1HB       LYS  25   2.765  -3.494   4.486
  195   2HB   LYS  25          2HB       LYS  25   2.060  -4.942   5.167
  196   1HG   LYS  25          2HG       LYS  25   1.710  -3.034   6.648
  197   2HG   LYS  25          1HG       LYS  25   2.608  -4.326   7.400
  198   1HD   LYS  25          2HD       LYS  25   4.651  -3.172   7.275
  199   2HD   LYS  25          1HD       LYS  25   4.038  -1.952   6.172
  200   1HE   LYS  25          2HE       LYS  25   3.071  -2.363   9.045
  201   2HE   LYS  25          1HE       LYS  25   4.213  -1.125   8.535
  202   1HZ   LYS  25          1HZ       LYS  25   2.521   0.155   8.025
  203   2HZ   LYS  25          2HZ       LYS  25   1.415  -1.069   8.434
  204   3HZ   LYS  25          3HZ       LYS  25   2.020  -0.961   6.852
  205    H    HIS  26           H        HIS  26   4.587  -4.948   2.584
  206    HA   HIS  26           HA       HIS  26   3.766  -7.800   2.294
  207   1HB   HIS  26          1HB       HIS  26   3.161  -5.534   0.384
  208   2HB   HIS  26          2HB       HIS  26   2.652  -7.204   0.205
  209    HD1  HIS  26           HD1      HIS  26   1.390  -7.930   2.698
  210    HD2  HIS  26           HD2      HIS  26   1.067  -4.064   1.409
  211    HE1  HIS  26           HE1      HIS  26  -0.583  -6.978   3.836
  212    H    SER  27           H        SER  27   5.505  -5.360   0.544
  213    HA   SER  27           HA       SER  27   7.237  -7.499  -0.668
  214   1HB   SER  27          2HB       SER  27   5.655  -6.199  -2.236
  215   2HB   SER  27          1HB       SER  27   6.609  -4.755  -1.898
  216    HG   SER  27           HG       SER  27   8.004  -5.486  -3.262
  217    H    LYS  28           H        LYS  28   8.909  -5.360  -1.735
  218    HA   LYS  28           HA       LYS  28  11.209  -5.065  -1.021
  219   1HB   LYS  28          1HB       LYS  28   9.956  -3.131  -1.997
  220   2HB   LYS  28          2HB       LYS  28   9.536  -2.606  -0.389
  221   1HG   LYS  28          2HG       LYS  28  11.324  -1.214  -1.071
  222   2HG   LYS  28          1HG       LYS  28  12.056  -2.305   0.072
  223   1HD   LYS  28          2HD       LYS  28  12.138  -2.956  -2.894
  224   2HD   LYS  28          1HD       LYS  28  13.240  -1.771  -2.239
  225   1HE   LYS  28          2HE       LYS  28  13.091  -4.678  -1.279
  226   2HE   LYS  28          1HE       LYS  28  14.268  -4.018  -2.381
  227   1HZ   LYS  28          1HZ       LYS  28  15.458  -3.401  -0.682
  228   2HZ   LYS  28          2HZ       LYS  28  14.281  -3.961   0.402
  229   3HZ   LYS  28          3HZ       LYS  28  14.227  -2.358  -0.158
  230    H    GLU  29           H        GLU  29  11.019  -6.540   0.861
  231    HA   GLU  29           HA       GLU  29  12.317  -6.898   2.848
  232   1HB   GLU  29          1HB       GLU  29  12.665  -4.297   3.128
  233   2HB   GLU  29          2HB       GLU  29  11.153  -4.289   4.015
  234   1HG   GLU  29          2HG       GLU  29  13.649  -5.892   4.728
  235   2HG   GLU  29          1HG       GLU  29  13.099  -4.447   5.551
  236    H    LYS  30           H        LYS  30  11.242  -8.506   3.751
  237    HA   LYS  30           HA       LYS  30   8.409  -8.105   4.651
  238   1HB   LYS  30          1HB       LYS  30   8.734  -9.693   2.747
  239   2HB   LYS  30          2HB       LYS  30   9.794 -10.670   3.743
  240   1HG   LYS  30          2HG       LYS  30   7.889 -10.978   5.387
  241   2HG   LYS  30          1HG       LYS  30   6.847 -10.079   4.306
  242   1HD   LYS  30          2HD       LYS  30   8.283 -12.687   3.601
  243   2HD   LYS  30          1HD       LYS  30   6.606 -12.565   4.089
  244   1HE   LYS  30          2HE       LYS  30   7.722 -11.219   1.593
  245   2HE   LYS  30          1HE       LYS  30   6.838 -12.732   1.607
  246   1HZ   LYS  30          1HZ       LYS  30   5.805 -10.155   1.589
  247   2HZ   LYS  30          2HZ       LYS  30   5.368 -10.861   3.062
  248   3HZ   LYS  30          3HZ       LYS  30   4.970 -11.622   1.600
  Start of MODEL    8
    1   1H    LYS   1          1H        LYS   1 -10.968  12.153  -0.585
    2   2H    LYS   1          2H        LYS   1 -10.580  11.451   0.906
    3   3H    LYS   1          3H        LYS   1 -12.200  11.547   0.415
    4    HA   LYS   1           HA       LYS   1 -12.070   9.583  -0.527
    5   1HB   LYS   1          2HB       LYS   1 -10.985   9.394  -2.633
    6   2HB   LYS   1          1HB       LYS   1 -11.127  11.128  -2.475
    7   1HG   LYS   1          2HG       LYS   1  -8.625   9.453  -1.965
    8   2HG   LYS   1          1HG       LYS   1  -8.891  10.584  -3.266
    9   1HD   LYS   1          2HD       LYS   1  -8.755  12.491  -1.852
   10   2HD   LYS   1          1HD       LYS   1  -8.916  11.564  -0.377
   11   1HE   LYS   1          2HE       LYS   1  -6.740  10.412  -0.924
   12   2HE   LYS   1          1HE       LYS   1  -6.568  11.535  -2.273
   13   1HZ   LYS   1          1HZ       LYS   1  -5.746  13.005  -0.888
   14   2HZ   LYS   1          2HZ       LYS   1  -5.949  11.950   0.428
   15   3HZ   LYS   1          3HZ       LYS   1  -7.197  13.012  -0.006
   16    H    THR   2           H        THR   2 -10.604   7.630  -0.877
   17    HA   THR   2           HA       THR   2  -8.357   7.584   1.090
   18    HB   THR   2           HB       THR   2 -10.240   6.590   2.249
   19    HG1  THR   2           HG1      THR   2  -8.113   5.465   2.065
   20   1HG2  THR   2          1HG2      THR   2 -11.630   5.929   0.172
   21   2HG2  THR   2          2HG2      THR   2 -11.468   4.615   1.318
   22   3HG2  THR   2          3HG2      THR   2 -10.468   4.643  -0.127
   23    H    TYR   3           H        TYR   3  -7.114   5.769   0.961
   24    HA   TYR   3           HA       TYR   3  -6.602   4.636  -1.756
   25   1HB   TYR   3          1HB       TYR   3  -4.545   5.439   0.393
   26   2HB   TYR   3          2HB       TYR   3  -4.181   4.761  -1.188
   27    HD1  TYR   3           HD1      TYR   3  -5.439   6.159  -3.187
   28    HD2  TYR   3           HD2      TYR   3  -4.135   7.738   0.544
   29    HE1  TYR   3           HE1      TYR   3  -5.299   8.387  -4.178
   30    HE2  TYR   3           HE2      TYR   3  -4.004   9.970  -0.456
   31    HH   TYR   3           HH       TYR   3  -4.178  11.179  -2.303
   32    H    GLN   4           H        GLN   4  -6.862   2.471  -1.581
   33    HA   GLN   4           HA       GLN   4  -6.759   1.248   1.156
   34   1HB   GLN   4          1HB       GLN   4  -8.802   1.178  -0.744
   35   2HB   GLN   4          2HB       GLN   4  -7.963  -0.316  -1.079
   36   1HG   GLN   4          2HG       GLN   4  -9.108   0.527   1.610
   37   2HG   GLN   4          1HG       GLN   4  -9.762  -0.698   0.548
   38   1HE2  GLN   4          1HE2      GLN   4  -8.126  -0.451   3.350
   39   2HE2  GLN   4          2HE2      GLN   4  -7.192  -1.863   3.279
   40    H    CYS   5           H        CYS   5  -5.610  -0.644   1.415
   41    HA   CYS   5           HA       CYS   5  -3.215  -0.905  -0.150
   42   1HB   CYS   5          1HB       CYS   5  -3.401  -1.420   2.272
   43   2HB   CYS   5          2HB       CYS   5  -4.468  -2.776   1.898
   44    H    GLN   6           H        GLN   6  -2.586  -2.738  -1.428
   45    HA   GLN   6           HA       GLN   6  -4.900  -4.052  -2.823
   46   1HB   GLN   6          1HB       GLN   6  -2.033  -3.671  -3.805
   47   2HB   GLN   6          2HB       GLN   6  -3.382  -4.251  -4.754
   48   1HG   GLN   6          2HG       GLN   6  -3.225  -1.444  -3.561
   49   2HG   GLN   6          1HG       GLN   6  -2.829  -1.847  -5.217
   50   1HE2  GLN   6          2HE2      GLN   6  -4.507  -1.702  -6.681
   51   2HE2  GLN   6          1HE2      GLN   6  -6.153  -1.676  -6.278
   52    H    TYR   7           H        TYR   7  -3.564  -4.817  -0.309
   53    HA   TYR   7           HA       TYR   7  -2.926  -7.643  -1.015
   54   1HB   TYR   7          1HB       TYR   7  -1.405  -5.982   1.034
   55   2HB   TYR   7          2HB       TYR   7  -1.043  -7.638   0.568
   56    HD1  TYR   7           HD1      TYR   7  -0.502  -8.026  -1.985
   57    HD2  TYR   7           HD2      TYR   7  -0.391  -4.206  -0.112
   58    HE1  TYR   7           HE1      TYR   7   0.893  -7.168  -3.806
   59    HE2  TYR   7           HE2      TYR   7   0.993  -3.354  -1.930
   60    HH   TYR   7           HH       TYR   7   1.896  -5.375  -4.689
   61    H    CYS   8           H        CYS   8  -3.315  -5.489   1.748
   62    HA   CYS   8           HA       CYS   8  -5.174  -7.459   3.033
   63   1HB   CYS   8          1HB       CYS   8  -4.390  -6.746   5.162
   64   2HB   CYS   8          2HB       CYS   8  -2.943  -6.976   4.187
   65    H    GLU   9           H        GLU   9  -6.041  -5.781   5.028
   66    HA   GLU   9           HA       GLU   9  -7.776  -3.866   3.521
   67   1HB   GLU   9          1HB       GLU   9  -8.305  -5.408   6.105
   68   2HB   GLU   9          2HB       GLU   9  -9.393  -4.229   5.411
   69   1HG   GLU   9          2HG       GLU   9 -10.084  -6.528   4.823
   70   2HG   GLU   9          1HG       GLU   9  -9.727  -5.587   3.394
   71    H    PHE  10           H        PHE  10  -5.550  -2.761   3.964
   72    HA   PHE  10           HA       PHE  10  -5.717  -1.101   6.456
   73   1HB   PHE  10          1HB       PHE  10  -3.488  -2.134   6.242
   74   2HB   PHE  10          2HB       PHE  10  -3.378  -1.685   4.547
   75    HD1  PHE  10           HD1      PHE  10  -3.753  -0.148   7.969
   76    HD2  PHE  10           HD2      PHE  10  -2.378   0.371   3.975
   77    HE1  PHE  10           HE1      PHE  10  -2.789   2.025   8.580
   78    HE2  PHE  10           HE2      PHE  10  -1.435   2.604   4.618
   79    HZ   PHE  10           HZ       PHE  10  -1.627   3.389   6.863
   80    H    ARG  11           H        ARG  11  -6.627   0.814   6.087
   81    HA   ARG  11           HA       ARG  11  -6.483   2.001   3.336
   82   1HB   ARG  11          1HB       ARG  11  -8.676   2.973   3.770
   83   2HB   ARG  11          2HB       ARG  11  -8.737   1.231   3.902
   84   1HG   ARG  11          2HG       ARG  11  -8.479   1.568   6.466
   85   2HG   ARG  11          1HG       ARG  11  -8.801   3.269   6.166
   86   1HD   ARG  11          2HD       ARG  11 -10.613   0.915   5.492
   87   2HD   ARG  11          1HD       ARG  11 -10.943   2.212   6.635
   88    HE   ARG  11           HE       ARG  11 -11.112   3.768   4.709
   89   1HH1  ARG  11          2HH2      ARG  11 -12.859   1.143   4.506
   90   2HH1  ARG  11          1HH2      ARG  11 -12.796   0.888   2.795
   91   1HH2  ARG  11          1HH1      ARG  11 -10.207   3.191   2.323
   92   2HH2  ARG  11          2HH1      ARG  11 -11.234   2.042   1.549
   93    H    SER  12           H        SER  12  -5.839   3.954   3.145
   94    HA   SER  12           HA       SER  12  -5.335   5.712   5.511
   95   1HB   SER  12          2HB       SER  12  -3.298   5.137   3.269
   96   2HB   SER  12          1HB       SER  12  -2.878   5.841   4.774
   97    HG   SER  12           HG       SER  12  -3.363   3.270   4.245
   98    H    ALA  13           H        ALA  13  -4.742   8.033   4.547
   99    HA   ALA  13           HA       ALA  13  -6.282   8.521   2.022
  100   1HB   ALA  13          1HB       ALA  13  -7.435  10.434   3.125
  101   2HB   ALA  13          2HB       ALA  13  -6.638  10.038   4.642
  102   3HB   ALA  13          3HB       ALA  13  -7.803   8.926   3.950
  103    H    ASP  14           H        ASP  14  -3.446   8.483   2.786
  104    HA   ASP  14           HA       ASP  14  -2.676  11.303   2.164
  105   1HB   ASP  14          1HB       ASP  14  -1.793  10.547   4.318
  106   2HB   ASP  14          2HB       ASP  14  -1.209   9.074   3.583
  107    H    SER  15           H        SER  15  -1.391   8.091   1.762
  108    HA   SER  15           HA       SER  15  -1.134   7.002  -0.420
  109   1HB   SER  15          2HB       SER  15  -1.484   9.136  -1.810
  110   2HB   SER  15          1HB       SER  15   0.149   9.653  -1.344
  111    HG   SER  15           HG       SER  15   0.917   8.255  -2.676
  112    H    SER  16           H        SER  16   1.392   9.429   0.483
  113    HA   SER  16           HA       SER  16   3.584   7.681   0.039
  114   1HB   SER  16          2HB       SER  16   4.932   9.238   1.376
  115   2HB   SER  16          1HB       SER  16   3.690  10.232   0.616
  116    HG   SER  16           HG       SER  16   3.084  10.727   2.531
  117    H    ASN  17           H        ASN  17   1.561   8.169   2.894
  118    HA   ASN  17           HA       ASN  17   2.909   6.397   4.665
  119   1HB   ASN  17          1HB       ASN  17  -0.079   7.033   4.486
  120   2HB   ASN  17          2HB       ASN  17   0.677   6.218   5.848
  121   1HD2  ASN  17          2HD2      ASN  17  -0.610   9.051   5.359
  122   2HD2  ASN  17          1HD2      ASN  17   0.498  10.096   6.105
  123    H    LEU  18           H        LEU  18   0.111   5.750   2.514
  124    HA   LEU  18           HA       LEU  18  -0.090   2.994   3.030
  125   1HB   LEU  18          1HB       LEU  18  -1.755   4.354   1.692
  126   2HB   LEU  18          2HB       LEU  18  -0.590   4.453   0.375
  127    HG   LEU  18           HG       LEU  18  -0.720   2.047  -0.026
  128   1HD1  LEU  18          1HD1      LEU  18  -2.271   0.604   1.276
  129   2HD1  LEU  18          2HD1      LEU  18  -2.649   1.947   2.340
  130   3HD1  LEU  18          3HD1      LEU  18  -1.034   1.252   2.325
  131   1HD2  LEU  18          1HD2      LEU  18  -3.110   1.885  -0.679
  132   2HD2  LEU  18          2HD2      LEU  18  -2.482   3.486  -1.037
  133   3HD2  LEU  18          3HD2      LEU  18  -3.496   3.234   0.379
  134    H    LYS  19           H        LYS  19   1.901   4.582   0.561
  135    HA   LYS  19           HA       LYS  19   2.954   2.186  -0.545
  136   1HB   LYS  19          1HB       LYS  19   4.279   4.947  -0.189
  137   2HB   LYS  19          2HB       LYS  19   4.952   3.682  -1.207
  138   1HG   LYS  19          2HG       LYS  19   2.787   3.665  -2.521
  139   2HG   LYS  19          1HG       LYS  19   2.239   5.025  -1.560
  140   1HD   LYS  19          2HD       LYS  19   4.098   6.415  -2.359
  141   2HD   LYS  19          1HD       LYS  19   4.795   5.056  -3.221
  142   1HE   LYS  19          2HE       LYS  19   3.542   6.461  -4.806
  143   2HE   LYS  19          1HE       LYS  19   2.702   4.926  -4.624
  144   1HZ   LYS  19          1HZ       LYS  19   1.778   6.675  -2.657
  145   2HZ   LYS  19          2HZ       LYS  19   0.927   6.007  -3.964
  146   3HZ   LYS  19          3HZ       LYS  19   1.739   7.487  -4.143
  147    H    THR  20           H        THR  20   4.293   4.164   2.106
  148    HA   THR  20           HA       THR  20   6.472   2.486   2.751
  149    HB   THR  20           HB       THR  20   4.642   4.122   4.658
  150    HG1  THR  20           HG1      THR  20   5.407   5.332   3.007
  151   1HG2  THR  20          1HG2      THR  20   6.677   4.358   6.034
  152   2HG2  THR  20          2HG2      THR  20   7.645   3.477   4.860
  153   3HG2  THR  20          3HG2      THR  20   6.436   2.634   5.817
  154    H    HIS  21           H        HIS  21   3.149   2.335   3.989
  155    HA   HIS  21           HA       HIS  21   3.301   0.113   5.643
  156   1HB   HIS  21          1HB       HIS  21   1.188   1.251   5.464
  157   2HB   HIS  21          2HB       HIS  21   1.095   1.046   3.736
  158    HD1  HIS  21           HD1      HIS  21   0.797  -1.025   6.831
  159    HD2  HIS  21           HD2      HIS  21  -0.034  -1.277   2.841
  160    HE1  HIS  21           HE1      HIS  21  -0.518  -3.098   6.526
  161    H    ILE  22           H        ILE  22   2.565   0.004   2.141
  162    HA   ILE  22           HA       ILE  22   2.628  -2.747   1.735
  163    HB   ILE  22           HB       ILE  22   3.554  -0.502  -0.128
  164   1HG1  ILE  22          2HG1      ILE  22   0.908  -2.025   0.031
  165   2HG1  ILE  22          1HG1      ILE  22   1.153  -0.458   0.762
  166   1HG2  ILE  22          1HG2      ILE  22   4.462  -2.696  -0.901
  167   2HG2  ILE  22          2HG2      ILE  22   3.195  -2.158  -1.979
  168   3HG2  ILE  22          3HG2      ILE  22   2.865  -3.402  -0.784
  169   1HD1  ILE  22          1HD       ILE  22   1.637   0.523  -1.472
  170   2HD1  ILE  22          2HD       ILE  22   0.051  -0.220  -1.416
  171   3HD1  ILE  22          3HD       ILE  22   1.370  -1.043  -2.223
  172    H    LYS  23           H        LYS  23   5.425  -0.567   1.580
  173    HA   LYS  23           HA       LYS  23   7.339  -2.514   0.909
  174   1HB   LYS  23          1HB       LYS  23   7.346   0.283   1.531
  175   2HB   LYS  23          2HB       LYS  23   8.521  -0.435   2.615
  176   1HG   LYS  23          2HG       LYS  23   9.552  -1.626   0.656
  177   2HG   LYS  23          1HG       LYS  23   8.406  -0.830  -0.405
  178   1HD   LYS  23          2HD       LYS  23   9.331   1.398   0.374
  179   2HD   LYS  23          1HD       LYS  23  10.526   0.523   1.317
  180   1HE   LYS  23          2HE       LYS  23  11.526   1.134  -0.844
  181   2HE   LYS  23          1HE       LYS  23  11.306  -0.606  -0.812
  182   1HZ   LYS  23          1HZ       LYS  23  10.052  -0.457  -2.594
  183   2HZ   LYS  23          2HZ       LYS  23  10.278   1.226  -2.634
  184   3HZ   LYS  23          3HZ       LYS  23   8.960   0.567  -1.787
  185    H    THR  24           H        THR  24   6.205  -1.628   4.118
  186    HA   THR  24           HA       THR  24   8.223  -3.382   5.373
  187    HB   THR  24           HB       THR  24   7.153  -2.742   7.549
  188    HG1  THR  24           HG1      THR  24   5.141  -2.132   5.800
  189   1HG2  THR  24          1HG2      THR  24   7.397  -0.343   5.659
  190   2HG2  THR  24          2HG2      THR  24   8.763  -1.099   6.466
  191   3HG2  THR  24          3HG2      THR  24   7.514  -0.302   7.411
  192    H    LYS  25           H        LYS  25   4.720  -3.562   4.874
  193    HA   LYS  25           HA       LYS  25   4.650  -6.225   6.149
  194   1HB   LYS  25          1HB       LYS  25   2.524  -4.267   5.277
  195   2HB   LYS  25          2HB       LYS  25   2.087  -5.902   5.734
  196   1HG   LYS  25          2HG       LYS  25   3.599  -3.895   7.475
  197   2HG   LYS  25          1HG       LYS  25   1.891  -4.252   7.603
  198   1HD   LYS  25          2HD       LYS  25   2.502  -6.681   8.100
  199   2HD   LYS  25          1HD       LYS  25   4.189  -6.201   8.139
  200   1HE   LYS  25          2HE       LYS  25   3.322  -6.230  10.419
  201   2HE   LYS  25          1HE       LYS  25   3.689  -4.574   9.963
  202   1HZ   LYS  25          1HZ       LYS  25   1.053  -5.138   9.212
  203   2HZ   LYS  25          2HZ       LYS  25   1.613  -4.028  10.367
  204   3HZ   LYS  25          3HZ       LYS  25   1.265  -5.626  10.824
  205    H    HIS  26           H        HIS  26   4.424  -4.966   2.923
  206    HA   HIS  26           HA       HIS  26   3.810  -7.720   1.938
  207   1HB   HIS  26          1HB       HIS  26   2.994  -5.066   0.697
  208   2HB   HIS  26          2HB       HIS  26   2.543  -6.658   0.119
  209    HD1  HIS  26           HD1      HIS  26   1.393  -8.025   2.466
  210    HD2  HIS  26           HD2      HIS  26   0.919  -3.997   2.021
  211    HE1  HIS  26           HE1      HIS  26  -0.579  -7.400   3.826
  212    H    SER  27           H        SER  27   6.178  -7.805   2.131
  213    HA   SER  27           HA       SER  27   7.694  -6.441  -0.029
  214   1HB   SER  27          2HB       SER  27   8.654  -8.163   2.285
  215   2HB   SER  27          1HB       SER  27   9.698  -7.337   1.130
  216    HG   SER  27           HG       SER  27   7.913  -5.582   1.891
  217    H    LYS  28           H        LYS  28   5.962  -9.224   0.001
  218    HA   LYS  28           HA       LYS  28   7.894 -10.602  -1.856
  219   1HB   LYS  28          1HB       LYS  28   6.844 -12.721  -1.172
  220   2HB   LYS  28          2HB       LYS  28   7.412 -11.862   0.245
  221   1HG   LYS  28          2HG       LYS  28   5.116 -11.079   0.745
  222   2HG   LYS  28          1HG       LYS  28   4.503 -11.902  -0.678
  223   1HD   LYS  28          2HD       LYS  28   5.366 -14.073   0.210
  224   2HD   LYS  28          1HD       LYS  28   5.896 -13.246   1.658
  225   1HE   LYS  28          2HE       LYS  28   3.557 -12.589   2.161
  226   2HE   LYS  28          1HE       LYS  28   3.013 -13.368   0.681
  227   1HZ   LYS  28          1HZ       LYS  28   2.898 -15.261   1.752
  228   2HZ   LYS  28          2HZ       LYS  28   3.422 -14.512   3.182
  229   3HZ   LYS  28          3HZ       LYS  28   4.554 -15.198   2.120
  230    H    GLU  29           H        GLU  29   6.543  -8.543  -2.704
  231    HA   GLU  29           HA       GLU  29   4.385  -9.634  -4.464
  232   1HB   GLU  29          1HB       GLU  29   4.578  -6.771  -3.408
  233   2HB   GLU  29          2HB       GLU  29   3.256  -7.461  -4.311
  234   1HG   GLU  29          2HG       GLU  29   4.136  -8.373  -1.529
  235   2HG   GLU  29          1HG       GLU  29   2.835  -7.253  -1.842
  236    H    LYS  30           H        LYS  30   7.411  -8.194  -4.273
  237    HA   LYS  30           HA       LYS  30   7.313  -7.323  -7.139
  238   1HB   LYS  30          1HB       LYS  30   9.189  -6.356  -4.923
  239   2HB   LYS  30          2HB       LYS  30   9.226  -5.826  -6.590
  240   1HG   LYS  30          2HG       LYS  30   8.073  -4.098  -5.477
  241   2HG   LYS  30          1HG       LYS  30   6.812  -5.009  -6.272
  242   1HD   LYS  30          2HD       LYS  30   6.452  -6.210  -3.972
  243   2HD   LYS  30          1HD       LYS  30   7.591  -5.069  -3.324
  244   1HE   LYS  30          2HE       LYS  30   5.217  -4.354  -2.998
  245   2HE   LYS  30          1HE       LYS  30   6.140  -3.180  -3.915
  246   1HZ   LYS  30          1HZ       LYS  30   5.002  -5.055  -5.679
  247   2HZ   LYS  30          2HZ       LYS  30   4.725  -3.383  -5.566
  248   3HZ   LYS  30          3HZ       LYS  30   3.787  -4.459  -4.657
  Start of MODEL    9
    1   1H    LYS   1          1H        LYS   1 -11.319  12.391  -0.350
    2   2H    LYS   1          2H        LYS   1 -10.391  12.078   1.035
    3   3H    LYS   1          3H        LYS   1 -12.085  12.021   1.116
    4    HA   LYS   1           HA       LYS   1 -12.062   9.888   0.650
    5   1HB   LYS   1          2HB       LYS   1 -12.307  10.634  -1.697
    6   2HB   LYS   1          1HB       LYS   1 -10.573  10.816  -1.857
    7   1HG   LYS   1          2HG       LYS   1 -10.229   8.423  -1.656
    8   2HG   LYS   1          1HG       LYS   1 -11.920   8.151  -1.262
    9   1HD   LYS   1          2HD       LYS   1 -12.532   8.960  -3.559
   10   2HD   LYS   1          1HD       LYS   1 -10.834   9.259  -3.897
   11   1HE   LYS   1          2HE       LYS   1 -11.578   7.062  -4.820
   12   2HE   LYS   1          1HE       LYS   1 -10.313   6.859  -3.616
   13   1HZ   LYS   1          1HZ       LYS   1 -11.670   5.596  -2.447
   14   2HZ   LYS   1          2HZ       LYS   1 -12.870   5.758  -3.637
   15   3HZ   LYS   1          3HZ       LYS   1 -12.814   6.844  -2.333
   16    H    THR   2           H        THR   2 -10.755   7.947   0.478
   17    HA   THR   2           HA       THR   2  -7.921   8.299   1.388
   18    HB   THR   2           HB       THR   2  -8.301   6.338   2.938
   19    HG1  THR   2           HG1      THR   2  -9.880   5.113   2.341
   20   1HG2  THR   2          1HG2      THR   2  -9.095   8.668   3.747
   21   2HG2  THR   2          2HG2      THR   2  -9.987   7.335   4.455
   22   3HG2  THR   2          3HG2      THR   2 -10.686   8.271   3.144
   23    H    TYR   3           H        TYR   3  -6.764   6.128   1.190
   24    HA   TYR   3           HA       TYR   3  -7.315   4.898  -1.469
   25   1HB   TYR   3          1HB       TYR   3  -4.621   5.095  -0.065
   26   2HB   TYR   3          2HB       TYR   3  -4.917   4.766  -1.765
   27    HD1  TYR   3           HD1      TYR   3  -6.318   6.798  -2.986
   28    HD2  TYR   3           HD2      TYR   3  -3.935   7.200   0.526
   29    HE1  TYR   3           HE1      TYR   3  -6.103   9.204  -3.395
   30    HE2  TYR   3           HE2      TYR   3  -3.727   9.600   0.108
   31    HH   TYR   3           HH       TYR   3  -5.178  11.096  -2.760
   32    H    GLN   4           H        GLN   4  -6.917   2.628  -1.560
   33    HA   GLN   4           HA       GLN   4  -6.861   1.263   1.109
   34   1HB   GLN   4          1HB       GLN   4  -8.831   1.182  -0.981
   35   2HB   GLN   4          2HB       GLN   4  -8.048  -0.373  -1.007
   36   1HG   GLN   4          2HG       GLN   4  -9.207   0.921   1.509
   37   2HG   GLN   4          1HG       GLN   4 -10.063  -0.235   0.515
   38   1HE2  GLN   4          1HE2      GLN   4  -7.387  -1.790   0.127
   39   2HE2  GLN   4          2HE2      GLN   4  -7.242  -2.669   1.563
   40    H    CYS   5           H        CYS   5  -5.894  -0.775   1.147
   41    HA   CYS   5           HA       CYS   5  -3.444  -0.955  -0.433
   42   1HB   CYS   5          1HB       CYS   5  -3.494  -1.314   2.011
   43   2HB   CYS   5          2HB       CYS   5  -4.590  -2.678   1.789
   44    H    GLN   6           H        GLN   6  -2.845  -2.904  -1.529
   45    HA   GLN   6           HA       GLN   6  -5.146  -4.451  -2.676
   46   1HB   GLN   6          1HB       GLN   6  -2.518  -3.665  -4.032
   47   2HB   GLN   6          2HB       GLN   6  -3.800  -4.597  -4.767
   48   1HG   GLN   6          2HG       GLN   6  -4.080  -2.380  -5.602
   49   2HG   GLN   6          1HG       GLN   6  -5.351  -2.582  -4.415
   50   1HE2  GLN   6          2HE2      GLN   6  -2.258  -2.078  -2.892
   51   2HE2  GLN   6          1HE2      GLN   6  -2.466  -0.419  -2.594
   52    H    TYR   7           H        TYR   7  -3.687  -5.033  -0.341
   53    HA   TYR   7           HA       TYR   7  -2.542  -7.691  -1.043
   54   1HB   TYR   7          1HB       TYR   7  -1.380  -5.664   0.918
   55   2HB   TYR   7          2HB       TYR   7  -0.705  -7.260   0.623
   56    HD1  TYR   7           HD1      TYR   7  -0.056  -7.793  -1.877
   57    HD2  TYR   7           HD2      TYR   7  -0.679  -3.833  -0.434
   58    HE1  TYR   7           HE1      TYR   7   1.172  -6.890  -3.794
   59    HE2  TYR   7           HE2      TYR   7   0.546  -2.943  -2.346
   60    HH   TYR   7           HH       TYR   7   1.620  -3.394  -4.219
   61    H    CYS   8           H        CYS   8  -3.448  -5.534   1.563
   62    HA   CYS   8           HA       CYS   8  -5.105  -7.680   2.839
   63   1HB   CYS   8          1HB       CYS   8  -4.499  -6.810   5.011
   64   2HB   CYS   8          2HB       CYS   8  -3.015  -7.115   4.124
   65    H    GLU   9           H        GLU   9  -6.293  -6.187   4.705
   66    HA   GLU   9           HA       GLU   9  -7.988  -4.304   3.097
   67   1HB   GLU   9          1HB       GLU   9  -9.006  -6.413   4.130
   68   2HB   GLU   9          2HB       GLU   9  -8.678  -5.727   5.707
   69   1HG   GLU   9          2HG       GLU   9 -10.111  -3.735   5.127
   70   2HG   GLU   9          1HG       GLU   9 -10.384  -4.420   3.532
   71    H    PHE  10           H        PHE  10  -5.950  -3.087   3.571
   72    HA   PHE  10           HA       PHE  10  -6.132  -1.504   6.110
   73   1HB   PHE  10          1HB       PHE  10  -3.950  -2.633   5.898
   74   2HB   PHE  10          2HB       PHE  10  -3.773  -2.064   4.241
   75    HD1  PHE  10           HD1      PHE  10  -4.121  -0.801   7.758
   76    HD2  PHE  10           HD2      PHE  10  -2.697  -0.012   3.814
   77    HE1  PHE  10           HE1      PHE  10  -3.052   1.263   8.550
   78    HE2  PHE  10           HE2      PHE  10  -1.642   2.102   4.646
   79    HZ   PHE  10           HZ       PHE  10  -1.811   2.710   6.935
   80    H    ARG  11           H        ARG  11  -6.365   0.690   5.906
   81    HA   ARG  11           HA       ARG  11  -6.323   1.903   3.182
   82   1HB   ARG  11          1HB       ARG  11  -8.442   3.142   3.803
   83   2HB   ARG  11          2HB       ARG  11  -8.662   1.416   3.600
   84   1HG   ARG  11          2HG       ARG  11  -8.508   1.137   6.101
   85   2HG   ARG  11          1HG       ARG  11  -8.409   2.888   6.255
   86   1HD   ARG  11          2HD       ARG  11 -10.607   3.139   5.158
   87   2HD   ARG  11          1HD       ARG  11 -10.690   1.402   4.883
   88    HE   ARG  11           HE       ARG  11 -10.671   2.641   7.614
   89   1HH1  ARG  11          2HH1      ARG  11 -12.967   1.493   5.691
   90   2HH1  ARG  11          1HH1      ARG  11 -13.390   0.086   6.607
   91   1HH2  ARG  11          2HH2      ARG  11 -10.561   0.319   8.657
   92   2HH2  ARG  11          1HH2      ARG  11 -11.993  -0.596   8.318
   93    H    SER  12           H        SER  12  -5.750   4.023   3.129
   94    HA   SER  12           HA       SER  12  -5.040   5.426   5.671
   95   1HB   SER  12          2HB       SER  12  -2.931   5.072   3.445
   96   2HB   SER  12          1HB       SER  12  -2.611   5.512   5.057
   97    HG   SER  12           HG       SER  12  -2.664   3.658   5.657
   98    H    ALA  13           H        ALA  13  -4.542   7.761   5.267
   99    HA   ALA  13           HA       ALA  13  -5.898   8.754   2.771
  100   1HB   ALA  13          1HB       ALA  13  -6.845  10.576   4.156
  101   2HB   ALA  13          2HB       ALA  13  -6.036   9.932   5.575
  102   3HB   ALA  13          3HB       ALA  13  -7.312   9.014   4.797
  103    H    ASP  14           H        ASP  14  -3.154   8.414   2.762
  104    HA   ASP  14           HA       ASP  14  -2.242  11.269   2.724
  105   1HB   ASP  14          1HB       ASP  14  -1.279  10.137   4.684
  106   2HB   ASP  14          2HB       ASP  14  -0.680   8.853   3.650
  107    H    SER  15           H        SER  15  -1.047   8.140   1.757
  108    HA   SER  15           HA       SER  15  -1.013   7.412  -0.615
  109   1HB   SER  15          2HB       SER  15  -1.245   9.712  -1.672
  110   2HB   SER  15          1HB       SER  15   0.367  10.147  -1.086
  111    HG   SER  15           HG       SER  15   1.131   9.091  -2.704
  112    H    SER  16           H        SER  16   1.750   9.513   0.386
  113    HA   SER  16           HA       SER  16   3.714   7.525  -0.226
  114   1HB   SER  16          2HB       SER  16   5.283   8.907   1.168
  115   2HB   SER  16          1HB       SER  16   4.274   9.987   0.194
  116    HG   SER  16           HG       SER  16   3.433  10.705   1.959
  117    H    ASN  17           H        ASN  17   1.723   8.125   2.539
  118    HA   ASN  17           HA       ASN  17   3.000   6.393   4.429
  119   1HB   ASN  17          1HB       ASN  17   1.208   8.123   4.996
  120   2HB   ASN  17          2HB       ASN  17   0.031   7.063   4.224
  121   1HD2  ASN  17          2HD2      ASN  17   1.402   7.791   7.211
  122   2HD2  ASN  17          1HD2      ASN  17   0.986   6.363   8.026
  123    H    LEU  18           H        LEU  18   0.233   5.887   2.194
  124    HA   LEU  18           HA       LEU  18  -0.134   3.144   2.827
  125   1HB   LEU  18          1HB       LEU  18  -1.782   4.479   1.483
  126   2HB   LEU  18          2HB       LEU  18  -0.621   4.603   0.167
  127    HG   LEU  18           HG       LEU  18  -0.705   2.189  -0.239
  128   1HD1  LEU  18          1HD1      LEU  18  -2.696   2.034   2.080
  129   2HD1  LEU  18          2HD1      LEU  18  -1.069   1.380   2.114
  130   3HD1  LEU  18          3HD1      LEU  18  -2.249   0.709   1.012
  131   1HD2  LEU  18          1HD2      LEU  18  -3.515   3.341   0.078
  132   2HD2  LEU  18          2HD2      LEU  18  -3.064   2.001  -0.960
  133   3HD2  LEU  18          3HD2      LEU  18  -2.457   3.612  -1.302
  134    H    LYS  19           H        LYS  19   1.943   4.693   0.415
  135    HA   LYS  19           HA       LYS  19   2.993   2.307  -0.739
  136   1HB   LYS  19          1HB       LYS  19   3.389   4.805  -1.473
  137   2HB   LYS  19          2HB       LYS  19   4.576   4.887  -0.190
  138   1HG   LYS  19          2HG       LYS  19   5.827   2.974  -1.259
  139   2HG   LYS  19          1HG       LYS  19   4.650   2.967  -2.559
  140   1HD   LYS  19          2HD       LYS  19   6.420   4.285  -3.433
  141   2HD   LYS  19          1HD       LYS  19   5.243   5.472  -2.910
  142   1HE   LYS  19          2HE       LYS  19   7.399   6.230  -2.101
  143   2HE   LYS  19          1HE       LYS  19   6.548   5.628  -0.689
  144   1HZ   LYS  19          1HZ       LYS  19   7.898   3.494  -1.911
  145   2HZ   LYS  19          2HZ       LYS  19   8.147   4.166  -0.370
  146   3HZ   LYS  19          3HZ       LYS  19   8.984   4.783  -1.715
  147    H    THR  20           H        THR  20   4.344   4.230   1.949
  148    HA   THR  20           HA       THR  20   6.435   2.500   2.632
  149    HB   THR  20           HB       THR  20   4.599   4.121   4.551
  150    HG1  THR  20           HG1      THR  20   5.503   5.351   2.994
  151   1HG2  THR  20          1HG2      THR  20   6.239   2.472   5.717
  152   2HG2  THR  20          2HG2      THR  20   6.597   4.161   6.030
  153   3HG2  THR  20          3HG2      THR  20   7.546   3.261   4.855
  154    H    HIS  21           H        HIS  21   3.066   2.367   3.780
  155    HA   HIS  21           HA       HIS  21   3.182   0.075   5.360
  156   1HB   HIS  21          1HB       HIS  21   1.104   1.331   5.208
  157   2HB   HIS  21          2HB       HIS  21   0.974   1.084   3.486
  158    HD1  HIS  21           HD1      HIS  21   0.568  -0.865   6.642
  159    HD2  HIS  21           HD2      HIS  21  -0.127  -1.286   2.637
  160    HE1  HIS  21           HE1      HIS  21  -0.772  -2.926   6.381
  161    H    ILE  22           H        ILE  22   2.347   0.123   1.878
  162    HA   ILE  22           HA       ILE  22   2.327  -2.582   1.320
  163    HB   ILE  22           HB       ILE  22   3.283  -0.232  -0.398
  164   1HG1  ILE  22          2HG1      ILE  22   0.632  -1.734  -0.382
  165   2HG1  ILE  22          1HG1      ILE  22   0.884  -0.239   0.487
  166   1HG2  ILE  22          1HG2      ILE  22   2.607  -3.059  -1.314
  167   2HG2  ILE  22          2HG2      ILE  22   4.196  -2.326  -1.361
  168   3HG2  ILE  22          3HG2      ILE  22   2.928  -1.699  -2.380
  169   1HD1  ILE  22          1HD       ILE  22   1.102  -0.588  -2.537
  170   2HD1  ILE  22          2HD       ILE  22   1.431   0.906  -1.672
  171   3HD1  ILE  22          3HD       ILE  22  -0.186   0.227  -1.671
  172    H    LYS  23           H        LYS  23   5.179  -0.564   1.661
  173    HA   LYS  23           HA       LYS  23   6.932  -2.721   0.787
  174   1HB   LYS  23          1HB       LYS  23   7.228  -0.101   0.664
  175   2HB   LYS  23          2HB       LYS  23   7.825  -0.240   2.298
  176   1HG   LYS  23          2HG       LYS  23   8.955  -1.730  -0.100
  177   2HG   LYS  23          1HG       LYS  23   9.631  -0.268   0.586
  178   1HD   LYS  23          2HD       LYS  23  10.025  -1.443   2.737
  179   2HD   LYS  23          1HD       LYS  23   9.370  -2.925   2.072
  180   1HE   LYS  23          2HE       LYS  23  11.121  -2.862   0.274
  181   2HE   LYS  23          1HE       LYS  23  11.819  -1.448   1.051
  182   1HZ   LYS  23          1HZ       LYS  23  12.898  -2.762   2.405
  183   2HZ   LYS  23          2HZ       LYS  23  12.223  -4.133   1.661
  184   3HZ   LYS  23          3HZ       LYS  23  11.442  -3.421   2.990
  185    H    THR  24           H        THR  24   6.747  -0.959   3.798
  186    HA   THR  24           HA       THR  24   8.192  -2.459   5.561
  187    HB   THR  24           HB       THR  24   5.636  -0.876   6.208
  188    HG1  THR  24           HG1      THR  24   8.034  -0.268   5.104
  189   1HG2  THR  24          1HG2      THR  24   6.749  -2.112   8.187
  190   2HG2  THR  24          2HG2      THR  24   6.863  -0.364   8.310
  191   3HG2  THR  24          3HG2      THR  24   8.249  -1.300   7.774
  192    H    LYS  25           H        LYS  25   4.790  -3.011   4.822
  193    HA   LYS  25           HA       LYS  25   4.696  -5.346   6.615
  194   1HB   LYS  25          1HB       LYS  25   2.662  -3.443   5.517
  195   2HB   LYS  25          2HB       LYS  25   2.124  -5.078   5.848
  196   1HG   LYS  25          2HG       LYS  25   1.763  -3.621   7.780
  197   2HG   LYS  25          1HG       LYS  25   2.869  -4.920   8.159
  198   1HD   LYS  25          2HD       LYS  25   4.796  -3.326   7.891
  199   2HD   LYS  25          1HD       LYS  25   3.662  -2.028   7.537
  200   1HE   LYS  25          2HE       LYS  25   4.323  -1.992   9.934
  201   2HE   LYS  25          1HE       LYS  25   2.623  -2.426   9.812
  202   1HZ   LYS  25          1HZ       LYS  25   3.058  -4.302  10.844
  203   2HZ   LYS  25          2HZ       LYS  25   4.696  -3.868  10.974
  204   3HZ   LYS  25          3HZ       LYS  25   4.156  -4.763   9.636
  205    H    HIS  26           H        HIS  26   4.369  -4.668   3.115
  206    HA   HIS  26           HA       HIS  26   3.739  -7.588   2.831
  207   1HB   HIS  26          1HB       HIS  26   3.277  -5.335   0.860
  208   2HB   HIS  26          2HB       HIS  26   2.893  -7.016   0.588
  209    HD1  HIS  26           HD1      HIS  26   1.438  -7.932   2.878
  210    HD2  HIS  26           HD2      HIS  26   1.046  -4.012   1.802
  211    HE1  HIS  26           HE1      HIS  26  -0.669  -7.139   3.895
  212    H    SER  27           H        SER  27   5.384  -5.374   0.705
  213    HA   SER  27           HA       SER  27   6.853  -7.101  -0.830
  214   1HB   SER  27          2HB       SER  27   8.512  -5.343  -1.230
  215   2HB   SER  27          1HB       SER  27   6.974  -4.533  -0.926
  216    HG   SER  27           HG       SER  27   7.947  -4.874   1.427
  217    H    LYS  28           H        LYS  28   7.825  -6.051   2.313
  218    HA   LYS  28           HA       LYS  28  10.276  -6.920   2.878
  219   1HB   LYS  28          1HB       LYS  28   9.616  -7.225   5.164
  220   2HB   LYS  28          2HB       LYS  28   8.472  -6.078   4.504
  221   1HG   LYS  28          2HG       LYS  28   6.842  -7.978   4.135
  222   2HG   LYS  28          1HG       LYS  28   7.980  -9.060   4.924
  223   1HD   LYS  28          2HD       LYS  28   7.888  -7.374   6.910
  224   2HD   LYS  28          1HD       LYS  28   6.438  -6.773   6.136
  225   1HE   LYS  28          2HE       LYS  28   6.940  -9.619   7.099
  226   2HE   LYS  28          1HE       LYS  28   5.784  -8.474   7.763
  227   1HZ   LYS  28          1HZ       LYS  28   4.293  -9.205   6.355
  228   2HZ   LYS  28          2HZ       LYS  28   5.410 -10.314   5.712
  229   3HZ   LYS  28          3HZ       LYS  28   5.261  -8.766   5.031
  230    H    GLU  29           H        GLU  29   7.622  -9.095   2.565
  231    HA   GLU  29           HA       GLU  29   9.445 -11.462   2.425
  232   1HB   GLU  29          1HB       GLU  29   7.962 -11.287   4.501
  233   2HB   GLU  29          2HB       GLU  29   6.565 -11.381   3.449
  234   1HG   GLU  29          2HG       GLU  29   7.413 -13.620   2.604
  235   2HG   GLU  29          1HG       GLU  29   8.738 -13.498   3.751
  236    H    LYS  30           H        LYS  30   9.288 -10.281   0.267
  237    HA   LYS  30           HA       LYS  30   7.804  -9.907  -1.733
  238   1HB   LYS  30          1HB       LYS  30   9.194 -11.372  -3.235
  239   2HB   LYS  30          2HB       LYS  30  10.107 -10.414  -2.092
  240   1HG   LYS  30          2HG       LYS  30  10.258 -12.418  -0.560
  241   2HG   LYS  30          1HG       LYS  30   9.433 -13.376  -1.777
  242   1HD   LYS  30          2HD       LYS  30  11.238 -12.870  -3.413
  243   2HD   LYS  30          1HD       LYS  30  12.073 -11.921  -2.194
  244   1HE   LYS  30          2HE       LYS  30  13.032 -14.201  -2.336
  245   2HE   LYS  30          1HE       LYS  30  12.303 -13.943  -0.760
  246   1HZ   LYS  30          1HZ       LYS  30  11.727 -15.920  -2.629
  247   2HZ   LYS  30          2HZ       LYS  30  10.349 -14.937  -2.506
  248   3HZ   LYS  30          3HZ       LYS  30  11.000 -15.667  -1.117
  Start of MODEL   10
    1   1H    LYS   1          1H        LYS   1  -9.999   9.731  -1.234
    2   2H    LYS   1          2H        LYS   1  -9.656  11.342  -1.642
    3   3H    LYS   1          3H        LYS   1 -11.040  10.976  -0.732
    4    HA   LYS   1           HA       LYS   1  -8.465  11.574   0.155
    5   1HB   LYS   1          2HB       LYS   1 -11.051  10.759   1.566
    6   2HB   LYS   1          1HB       LYS   1  -9.645  11.330   2.431
    7   1HG   LYS   1          2HG       LYS   1 -10.617  13.066   0.174
    8   2HG   LYS   1          1HG       LYS   1 -11.626  12.983   1.597
    9   1HD   LYS   1          2HD       LYS   1 -10.077  14.875   1.790
   10   2HD   LYS   1          1HD       LYS   1  -9.710  13.680   3.012
   11   1HE   LYS   1          2HE       LYS   1  -7.794  12.859   1.680
   12   2HE   LYS   1          1HE       LYS   1  -8.187  14.000   0.393
   13   1HZ   LYS   1          1HZ       LYS   1  -6.665  14.406   2.692
   14   2HZ   LYS   1          2HZ       LYS   1  -8.045  15.393   2.814
   15   3HZ   LYS   1          3HZ       LYS   1  -7.029  15.524   1.464
   16    H    THR   2           H        THR   2 -10.374   8.587   0.573
   17    HA   THR   2           HA       THR   2  -8.011   7.329   1.866
   18    HB   THR   2           HB       THR   2  -9.570   5.416   2.366
   19    HG1  THR   2           HG1      THR   2 -11.835   6.518   1.548
   20   1HG2  THR   2          1HG2      THR   2  -9.725   7.485   3.865
   21   2HG2  THR   2          2HG2      THR   2 -11.256   6.635   3.732
   22   3HG2  THR   2          3HG2      THR   2 -10.989   8.108   2.818
   23    H    TYR   3           H        TYR   3  -6.911   5.772   1.082
   24    HA   TYR   3           HA       TYR   3  -7.242   4.867  -1.740
   25   1HB   TYR   3          1HB       TYR   3  -4.719   5.010  -0.084
   26   2HB   TYR   3          2HB       TYR   3  -4.805   4.872  -1.831
   27    HD1  TYR   3           HD1      TYR   3  -6.563   7.065  -2.680
   28    HD2  TYR   3           HD2      TYR   3  -3.829   6.992   0.586
   29    HE1  TYR   3           HE1      TYR   3  -6.404   9.509  -2.741
   30    HE2  TYR   3           HE2      TYR   3  -3.662   9.417   0.509
   31    HH   TYR   3           HH       TYR   3  -4.253  11.282  -0.548
   32    H    GLN   4           H        GLN   4  -6.207   2.575  -1.987
   33    HA   GLN   4           HA       GLN   4  -6.588   0.985   0.521
   34   1HB   GLN   4          1HB       GLN   4  -8.622   0.844  -0.942
   35   2HB   GLN   4          2HB       GLN   4  -7.630   0.173  -2.216
   36   1HG   GLN   4          2HG       GLN   4  -8.665  -1.700  -1.021
   37   2HG   GLN   4          1HG       GLN   4  -6.968  -1.719  -0.617
   38   1HE2  GLN   4          2HE2      GLN   4  -6.720  -2.142   1.619
   39   2HE2  GLN   4          1HE2      GLN   4  -7.768  -1.533   2.810
   40    H    CYS   5           H        CYS   5  -5.085  -0.329   0.993
   41    HA   CYS   5           HA       CYS   5  -2.603  -0.645  -0.057
   42   1HB   CYS   5          1HB       CYS   5  -3.116  -1.435   2.092
   43   2HB   CYS   5          2HB       CYS   5  -4.317  -2.590   1.501
   44    H    GLN   6           H        GLN   6  -4.946  -3.183  -0.457
   45    HA   GLN   6           HA       GLN   6  -5.615  -4.256  -2.513
   46   1HB   GLN   6          1HB       GLN   6  -2.702  -3.831  -3.412
   47   2HB   GLN   6          2HB       GLN   6  -3.872  -4.788  -4.271
   48   1HG   GLN   6          2HG       GLN   6  -5.368  -2.888  -4.599
   49   2HG   GLN   6          1HG       GLN   6  -4.308  -1.820  -3.706
   50   1HE2  GLN   6          2HE2      GLN   6  -2.856  -0.685  -4.978
   51   2HE2  GLN   6          1HE2      GLN   6  -2.342  -1.153  -6.527
   52    H    TYR   7           H        TYR   7  -3.657  -4.913  -0.025
   53    HA   TYR   7           HA       TYR   7  -3.406  -7.824  -0.706
   54   1HB   TYR   7          1HB       TYR   7  -1.655  -6.118   1.133
   55   2HB   TYR   7          2HB       TYR   7  -1.449  -7.836   0.872
   56    HD1  TYR   7           HD1      TYR   7  -1.323  -8.544  -1.717
   57    HD2  TYR   7           HD2      TYR   7  -0.422  -4.656  -0.244
   58    HE1  TYR   7           HE1      TYR   7  -0.025  -8.082  -3.736
   59    HE2  TYR   7           HE2      TYR   7   0.871  -4.196  -2.268
   60    HH   TYR   7           HH       TYR   7   1.186  -6.609  -4.847
   61    H    CYS   8           H        CYS   8  -3.627  -5.540   1.953
   62    HA   CYS   8           HA       CYS   8  -5.490  -7.387   3.415
   63   1HB   CYS   8          1HB       CYS   8  -4.747  -6.296   5.474
   64   2HB   CYS   8          2HB       CYS   8  -3.338  -6.896   4.623
   65    H    GLU   9           H        GLU   9  -6.518  -5.609   5.131
   66    HA   GLU   9           HA       GLU   9  -7.964  -3.704   3.298
   67   1HB   GLU   9          1HB       GLU   9  -9.253  -5.546   4.682
   68   2HB   GLU   9          2HB       GLU   9  -8.979  -4.518   6.072
   69   1HG   GLU   9          2HG       GLU   9 -10.404  -3.709   3.478
   70   2HG   GLU   9          1HG       GLU   9 -11.173  -3.979   5.027
   71    H    PHE  10           H        PHE  10  -5.893  -2.629   3.578
   72    HA   PHE  10           HA       PHE  10  -5.836  -0.897   6.024
   73   1HB   PHE  10          1HB       PHE  10  -3.758  -2.190   5.734
   74   2HB   PHE  10          2HB       PHE  10  -3.542  -1.608   4.091
   75    HD1  PHE  10           HD1      PHE  10  -3.774  -0.516   7.658
   76    HD2  PHE  10           HD2      PHE  10  -2.463   0.524   3.750
   77    HE1  PHE  10           HE1      PHE  10  -2.641   1.460   8.562
   78    HE2  PHE  10           HE2      PHE  10  -1.335   2.539   4.672
   79    HZ   PHE  10           HZ       PHE  10  -1.424   2.993   7.055
   80    H    ARG  11           H        ARG  11  -7.043   0.647   5.456
   81    HA   ARG  11           HA       ARG  11  -6.691   1.991   2.802
   82   1HB   ARG  11          1HB       ARG  11  -9.018   2.770   3.022
   83   2HB   ARG  11          2HB       ARG  11  -8.970   1.032   3.153
   84   1HG   ARG  11          2HG       ARG  11  -9.025   1.318   5.715
   85   2HG   ARG  11          1HG       ARG  11  -9.355   3.021   5.421
   86   1HD   ARG  11          2HD       ARG  11 -11.082   0.723   4.464
   87   2HD   ARG  11          1HD       ARG  11 -11.480   1.879   5.722
   88    HE   ARG  11           HE       ARG  11 -11.452   3.666   3.966
   89   1HH1  ARG  11          2HH2      ARG  11 -12.545   0.500   3.380
   90   2HH1  ARG  11          1HH2      ARG  11 -12.909   0.771   1.711
   91   1HH2  ARG  11          2HH1      ARG  11 -11.572   3.984   1.631
   92   2HH2  ARG  11          1HH1      ARG  11 -12.345   2.729   0.742
   93    H    SER  12           H        SER  12  -5.583   3.708   3.009
   94    HA   SER  12           HA       SER  12  -5.722   5.333   5.527
   95   1HB   SER  12          2HB       SER  12  -3.280   4.540   3.871
   96   2HB   SER  12          1HB       SER  12  -3.117   5.458   5.319
   97    HG   SER  12           HG       SER  12  -3.798   2.833   5.062
   98    H    ALA  13           H        ALA  13  -5.070   7.566   5.188
   99    HA   ALA  13           HA       ALA  13  -5.689   8.531   2.414
  100   1HB   ALA  13          1HB       ALA  13  -7.568   8.917   4.025
  101   2HB   ALA  13          2HB       ALA  13  -6.863  10.451   3.541
  102   3HB   ALA  13          3HB       ALA  13  -6.476   9.759   5.110
  103    H    ASP  14           H        ASP  14  -3.172   7.889   3.119
  104    HA   ASP  14           HA       ASP  14  -1.874  10.565   3.491
  105   1HB   ASP  14          1HB       ASP  14  -1.739   8.477   5.279
  106   2HB   ASP  14          2HB       ASP  14  -0.338   8.115   4.295
  107    H    SER  15           H        SER  15  -1.076   7.309   2.300
  108    HA   SER  15           HA       SER  15   0.465   6.647   0.656
  109   1HB   SER  15          2HB       SER  15  -1.704   8.257  -0.713
  110   2HB   SER  15          1HB       SER  15  -0.577   7.256  -1.627
  111    HG   SER  15           HG       SER  15  -1.576   5.572  -0.908
  112    H    SER  16           H        SER  16   3.034   9.122   0.104
  113    HA   SER  16           HA       SER  16   2.575   6.545   1.238
  114   1HB   SER  16          2HB       SER  16   4.604   8.759   1.709
  115   2HB   SER  16          1HB       SER  16   4.675   7.277   2.663
  116    HG   SER  16           HG       SER  16   5.410   6.321   0.998
  117    H    ASN  17           H        ASN  17   1.476   7.323   4.637
  118    HA   ASN  17           HA       ASN  17   3.468   5.736   3.186
  119   1HB   ASN  17          1HB       ASN  17   2.528   5.652   6.077
  120   2HB   ASN  17          2HB       ASN  17   3.837   4.679   5.418
  121   1HD2  ASN  17          2HD2      ASN  17   3.155   7.614   6.955
  122   2HD2  ASN  17          1HD2      ASN  17   4.606   8.422   6.607
  123    H    LEU  18           H        LEU  18   1.524   5.270   1.824
  124    HA   LEU  18           HA       LEU  18   0.141   2.776   2.729
  125   1HB   LEU  18          1HB       LEU  18  -1.330   4.533   1.631
  126   2HB   LEU  18          2HB       LEU  18  -0.296   4.436   0.202
  127    HG   LEU  18           HG       LEU  18  -0.954   2.104  -0.219
  128   1HD1  LEU  18          1HD1      LEU  18  -2.640   0.977   1.260
  129   2HD1  LEU  18          2HD1      LEU  18  -2.572   2.333   2.363
  130   3HD1  LEU  18          3HD1      LEU  18  -1.162   1.307   2.128
  131   1HD2  LEU  18          1HD2      LEU  18  -2.524   3.869  -1.021
  132   2HD2  LEU  18          2HD2      LEU  18  -3.364   3.757   0.522
  133   3HD2  LEU  18          3HD2      LEU  18  -3.388   2.403  -0.594
  134    H    LYS  19           H        LYS  19   2.231   4.237   0.389
  135    HA   LYS  19           HA       LYS  19   2.817   1.726  -1.023
  136   1HB   LYS  19          1HB       LYS  19   4.195   4.490  -1.039
  137   2HB   LYS  19          2HB       LYS  19   4.527   3.225  -2.208
  138   1HG   LYS  19          2HG       LYS  19   1.773   4.499  -1.822
  139   2HG   LYS  19          1HG       LYS  19   2.927   5.029  -3.028
  140   1HD   LYS  19          2HD       LYS  19   2.881   2.769  -4.075
  141   2HD   LYS  19          1HD       LYS  19   1.778   2.193  -2.841
  142   1HE   LYS  19          2HE       LYS  19   0.534   2.782  -4.891
  143   2HE   LYS  19          1HE       LYS  19   0.075   3.853  -3.575
  144   1HZ   LYS  19          1HZ       LYS  19   2.267   4.985  -4.886
  145   2HZ   LYS  19          2HZ       LYS  19   0.670   5.555  -4.802
  146   3HZ   LYS  19          3HZ       LYS  19   1.133   4.524  -6.062
  147    H    THR  20           H        THR  20   3.921   3.748   1.544
  148    HA   THR  20           HA       THR  20   6.357   2.178   2.075
  149    HB   THR  20           HB       THR  20   4.948   4.508   3.414
  150    HG1  THR  20           HG1      THR  20   5.961   5.419   1.767
  151   1HG2  THR  20          1HG2      THR  20   6.482   3.360   5.091
  152   2HG2  THR  20          2HG2      THR  20   7.098   4.915   4.608
  153   3HG2  THR  20          3HG2      THR  20   7.776   3.456   3.903
  154    H    HIS  21           H        HIS  21   3.350   1.605   2.403
  155    HA   HIS  21           HA       HIS  21   3.436   0.149   5.031
  156   1HB   HIS  21          1HB       HIS  21   1.286   1.350   4.842
  157   2HB   HIS  21          2HB       HIS  21   1.125   0.974   3.146
  158    HD1  HIS  21           HD1      HIS  21   0.889  -0.775   6.453
  159    HD2  HIS  21           HD2      HIS  21  -0.102  -1.393   2.541
  160    HE1  HIS  21           HE1      HIS  21  -0.482  -2.831   6.402
  161    H    ILE  22           H        ILE  22   2.228  -0.365   1.648
  162    HA   ILE  22           HA       ILE  22   2.378  -3.105   1.522
  163    HB   ILE  22           HB       ILE  22   3.202  -1.033  -0.578
  164   1HG1  ILE  22          2HG1      ILE  22   0.617  -2.612  -0.137
  165   2HG1  ILE  22          1HG1      ILE  22   0.831  -0.950   0.352
  166   1HG2  ILE  22          1HG2      ILE  22   2.852  -2.875  -2.261
  167   2HG2  ILE  22          2HG2      ILE  22   2.586  -4.010  -0.947
  168   3HG2  ILE  22          3HG2      ILE  22   4.156  -3.265  -1.162
  169   1HD1  ILE  22          1HD       ILE  22  -0.377  -1.039  -1.762
  170   2HD1  ILE  22          2HD       ILE  22   0.911  -1.952  -2.522
  171   3HD1  ILE  22          3HD       ILE  22   1.184  -0.289  -2.024
  172    H    LYS  23           H        LYS  23   4.999  -0.829   1.056
  173    HA   LYS  23           HA       LYS  23   7.102  -2.885   1.394
  174   1HB   LYS  23          1HB       LYS  23   7.454  -1.690  -0.576
  175   2HB   LYS  23          2HB       LYS  23   6.998  -0.151   0.105
  176   1HG   LYS  23          2HG       LYS  23   9.125  -0.462   1.638
  177   2HG   LYS  23          1HG       LYS  23   9.542  -1.788   0.583
  178   1HD   LYS  23          2HD       LYS  23  10.724   0.224  -0.154
  179   2HD   LYS  23          1HD       LYS  23   9.533  -0.202  -1.365
  180   1HE   LYS  23          2HE       LYS  23   9.537   2.254  -0.893
  181   2HE   LYS  23          1HE       LYS  23   7.987   1.549  -0.495
  182   1HZ   LYS  23          1HZ       LYS  23   8.209   2.291   1.547
  183   2HZ   LYS  23          2HZ       LYS  23   9.720   2.961   1.166
  184   3HZ   LYS  23          3HZ       LYS  23   9.625   1.379   1.764
  185    H    THR  24           H        THR  24   7.440  -1.201   4.602
  186    HA   THR  24           HA       THR  24   7.379  -3.746   3.028
  187    HB   THR  24           HB       THR  24   9.552  -3.025   3.246
  188    HG1  THR  24           HG1      THR  24   9.683  -4.917   5.218
  189   1HG2  THR  24          1HG2      THR  24  10.718  -2.780   5.475
  190   2HG2  THR  24          2HG2      THR  24   9.206  -3.068   6.316
  191   3HG2  THR  24          3HG2      THR  24   9.422  -1.604   5.369
  192    H    LYS  25           H        LYS  25   5.244  -3.646   3.921
  193    HA   LYS  25           HA       LYS  25   4.975  -5.041   6.566
  194   1HB   LYS  25          1HB       LYS  25   2.971  -3.546   4.812
  195   2HB   LYS  25          2HB       LYS  25   2.419  -4.647   6.047
  196   1HG   LYS  25          2HG       LYS  25   2.586  -2.186   6.733
  197   2HG   LYS  25          1HG       LYS  25   3.334  -3.340   7.814
  198   1HD   LYS  25          2HD       LYS  25   5.538  -2.759   7.073
  199   2HD   LYS  25          1HD       LYS  25   4.964  -1.870   5.686
  200   1HE   LYS  25          2HE       LYS  25   3.906  -0.216   7.262
  201   2HE   LYS  25          1HE       LYS  25   4.646  -1.098   8.596
  202   1HZ   LYS  25          1HZ       LYS  25   6.492   0.010   8.239
  203   2HZ   LYS  25          2HZ       LYS  25   5.816   0.787   6.881
  204   3HZ   LYS  25          3HZ       LYS  25   6.617  -0.686   6.696
  205    H    HIS  26           H        HIS  26   4.439  -5.287   3.134
  206    HA   HIS  26           HA       HIS  26   3.653  -8.151   3.375
  207   1HB   HIS  26          1HB       HIS  26   3.082  -6.146   1.150
  208   2HB   HIS  26          2HB       HIS  26   2.563  -7.827   1.158
  209    HD1  HIS  26           HD1      HIS  26   1.177  -8.243   3.642
  210    HD2  HIS  26           HD2      HIS  26   1.028  -4.524   1.952
  211    HE1  HIS  26           HE1      HIS  26  -0.806  -7.116   4.596
  212    H    SER  27           H        SER  27   5.301  -5.841   1.418
  213    HA   SER  27           HA       SER  27   7.350  -7.821   0.492
  214   1HB   SER  27          2HB       SER  27   7.406  -6.396  -1.631
  215   2HB   SER  27          1HB       SER  27   5.829  -7.155  -1.370
  216    HG   SER  27           HG       SER  27   6.487  -4.541  -1.338
  217    H    LYS  28           H        LYS  28   9.432  -5.692   2.350
  218    HA   LYS  28           HA       LYS  28   8.195  -8.381   2.077
  219   1HB   LYS  28          1HB       LYS  28  10.130  -9.183   3.335
  220   2HB   LYS  28          2HB       LYS  28  10.656  -8.285   1.942
  221   1HG   LYS  28          2HG       LYS  28  10.458  -6.878   4.624
  222   2HG   LYS  28          1HG       LYS  28  11.809  -7.924   4.276
  223   1HD   LYS  28          2HD       LYS  28  12.416  -6.574   2.296
  224   2HD   LYS  28          1HD       LYS  28  11.070  -5.494   2.537
  225   1HE   LYS  28          2HE       LYS  28  13.062  -4.475   3.470
  226   2HE   LYS  28          1HE       LYS  28  11.970  -4.868   4.785
  227   1HZ   LYS  28          1HZ       LYS  28  14.592  -5.690   4.434
  228   2HZ   LYS  28          2HZ       LYS  28  13.618  -7.078   4.309
  229   3HZ   LYS  28          3HZ       LYS  28  13.522  -6.097   5.688
  230    H    GLU  29           H        GLU  29   8.830  -9.189   4.726
  231    HA   GLU  29           HA       GLU  29   6.843  -7.566   6.274
  232   1HB   GLU  29          1HB       GLU  29   6.036  -9.834   5.513
  233   2HB   GLU  29          2HB       GLU  29   7.306 -10.581   6.454
  234   1HG   GLU  29          2HG       GLU  29   5.129  -8.759   7.598
  235   2HG   GLU  29          1HG       GLU  29   5.068 -10.511   7.633
  236    H    LYS  30           H        LYS  30   8.157  -6.333   7.454
  237    HA   LYS  30           HA       LYS  30  10.064  -7.679   9.337
  238   1HB   LYS  30          1HB       LYS  30  11.317  -6.259   7.781
  239   2HB   LYS  30          2HB       LYS  30  10.215  -4.920   8.037
  240   1HG   LYS  30          2HG       LYS  30  10.942  -4.702  10.376
  241   2HG   LYS  30          1HG       LYS  30  11.922  -6.148  10.267
  242   1HD   LYS  30          2HD       LYS  30  13.362  -5.051   8.558
  243   2HD   LYS  30          1HD       LYS  30  12.354  -3.612   8.621
  244   1HE   LYS  30          2HE       LYS  30  13.924  -4.746  10.977
  245   2HE   LYS  30          1HE       LYS  30  14.424  -3.372  10.004
  246   1HZ   LYS  30          1HZ       LYS  30  12.727  -3.405  12.201
  247   2HZ   LYS  30          2HZ       LYS  30  11.807  -2.931  10.856
  248   3HZ   LYS  30          3HZ       LYS  30  13.215  -2.074  11.265
  Start of MODEL   11
    1   1H    LYS   1          1H        LYS   1  -6.058  11.609  -1.181
    2   2H    LYS   1          2H        LYS   1  -5.990  10.837   0.315
    3   3H    LYS   1          3H        LYS   1  -6.110  12.533   0.261
    4    HA   LYS   1           HA       LYS   1  -8.306  12.324   0.387
    5   1HB   LYS   1          2HB       LYS   1  -7.787  10.907  -2.255
    6   2HB   LYS   1          1HB       LYS   1  -9.403  11.334  -1.724
    7   1HG   LYS   1          2HG       LYS   1  -8.973  13.666  -1.800
    8   2HG   LYS   1          1HG       LYS   1  -7.240  13.452  -1.832
    9   1HD   LYS   1          2HD       LYS   1  -8.352  14.157  -4.034
   10   2HD   LYS   1          1HD       LYS   1  -7.227  12.821  -4.126
   11   1HE   LYS   1          2HE       LYS   1 -10.211  12.310  -3.799
   12   2HE   LYS   1          1HE       LYS   1  -9.503  12.584  -5.383
   13   1HZ   LYS   1          1HZ       LYS   1  -8.890  10.490  -5.405
   14   2HZ   LYS   1          2HZ       LYS   1  -9.478  10.248  -3.833
   15   3HZ   LYS   1          3HZ       LYS   1  -7.876  10.764  -4.071
   16    H    THR   2           H        THR   2  -8.682   9.375  -1.319
   17    HA   THR   2           HA       THR   2  -8.575   7.712   1.148
   18    HB   THR   2           HB       THR   2 -10.729   6.639   0.414
   19    HG1  THR   2           HG1      THR   2 -11.423   7.250  -1.476
   20   1HG2  THR   2          1HG2      THR   2 -10.991   9.684   0.859
   21   2HG2  THR   2          2HG2      THR   2 -10.836   8.516   2.161
   22   3HG2  THR   2          3HG2      THR   2 -12.265   8.513   1.144
   23    H    TYR   3           H        TYR   3  -7.311   6.118   0.703
   24    HA   TYR   3           HA       TYR   3  -7.275   4.867  -2.010
   25   1HB   TYR   3          1HB       TYR   3  -4.852   5.461  -0.264
   26   2HB   TYR   3          2HB       TYR   3  -4.795   4.825  -1.900
   27    HD1  TYR   3           HD1      TYR   3  -6.409   6.413  -3.579
   28    HD2  TYR   3           HD2      TYR   3  -4.368   7.739  -0.081
   29    HE1  TYR   3           HE1      TYR   3  -6.511   8.716  -4.390
   30    HE2  TYR   3           HE2      TYR   3  -4.462  10.036  -0.896
   31    HH   TYR   3           HH       TYR   3  -6.211  10.860  -3.880
   32    H    GLN   4           H        GLN   4  -6.110   2.714  -1.939
   33    HA   GLN   4           HA       GLN   4  -6.742   1.208   0.574
   34   1HB   GLN   4          1HB       GLN   4  -8.057   0.950  -1.908
   35   2HB   GLN   4          2HB       GLN   4  -6.926  -0.376  -1.920
   36   1HG   GLN   4          2HG       GLN   4  -9.066   0.137   0.185
   37   2HG   GLN   4          1HG       GLN   4  -9.072  -1.129  -1.015
   38   1HE2  GLN   4          1HE2      GLN   4  -8.023  -3.110  -0.483
   39   2HE2  GLN   4          2HE2      GLN   4  -7.166  -3.348   0.963
   40    H    CYS   5           H        CYS   5  -5.562  -0.869   0.670
   41    HA   CYS   5           HA       CYS   5  -2.731  -0.490   0.070
   42   1HB   CYS   5          1HB       CYS   5  -3.157  -1.316   2.193
   43   2HB   CYS   5          2HB       CYS   5  -4.331  -2.510   1.635
   44    H    GLN   6           H        GLN   6  -4.942  -3.201  -0.474
   45    HA   GLN   6           HA       GLN   6  -5.258  -4.131  -2.753
   46   1HB   GLN   6          1HB       GLN   6  -3.231  -3.048  -3.806
   47   2HB   GLN   6          2HB       GLN   6  -2.183  -4.073  -2.834
   48   1HG   GLN   6          2HG       GLN   6  -3.124  -6.088  -4.000
   49   2HG   GLN   6          1HG       GLN   6  -4.099  -5.014  -5.003
   50   1HE2  GLN   6          1HE2      GLN   6  -1.203  -6.659  -4.908
   51   2HE2  GLN   6          2HE2      GLN   6  -0.315  -5.735  -6.020
   52    H    TYR   7           H        TYR   7  -2.922  -4.843  -0.335
   53    HA   TYR   7           HA       TYR   7  -3.293  -7.780  -0.639
   54   1HB   TYR   7          1HB       TYR   7  -1.354  -6.237   1.127
   55   2HB   TYR   7          2HB       TYR   7  -1.332  -7.969   0.842
   56    HD1  TYR   7           HD1      TYR   7  -1.240  -8.680  -1.730
   57    HD2  TYR   7           HD2      TYR   7  -0.032  -4.862  -0.267
   58    HE1  TYR   7           HE1      TYR   7   0.105  -8.325  -3.745
   59    HE2  TYR   7           HE2      TYR   7   1.309  -4.511  -2.277
   60    HH   TYR   7           HH       TYR   7   2.124  -5.447  -4.149
   61    H    CYS   8           H        CYS   8  -3.372  -5.395   2.010
   62    HA   CYS   8           HA       CYS   8  -5.157  -7.284   3.513
   63   1HB   CYS   8          1HB       CYS   8  -4.279  -6.389   5.543
   64   2HB   CYS   8          2HB       CYS   8  -2.899  -6.702   4.502
   65    H    GLU   9           H        GLU   9  -5.995  -5.559   5.414
   66    HA   GLU   9           HA       GLU   9  -7.966  -3.891   3.923
   67   1HB   GLU   9          1HB       GLU   9  -8.009  -4.814   6.841
   68   2HB   GLU   9          2HB       GLU   9  -9.346  -4.106   5.953
   69   1HG   GLU   9          2HG       GLU   9  -7.995  -6.759   5.242
   70   2HG   GLU   9          1HG       GLU   9  -9.507  -6.617   6.108
   71    H    PHE  10           H        PHE  10  -5.679  -2.724   3.815
   72    HA   PHE  10           HA       PHE  10  -5.652  -0.629   5.954
   73   1HB   PHE  10          1HB       PHE  10  -3.541  -1.883   5.874
   74   2HB   PHE  10          2HB       PHE  10  -3.292  -1.508   4.181
   75    HD1  PHE  10           HD1      PHE  10  -3.230  -0.234   7.615
   76    HD2  PHE  10           HD2      PHE  10  -2.828   0.906   3.529
   77    HE1  PHE  10           HE1      PHE  10  -2.258   1.910   8.309
   78    HE2  PHE  10           HE2      PHE  10  -1.865   3.092   4.255
   79    HZ   PHE  10           HZ       PHE  10  -1.581   3.569   6.611
   80    H    ARG  11           H        ARG  11  -7.093   0.537   5.078
   81    HA   ARG  11           HA       ARG  11  -6.567   1.884   2.456
   82   1HB   ARG  11          1HB       ARG  11  -9.152   2.583   2.887
   83   2HB   ARG  11          2HB       ARG  11  -8.743   1.120   2.046
   84   1HG   ARG  11          2HG       ARG  11  -9.201   1.088   5.046
   85   2HG   ARG  11          1HG       ARG  11 -10.541   1.005   3.919
   86   1HD   ARG  11          2HD       ARG  11  -9.347  -0.942   2.768
   87   2HD   ARG  11          1HD       ARG  11  -8.213  -0.971   4.109
   88    HE   ARG  11           HE       ARG  11 -10.189  -1.426   5.595
   89   1HH1  ARG  11          2HH1      ARG  11  -9.513  -3.259   3.003
   90   2HH1  ARG  11          1HH1      ARG  11 -11.114  -3.849   2.703
   91   1HH2  ARG  11          1HH2      ARG  11 -12.594  -1.563   4.898
   92   2HH2  ARG  11          2HH2      ARG  11 -12.900  -2.866   3.800
   93    H    SER  12           H        SER  12  -5.585   3.671   2.924
   94    HA   SER  12           HA       SER  12  -6.335   5.220   5.369
   95   1HB   SER  12          2HB       SER  12  -3.708   4.721   3.944
   96   2HB   SER  12          1HB       SER  12  -3.757   5.852   5.243
   97    HG   SER  12           HG       SER  12  -4.187   3.120   5.313
   98    H    ALA  13           H        ALA  13  -5.505   7.534   5.149
   99    HA   ALA  13           HA       ALA  13  -6.477   8.647   2.549
  100   1HB   ALA  13          1HB       ALA  13  -8.103   8.996   4.409
  101   2HB   ALA  13          2HB       ALA  13  -7.423  10.535   3.915
  102   3HB   ALA  13          3HB       ALA  13  -6.853   9.757   5.377
  103    H    ASP  14           H        ASP  14  -3.814   8.005   2.971
  104    HA   ASP  14           HA       ASP  14  -2.592  10.743   3.091
  105   1HB   ASP  14          1HB       ASP  14  -1.962   9.334   5.095
  106   2HB   ASP  14          2HB       ASP  14  -1.325   8.137   4.012
  107    H    SER  15           H        SER  15  -1.289   7.616   2.240
  108    HA   SER  15           HA       SER  15  -0.913   6.726   0.032
  109   1HB   SER  15          2HB       SER  15  -1.759   8.849  -1.183
  110   2HB   SER  15          1HB       SER  15  -0.176   9.582  -0.883
  111    HG   SER  15           HG       SER  15  -0.869   7.766  -2.709
  112    H    SER  16           H        SER  16   1.166   9.405   1.252
  113    HA   SER  16           HA       SER  16   3.592   8.199   0.336
  114   1HB   SER  16          2HB       SER  16   4.772   9.748   1.822
  115   2HB   SER  16          1HB       SER  16   3.323  10.608   1.307
  116    HG   SER  16           HG       SER  16   2.705   9.164   3.446
  117    H    ASN  17           H        ASN  17   1.714   7.735   3.311
  118    HA   ASN  17           HA       ASN  17   3.654   5.667   4.211
  119   1HB   ASN  17          1HB       ASN  17   2.381   5.700   6.339
  120   2HB   ASN  17          2HB       ASN  17   2.911   7.310   5.889
  121   1HD2  ASN  17          2HD2      ASN  17   1.333   8.733   6.526
  122   2HD2  ASN  17          1HD2      ASN  17  -0.333   8.530   6.279
  123    H    LEU  18           H        LEU  18   1.678   5.444   1.925
  124    HA   LEU  18           HA       LEU  18   0.127   3.056   2.801
  125   1HB   LEU  18          1HB       LEU  18  -1.195   4.857   1.691
  126   2HB   LEU  18          2HB       LEU  18  -0.080   4.829   0.327
  127    HG   LEU  18           HG       LEU  18  -0.763   2.612  -0.339
  128   1HD1  LEU  18          1HD1      LEU  18  -1.172   1.596   1.920
  129   2HD1  LEU  18          2HD1      LEU  18  -2.557   1.394   0.868
  130   3HD1  LEU  18          3HD1      LEU  18  -2.585   2.631   2.108
  131   1HD2  LEU  18          1HD2      LEU  18  -2.147   4.541  -1.070
  132   2HD2  LEU  18          2HD2      LEU  18  -3.150   4.363   0.363
  133   3HD2  LEU  18          3HD2      LEU  18  -3.143   3.117  -0.872
  134    H    LYS  19           H        LYS  19   2.203   4.408   0.259
  135    HA   LYS  19           HA       LYS  19   2.791   1.807  -0.913
  136   1HB   LYS  19          1HB       LYS  19   4.590   4.288  -1.009
  137   2HB   LYS  19          2HB       LYS  19   4.560   2.962  -2.162
  138   1HG   LYS  19          2HG       LYS  19   2.110   3.611  -2.634
  139   2HG   LYS  19          1HG       LYS  19   2.416   5.069  -1.709
  140   1HD   LYS  19          2HD       LYS  19   4.459   5.419  -3.287
  141   2HD   LYS  19          1HD       LYS  19   3.734   4.170  -4.286
  142   1HE   LYS  19          2HE       LYS  19   2.908   6.278  -5.141
  143   2HE   LYS  19          1HE       LYS  19   1.571   5.558  -4.251
  144   1HZ   LYS  19          1HZ       LYS  19   2.814   8.009  -3.818
  145   2HZ   LYS  19          2HZ       LYS  19   3.144   7.033  -2.471
  146   3HZ   LYS  19          3HZ       LYS  19   1.544   7.339  -2.922
  147    H    THR  20           H        THR  20   4.350   3.925   1.484
  148    HA   THR  20           HA       THR  20   6.603   2.231   1.997
  149    HB   THR  20           HB       THR  20   5.172   4.168   3.941
  150    HG1  THR  20           HG1      THR  20   5.834   5.375   2.334
  151   1HG2  THR  20          1HG2      THR  20   7.011   2.610   4.954
  152   2HG2  THR  20          2HG2      THR  20   7.425   4.316   4.978
  153   3HG2  THR  20          3HG2      THR  20   8.112   3.261   3.752
  154    H    HIS  21           H        HIS  21   3.292   2.383   3.285
  155    HA   HIS  21           HA       HIS  21   3.509   0.417   5.309
  156   1HB   HIS  21          1HB       HIS  21   1.374   1.495   5.237
  157   2HB   HIS  21          2HB       HIS  21   1.185   1.295   3.514
  158    HD1  HIS  21           HD1      HIS  21   1.071  -0.819   6.618
  159    HD2  HIS  21           HD2      HIS  21  -0.098  -0.975   2.704
  160    HE1  HIS  21           HE1      HIS  21  -0.299  -2.870   6.378
  161    H    ILE  22           H        ILE  22   2.441  -0.098   1.926
  162    HA   ILE  22           HA       ILE  22   2.457  -2.886   1.907
  163    HB   ILE  22           HB       ILE  22   3.171  -1.017  -0.432
  164   1HG1  ILE  22          2HG1      ILE  22   0.495  -2.266   0.334
  165   2HG1  ILE  22          1HG1      ILE  22   0.920  -0.639   0.802
  166   1HG2  ILE  22          1HG2      ILE  22   2.214  -3.878  -0.455
  167   2HG2  ILE  22          2HG2      ILE  22   3.828  -3.343  -0.887
  168   3HG2  ILE  22          3HG2      ILE  22   2.469  -2.857  -1.865
  169   1HD1  ILE  22          1HD       ILE  22   0.683  -1.641  -2.057
  170   2HD1  ILE  22          2HD       ILE  22   1.197  -0.023  -1.595
  171   3HD1  ILE  22          3HD       ILE  22  -0.426  -0.571  -1.217
  172    H    LYS  23           H        LYS  23   5.203  -0.747   1.582
  173    HA   LYS  23           HA       LYS  23   7.063  -2.748   0.713
  174   1HB   LYS  23          1HB       LYS  23   7.311  -0.289   0.381
  175   2HB   LYS  23          2HB       LYS  23   7.649  -0.119   2.095
  176   1HG   LYS  23          2HG       LYS  23   9.707  -1.203   1.960
  177   2HG   LYS  23          1HG       LYS  23   9.223  -2.178   0.597
  178   1HD   LYS  23          2HD       LYS  23  10.883  -0.526  -0.142
  179   2HD   LYS  23          1HD       LYS  23   9.343  -0.167  -0.890
  180   1HE   LYS  23          2HE       LYS  23  10.399   1.899  -0.081
  181   2HE   LYS  23          1HE       LYS  23   8.931   1.605   0.834
  182   1HZ   LYS  23          1HZ       LYS  23  10.122   1.595   2.679
  183   2HZ   LYS  23          2HZ       LYS  23  11.534   1.896   1.780
  184   3HZ   LYS  23          3HZ       LYS  23  11.066   0.300   2.106
  185    H    THR  24           H        THR  24   6.469  -1.318   3.860
  186    HA   THR  24           HA       THR  24   8.387  -2.900   5.307
  187    HB   THR  24           HB       THR  24   7.184  -1.871   7.330
  188    HG1  THR  24           HG1      THR  24   5.668  -0.748   5.225
  189   1HG2  THR  24          1HG2      THR  24   8.937  -0.486   6.033
  190   2HG2  THR  24          2HG2      THR  24   7.665   0.502   6.724
  191   3HG2  THR  24          3HG2      THR  24   7.648   0.119   5.011
  192    H    LYS  25           H        LYS  25   4.932  -3.218   4.767
  193    HA   LYS  25           HA       LYS  25   4.742  -5.630   6.439
  194   1HB   LYS  25          1HB       LYS  25   2.699  -3.870   5.045
  195   2HB   LYS  25          2HB       LYS  25   2.228  -5.368   5.822
  196   1HG   LYS  25          2HG       LYS  25   3.668  -3.043   7.184
  197   2HG   LYS  25          1HG       LYS  25   1.941  -3.326   7.271
  198   1HD   LYS  25          2HD       LYS  25   2.386  -5.579   8.329
  199   2HD   LYS  25          1HD       LYS  25   4.104  -5.230   8.317
  200   1HE   LYS  25          2HE       LYS  25   3.171  -4.729  10.522
  201   2HE   LYS  25          1HE       LYS  25   3.716  -3.241   9.764
  202   1HZ   LYS  25          1HZ       LYS  25   1.184  -3.863  10.717
  203   2HZ   LYS  25          2HZ       LYS  25   1.050  -3.710   9.032
  204   3HZ   LYS  25          3HZ       LYS  25   1.691  -2.437   9.952
  205    H    HIS  26           H        HIS  26   4.182  -4.761   3.052
  206    HA   HIS  26           HA       HIS  26   4.046  -7.698   2.432
  207   1HB   HIS  26          1HB       HIS  26   2.949  -5.454   0.723
  208   2HB   HIS  26          2HB       HIS  26   2.576  -7.166   0.605
  209    HD1  HIS  26           HD1      HIS  26   1.528  -7.942   3.211
  210    HD2  HIS  26           HD2      HIS  26   0.895  -4.135   1.883
  211    HE1  HIS  26           HE1      HIS  26  -0.414  -7.075   4.469
  212    H    SER  27           H        SER  27   6.519  -6.329   2.680
  213    HA   SER  27           HA       SER  27   8.573  -6.066   1.630
  214   1HB   SER  27          2HB       SER  27   8.060  -8.465   0.999
  215   2HB   SER  27          1HB       SER  27   7.358  -7.884  -0.517
  216    HG   SER  27           HG       SER  27   9.925  -8.218   0.109
  217    H    LYS  28           H        LYS  28   9.705  -5.420  -0.433
  218    HA   LYS  28           HA       LYS  28   8.291  -3.104  -1.615
  219   1HB   LYS  28          1HB       LYS  28  10.459  -2.287  -2.307
  220   2HB   LYS  28          2HB       LYS  28  10.642  -2.799  -0.668
  221   1HG   LYS  28          2HG       LYS  28  11.514  -4.392  -3.109
  222   2HG   LYS  28          1HG       LYS  28  12.551  -3.408  -2.116
  223   1HD   LYS  28          2HD       LYS  28  11.148  -5.945  -1.164
  224   2HD   LYS  28          1HD       LYS  28  12.811  -5.794  -1.636
  225   1HE   LYS  28          2HE       LYS  28  12.769  -5.729   0.774
  226   2HE   LYS  28          1HE       LYS  28  13.218  -4.136   0.205
  227   1HZ   LYS  28          1HZ       LYS  28  10.428  -4.247   0.466
  228   2HZ   LYS  28          2HZ       LYS  28  11.546  -3.292   1.310
  229   3HZ   LYS  28          3HZ       LYS  28  11.133  -4.834   1.888
  230    H    GLU  29           H        GLU  29   9.402  -2.670  -3.931
  231    HA   GLU  29           HA       GLU  29   8.492  -4.910  -5.681
  232   1HB   GLU  29          1HB       GLU  29   7.239  -2.756  -5.835
  233   2HB   GLU  29          2HB       GLU  29   8.726  -1.907  -6.169
  234   1HG   GLU  29          2HG       GLU  29   7.423  -2.293  -8.242
  235   2HG   GLU  29          1HG       GLU  29   8.975  -3.076  -8.327
  236    H    LYS  30           H        LYS  30   9.631  -5.189  -7.665
  237    HA   LYS  30           HA       LYS  30  12.561  -4.610  -7.521
  238   1HB   LYS  30          1HB       LYS  30  12.901  -6.831  -8.549
  239   2HB   LYS  30          2HB       LYS  30  12.009  -6.960  -7.046
  240   1HG   LYS  30          2HG       LYS  30   9.843  -6.989  -8.447
  241   2HG   LYS  30          1HG       LYS  30  10.856  -7.061  -9.872
  242   1HD   LYS  30          2HD       LYS  30  10.152  -9.313  -9.317
  243   2HD   LYS  30          1HD       LYS  30  11.879  -9.183  -9.049
  244   1HE   LYS  30          2HE       LYS  30  10.740 -10.392  -7.190
  245   2HE   LYS  30          1HE       LYS  30  11.474  -8.917  -6.592
  246   1HZ   LYS  30          1HZ       LYS  30   8.867  -8.353  -7.488
  247   2HZ   LYS  30          2HZ       LYS  30   9.504  -8.236  -5.918
  248   3HZ   LYS  30          3HZ       LYS  30   8.813  -9.694  -6.450
  Start of MODEL   12
    1   1H    LYS   1          1H        LYS   1 -10.108  10.891  -2.531
    2   2H    LYS   1          2H        LYS   1  -9.233   9.439  -2.430
    3   3H    LYS   1          3H        LYS   1  -8.697  10.682  -3.452
    4    HA   LYS   1           HA       LYS   1  -7.464  11.492  -1.865
    5   1HB   LYS   1          2HB       LYS   1  -9.608  12.790  -1.320
    6   2HB   LYS   1          1HB       LYS   1 -10.007  11.567  -0.137
    7   1HG   LYS   1          2HG       LYS   1  -8.946  13.568   0.910
    8   2HG   LYS   1          1HG       LYS   1  -7.991  12.121   1.183
    9   1HD   LYS   1          2HD       LYS   1  -6.396  12.750  -0.544
   10   2HD   LYS   1          1HD       LYS   1  -7.433  14.045  -1.118
   11   1HE   LYS   1          2HE       LYS   1  -6.181  13.954   1.661
   12   2HE   LYS   1          1HE       LYS   1  -5.512  14.838   0.300
   13   1HZ   LYS   1          1HZ       LYS   1  -7.512  15.648   2.059
   14   2HZ   LYS   1          2HZ       LYS   1  -8.218  15.496   0.521
   15   3HZ   LYS   1          3HZ       LYS   1  -6.862  16.492   0.738
   16    H    THR   2           H        THR   2  -9.744   9.110  -0.642
   17    HA   THR   2           HA       THR   2  -7.697   8.015   1.227
   18    HB   THR   2           HB       THR   2  -9.629   6.535   2.012
   19    HG1  THR   2           HG1      THR   2 -11.568   7.876   0.763
   20   1HG2  THR   2          1HG2      THR   2  -9.410   8.862   3.050
   21   2HG2  THR   2          2HG2      THR   2 -11.075   8.317   2.959
   22   3HG2  THR   2          3HG2      THR   2 -10.467   9.484   1.794
   23    H    TYR   3           H        TYR   3  -6.887   6.005   0.924
   24    HA   TYR   3           HA       TYR   3  -7.443   4.595  -1.651
   25   1HB   TYR   3          1HB       TYR   3  -4.797   4.806  -0.238
   26   2HB   TYR   3          2HB       TYR   3  -5.078   4.150  -1.840
   27    HD1  TYR   3           HD1      TYR   3  -6.457   6.040  -3.420
   28    HD2  TYR   3           HD2      TYR   3  -3.881   6.871  -0.144
   29    HE1  TYR   3           HE1      TYR   3  -6.075   8.295  -4.288
   30    HE2  TYR   3           HE2      TYR   3  -3.485   9.132  -1.007
   31    HH   TYR   3           HH       TYR   3  -4.996  10.223  -4.033
   32    H    GLN   4           H        GLN   4  -7.121   2.340  -1.606
   33    HA   GLN   4           HA       GLN   4  -7.142   1.085   1.119
   34   1HB   GLN   4          1HB       GLN   4  -9.381   1.204  -0.316
   35   2HB   GLN   4          2HB       GLN   4  -8.636  -0.052  -1.279
   36   1HG   GLN   4          2HG       GLN   4  -8.981  -0.283   1.747
   37   2HG   GLN   4          1HG       GLN   4 -10.162  -0.871   0.602
   38   1HE2  GLN   4          1HE2      GLN   4  -7.401  -1.742   2.348
   39   2HE2  GLN   4          2HE2      GLN   4  -7.023  -3.162   1.499
   40    H    CYS   5           H        CYS   5  -5.895  -0.693   1.288
   41    HA   CYS   5           HA       CYS   5  -3.718  -1.052  -0.591
   42   1HB   CYS   5          1HB       CYS   5  -3.411  -1.093   1.810
   43   2HB   CYS   5          2HB       CYS   5  -4.502  -2.474   1.960
   44    H    GLN   6           H        GLN   6  -3.202  -2.851  -1.814
   45    HA   GLN   6           HA       GLN   6  -5.465  -4.719  -2.410
   46   1HB   GLN   6          1HB       GLN   6  -4.282  -5.020  -4.625
   47   2HB   GLN   6          2HB       GLN   6  -4.851  -3.391  -4.331
   48   1HG   GLN   6          2HG       GLN   6  -2.568  -2.671  -3.661
   49   2HG   GLN   6          1HG       GLN   6  -1.990  -4.323  -3.841
   50   1HE2  GLN   6          1HE2      GLN   6  -0.541  -3.991  -5.607
   51   2HE2  GLN   6          2HE2      GLN   6  -1.079  -3.495  -7.134
   52    H    TYR   7           H        TYR   7  -3.719  -5.078  -0.240
   53    HA   TYR   7           HA       TYR   7  -2.565  -7.761  -0.863
   54   1HB   TYR   7          1HB       TYR   7  -1.335  -5.610   0.930
   55   2HB   TYR   7          2HB       TYR   7  -0.633  -7.189   0.610
   56    HD1  TYR   7           HD1      TYR   7  -0.461  -7.739  -2.048
   57    HD2  TYR   7           HD2      TYR   7  -0.547  -3.823  -0.386
   58    HE1  TYR   7           HE1      TYR   7   0.571  -6.851  -4.079
   59    HE2  TYR   7           HE2      TYR   7   0.492  -2.936  -2.420
   60    HH   TYR   7           HH       TYR   7   1.154  -3.392  -4.505
   61    H    CYS   8           H        CYS   8  -3.407  -5.446   1.644
   62    HA   CYS   8           HA       CYS   8  -4.960  -7.542   3.129
   63   1HB   CYS   8          1HB       CYS   8  -4.337  -6.525   5.218
   64   2HB   CYS   8          2HB       CYS   8  -2.842  -6.770   4.334
   65    H    GLU   9           H        GLU   9  -6.136  -5.879   4.900
   66    HA   GLU   9           HA       GLU   9  -7.747  -4.078   3.121
   67   1HB   GLU   9          1HB       GLU   9  -8.933  -6.098   4.216
   68   2HB   GLU   9          2HB       GLU   9  -8.660  -5.323   5.764
   69   1HG   GLU   9          2HG       GLU   9 -10.921  -4.759   4.874
   70   2HG   GLU   9          1HG       GLU   9  -9.941  -3.318   5.020
   71    H    PHE  10           H        PHE  10  -5.764  -2.877   3.593
   72    HA   PHE  10           HA       PHE  10  -5.953  -1.202   6.063
   73   1HB   PHE  10          1HB       PHE  10  -3.771  -2.252   5.860
   74   2HB   PHE  10          2HB       PHE  10  -3.592  -1.744   4.184
   75    HD1  PHE  10           HD1      PHE  10  -3.487  -0.664   7.705
   76    HD2  PHE  10           HD2      PHE  10  -3.017   0.625   3.667
   77    HE1  PHE  10           HE1      PHE  10  -2.441   1.418   8.481
   78    HE2  PHE  10           HE2      PHE  10  -1.973   2.718   4.476
   79    HZ   PHE  10           HZ       PHE  10  -1.694   3.116   6.839
   80    H    ARG  11           H        ARG  11  -7.034   0.579   5.664
   81    HA   ARG  11           HA       ARG  11  -6.603   1.967   3.039
   82   1HB   ARG  11          1HB       ARG  11  -8.860   2.978   3.371
   83   2HB   ARG  11          2HB       ARG  11  -8.932   1.253   3.094
   84   1HG   ARG  11          2HG       ARG  11  -9.228   0.896   5.552
   85   2HG   ARG  11          1HG       ARG  11  -9.202   2.633   5.804
   86   1HD   ARG  11          2HD       ARG  11 -11.223   1.154   4.059
   87   2HD   ARG  11          1HD       ARG  11 -11.545   1.824   5.653
   88    HE   ARG  11           HE       ARG  11 -11.017   4.092   4.650
   89   1HH1  ARG  11          2HH2      ARG  11 -10.041   3.041   1.993
   90   2HH1  ARG  11          1HH2      ARG  11 -11.426   3.296   0.991
   91   1HH2  ARG  11          1HH1      ARG  11 -13.588   3.721   3.706
   92   2HH2  ARG  11          2HH1      ARG  11 -13.481   3.689   1.975
   93    H    SER  12           H        SER  12  -5.902   3.907   3.136
   94    HA   SER  12           HA       SER  12  -6.008   5.497   5.645
   95   1HB   SER  12          2HB       SER  12  -3.516   4.535   4.160
   96   2HB   SER  12          1HB       SER  12  -3.339   5.778   5.339
   97    HG   SER  12           HG       SER  12  -3.646   4.385   6.860
   98    H    ALA  13           H        ALA  13  -5.130   7.782   5.133
   99    HA   ALA  13           HA       ALA  13  -6.076   8.546   2.380
  100   1HB   ALA  13          1HB       ALA  13  -6.754  10.707   3.431
  101   2HB   ALA  13          2HB       ALA  13  -6.132  10.157   4.981
  102   3HB   ALA  13          3HB       ALA  13  -7.525   9.366   4.258
  103    H    ASP  14           H        ASP  14  -3.573   7.623   2.755
  104    HA   ASP  14           HA       ASP  14  -1.988  10.063   2.203
  105   1HB   ASP  14          1HB       ASP  14  -1.758   8.781   4.653
  106   2HB   ASP  14          2HB       ASP  14  -0.607   7.851   3.723
  107    H    SER  15           H        SER  15   0.059   9.590   1.196
  108    HA   SER  15           HA       SER  15  -0.036   7.285  -0.713
  109   1HB   SER  15          2HB       SER  15  -0.286   9.253  -2.100
  110   2HB   SER  15          1HB       SER  15   0.705  10.250  -1.040
  111    HG   SER  15           HG       SER  15   2.506   9.127  -1.729
  112    H    SER  16           H        SER  16   1.851   9.555   1.050
  113    HA   SER  16           HA       SER  16   4.027   7.556   1.541
  114   1HB   SER  16          2HB       SER  16   4.232  10.653   1.442
  115   2HB   SER  16          1HB       SER  16   5.588   9.516   1.521
  116    HG   SER  16           HG       SER  16   5.432   9.318  -0.548
  117    H    ASN  17           H        ASN  17   2.532   8.159   4.816
  118    HA   ASN  17           HA       ASN  17   4.299   6.482   3.179
  119   1HB   ASN  17          1HB       ASN  17   3.516   6.537   6.072
  120   2HB   ASN  17          2HB       ASN  17   4.533   5.270   5.430
  121   1HD2  ASN  17          1HD2      ASN  17   4.707   8.208   6.937
  122   2HD2  ASN  17          2HD2      ASN  17   6.220   8.730   6.374
  123    H    LEU  18           H        LEU  18   1.868   6.239   1.974
  124    HA   LEU  18           HA       LEU  18   0.610   3.743   3.013
  125   1HB   LEU  18          1HB       LEU  18  -0.923   5.293   1.948
  126   2HB   LEU  18          2HB       LEU  18   0.080   5.407   0.503
  127    HG   LEU  18           HG       LEU  18  -0.407   3.029  -0.048
  128   1HD1  LEU  18          1HD1      LEU  18  -0.712   2.121   2.294
  129   2HD1  LEU  18          2HD1      LEU  18  -2.065   1.713   1.261
  130   3HD1  LEU  18          3HD1      LEU  18  -2.214   3.023   2.419
  131   1HD2  LEU  18          1HD2      LEU  18  -1.964   4.771  -0.869
  132   2HD2  LEU  18          2HD2      LEU  18  -2.905   4.618   0.607
  133   3HD2  LEU  18          3HD2      LEU  18  -2.828   3.281  -0.535
  134    H    LYS  19           H        LYS  19   2.650   4.865   0.357
  135    HA   LYS  19           HA       LYS  19   2.987   2.304  -0.924
  136   1HB   LYS  19          1HB       LYS  19   3.585   4.611  -1.942
  137   2HB   LYS  19          2HB       LYS  19   4.898   4.713  -0.801
  138   1HG   LYS  19          2HG       LYS  19   5.774   3.942  -2.959
  139   2HG   LYS  19          1HG       LYS  19   5.940   2.667  -1.776
  140   1HD   LYS  19          2HD       LYS  19   5.112   1.774  -3.927
  141   2HD   LYS  19          1HD       LYS  19   3.915   1.532  -2.678
  142   1HE   LYS  19          2HE       LYS  19   2.640   3.512  -3.490
  143   2HE   LYS  19          1HE       LYS  19   3.885   3.836  -4.688
  144   1HZ   LYS  19          1HZ       LYS  19   3.106   1.174  -4.942
  145   2HZ   LYS  19          2HZ       LYS  19   2.871   2.453  -6.036
  146   3HZ   LYS  19          3HZ       LYS  19   1.696   2.119  -4.856
  147    H    THR  20           H        THR  20   4.588   4.095   1.608
  148    HA   THR  20           HA       THR  20   6.704   2.226   2.097
  149    HB   THR  20           HB       THR  20   5.286   4.120   4.050
  150    HG1  THR  20           HG1      THR  20   6.461   5.585   3.081
  151   1HG2  THR  20          1HG2      THR  20   8.154   2.996   4.069
  152   2HG2  THR  20          2HG2      THR  20   6.896   2.437   5.159
  153   3HG2  THR  20          3HG2      THR  20   7.469   4.090   5.261
  154    H    HIS  21           H        HIS  21   3.340   2.468   3.236
  155    HA   HIS  21           HA       HIS  21   3.405   0.361   5.151
  156   1HB   HIS  21          1HB       HIS  21   1.339   1.629   5.065
  157   2HB   HIS  21          2HB       HIS  21   1.140   1.427   3.349
  158    HD1  HIS  21           HD1      HIS  21   0.679  -0.502   6.494
  159    HD2  HIS  21           HD2      HIS  21  -0.069  -0.924   2.503
  160    HE1  HIS  21           HE1      HIS  21  -0.756  -2.502   6.270
  161    H    ILE  22           H        ILE  22   2.389   0.215   1.726
  162    HA   ILE  22           HA       ILE  22   2.172  -2.480   1.287
  163    HB   ILE  22           HB       ILE  22   3.404  -0.350  -0.535
  164   1HG1  ILE  22          2HG1      ILE  22   0.634  -1.621  -0.431
  165   2HG1  ILE  22          1HG1      ILE  22   1.027  -0.065   0.254
  166   1HG2  ILE  22          1HG2      ILE  22   3.004  -1.920  -2.420
  167   2HG2  ILE  22          2HG2      ILE  22   2.521  -3.166  -1.284
  168   3HG2  ILE  22          3HG2      ILE  22   4.173  -2.581  -1.307
  169   1HD1  ILE  22          1HD       ILE  22  -0.007   0.214  -1.963
  170   2HD1  ILE  22          2HD       ILE  22   1.251  -0.744  -2.710
  171   3HD1  ILE  22          3HD       ILE  22   1.642   0.807  -1.979
  172    H    LYS  23           H        LYS  23   5.260  -0.738   1.166
  173    HA   LYS  23           HA       LYS  23   6.878  -3.042   0.692
  174   1HB   LYS  23          1HB       LYS  23   7.425  -0.294   1.804
  175   2HB   LYS  23          2HB       LYS  23   8.694  -1.503   1.815
  176   1HG   LYS  23          2HG       LYS  23   8.575  -1.757  -0.600
  177   2HG   LYS  23          1HG       LYS  23   7.148  -0.742  -0.690
  178   1HD   LYS  23          2HD       LYS  23   9.316   0.417  -1.335
  179   2HD   LYS  23          1HD       LYS  23   8.377   1.235  -0.102
  180   1HE   LYS  23          2HE       LYS  23  10.849   1.149   0.385
  181   2HE   LYS  23          1HE       LYS  23   9.873   0.451   1.663
  182   1HZ   LYS  23          1HZ       LYS  23  11.936  -0.728   0.238
  183   2HZ   LYS  23          2HZ       LYS  23  10.517  -1.554  -0.200
  184   3HZ   LYS  23          3HZ       LYS  23  10.956  -1.428   1.434
  185    H    THR  24           H        THR  24   6.632  -1.246   3.686
  186    HA   THR  24           HA       THR  24   8.026  -2.920   5.404
  187    HB   THR  24           HB       THR  24   5.740  -1.008   6.105
  188    HG1  THR  24           HG1      THR  24   7.122   0.078   4.951
  189   1HG2  THR  24          1HG2      THR  24   6.747  -2.378   8.064
  190   2HG2  THR  24          2HG2      THR  24   7.087  -0.661   8.167
  191   3HG2  THR  24          3HG2      THR  24   8.325  -1.765   7.594
  192    H    LYS  25           H        LYS  25   4.621  -3.047   4.668
  193    HA   LYS  25           HA       LYS  25   4.138  -5.210   6.613
  194   1HB   LYS  25          1HB       LYS  25   2.256  -3.666   4.788
  195   2HB   LYS  25          2HB       LYS  25   1.739  -4.790   6.033
  196   1HG   LYS  25          2HG       LYS  25   3.227  -2.147   6.423
  197   2HG   LYS  25          1HG       LYS  25   1.567  -2.487   6.852
  198   1HD   LYS  25          2HD       LYS  25   2.376  -4.224   8.495
  199   2HD   LYS  25          1HD       LYS  25   4.017  -3.692   8.172
  200   1HE   LYS  25          2HE       LYS  25   3.170  -2.538  10.163
  201   2HE   LYS  25          1HE       LYS  25   3.391  -1.370   8.871
  202   1HZ   LYS  25          1HZ       LYS  25   0.803  -2.438   8.695
  203   2HZ   LYS  25          2HZ       LYS  25   1.274  -0.841   9.016
  204   3HZ   LYS  25          3HZ       LYS  25   1.080  -1.941  10.294
  205    H    HIS  26           H        HIS  26   4.059  -4.622   3.150
  206    HA   HIS  26           HA       HIS  26   3.680  -7.563   2.716
  207   1HB   HIS  26          1HB       HIS  26   2.962  -5.327   0.745
  208   2HB   HIS  26          2HB       HIS  26   2.573  -7.021   0.629
  209    HD1  HIS  26           HD1      HIS  26   1.174  -7.807   2.956
  210    HD2  HIS  26           HD2      HIS  26   0.943  -3.878   1.870
  211    HE1  HIS  26           HE1      HIS  26  -0.819  -6.891   4.082
  212    H    SER  27           H        SER  27   5.959  -7.468   3.223
  213    HA   SER  27           HA       SER  27   7.771  -6.612   1.029
  214   1HB   SER  27          2HB       SER  27   9.587  -7.358   2.645
  215   2HB   SER  27          1HB       SER  27   8.488  -6.232   3.447
  216    HG   SER  27           HG       SER  27   7.463  -8.697   3.583
  217    H    LYS  28           H        LYS  28   9.617  -8.644   0.981
  218    HA   LYS  28           HA       LYS  28   8.002 -11.008   0.094
  219   1HB   LYS  28          1HB       LYS  28  10.682 -10.144  -1.030
  220   2HB   LYS  28          2HB       LYS  28   9.608 -11.384  -1.657
  221   1HG   LYS  28          2HG       LYS  28   7.869  -9.639  -2.116
  222   2HG   LYS  28          1HG       LYS  28   8.980  -8.401  -1.538
  223   1HD   LYS  28          2HD       LYS  28  10.640  -9.101  -3.279
  224   2HD   LYS  28          1HD       LYS  28   9.478 -10.260  -3.895
  225   1HE   LYS  28          2HE       LYS  28   7.867  -8.370  -4.314
  226   2HE   LYS  28          1HE       LYS  28   9.108  -7.241  -3.781
  227   1HZ   LYS  28          1HZ       LYS  28   8.764  -8.363  -6.302
  228   2HZ   LYS  28          2HZ       LYS  28  10.231  -8.954  -5.685
  229   3HZ   LYS  28          3HZ       LYS  28   9.967  -7.280  -5.786
  230    H    GLU  29           H        GLU  29  11.199 -10.159   1.113
  231    HA   GLU  29           HA       GLU  29  11.458 -12.784   2.533
  232   1HB   GLU  29          1HB       GLU  29  12.887 -12.630   0.519
  233   2HB   GLU  29          2HB       GLU  29  13.601 -11.148   1.114
  234   1HG   GLU  29          2HG       GLU  29  15.034 -13.205   1.466
  235   2HG   GLU  29          1HG       GLU  29  14.729 -12.346   2.951
  236    H    LYS  30           H        LYS  30  10.374 -11.336   4.217
  237    HA   LYS  30           HA       LYS  30  12.541 -10.183   5.938
  238   1HB   LYS  30          1HB       LYS  30  10.946  -8.423   4.858
  239   2HB   LYS  30          2HB       LYS  30   9.700  -9.078   5.913
  240   1HG   LYS  30          2HG       LYS  30  11.231  -8.690   7.890
  241   2HG   LYS  30          1HG       LYS  30  12.435  -8.027   6.812
  242   1HD   LYS  30          2HD       LYS  30  11.380  -6.133   7.753
  243   2HD   LYS  30          1HD       LYS  30  10.697  -6.266   6.147
  244   1HE   LYS  30          2HE       LYS  30   8.649  -7.218   6.980
  245   2HE   LYS  30          1HE       LYS  30   9.331  -7.468   8.585
  246   1HZ   LYS  30          1HZ       LYS  30   8.024  -5.224   7.599
  247   2HZ   LYS  30          2HZ       LYS  30   9.629  -4.774   7.894
  248   3HZ   LYS  30          3HZ       LYS  30   8.697  -5.454   9.140
  Start of MODEL   13
    1   1H    LYS   1          1H        LYS   1 -11.434   8.891   0.530
    2   2H    LYS   1          2H        LYS   1 -12.183  10.414   0.491
    3   3H    LYS   1          3H        LYS   1 -12.799   9.192   1.495
    4    HA   LYS   1           HA       LYS   1 -10.890  11.133   2.095
    5   1HB   LYS   1          2HB       LYS   1 -12.715  10.194   3.588
    6   2HB   LYS   1          1HB       LYS   1 -11.816   8.698   3.701
    7   1HG   LYS   1          2HG       LYS   1  -9.878   9.973   4.700
    8   2HG   LYS   1          1HG       LYS   1 -10.840  11.438   4.640
    9   1HD   LYS   1          2HD       LYS   1 -12.569  10.311   6.100
   10   2HD   LYS   1          1HD       LYS   1 -11.520   8.908   6.209
   11   1HE   LYS   1          2HE       LYS   1 -10.776  11.713   7.144
   12   2HE   LYS   1          1HE       LYS   1 -11.248  10.385   8.190
   13   1HZ   LYS   1          1HZ       LYS   1  -8.722  10.971   7.179
   14   2HZ   LYS   1          2HZ       LYS   1  -9.203   9.485   6.514
   15   3HZ   LYS   1          3HZ       LYS   1  -9.181   9.695   8.201
   16    H    THR   2           H        THR   2 -10.638   7.602   2.211
   17    HA   THR   2           HA       THR   2  -7.655   7.809   2.112
   18    HB   THR   2           HB       THR   2  -7.670   5.535   3.282
   19    HG1  THR   2           HG1      THR   2 -10.215   5.604   4.041
   20   1HG2  THR   2          1HG2      THR   2  -7.705   7.585   4.791
   21   2HG2  THR   2          2HG2      THR   2  -8.590   6.240   5.468
   22   3HG2  THR   2          3HG2      THR   2  -9.462   7.572   4.725
   23    H    TYR   3           H        TYR   3  -6.673   5.758   1.420
   24    HA   TYR   3           HA       TYR   3  -7.769   4.743  -1.162
   25   1HB   TYR   3          1HB       TYR   3  -4.881   5.078  -0.217
   26   2HB   TYR   3          2HB       TYR   3  -5.367   4.555  -1.818
   27    HD1  TYR   3           HD1      TYR   3  -7.370   6.360  -2.747
   28    HD2  TYR   3           HD2      TYR   3  -4.081   7.277  -0.183
   29    HE1  TYR   3           HE1      TYR   3  -7.490   8.700  -3.419
   30    HE2  TYR   3           HE2      TYR   3  -4.205   9.615  -0.872
   31    HH   TYR   3           HH       TYR   3  -5.196  11.110  -2.187
   32    H    GLN   4           H        GLN   4  -7.430   2.434  -1.449
   33    HA   GLN   4           HA       GLN   4  -6.857   0.997   1.115
   34   1HB   GLN   4          1HB       GLN   4  -9.196   0.856   0.630
   35   2HB   GLN   4          2HB       GLN   4  -8.903   0.437  -1.041
   36   1HG   GLN   4          2HG       GLN   4  -9.592  -1.524   0.357
   37   2HG   GLN   4          1HG       GLN   4  -8.039  -1.768  -0.408
   38   1HE2  GLN   4          2HE2      GLN   4  -6.518  -2.574   0.938
   39   2HE2  GLN   4          1HE2      GLN   4  -6.479  -2.399   2.623
   40    H    CYS   5           H        CYS   5  -5.473  -0.471   1.188
   41    HA   CYS   5           HA       CYS   5  -3.433  -1.013  -0.620
   42   1HB   CYS   5          1HB       CYS   5  -3.316  -1.483   1.778
   43   2HB   CYS   5          2HB       CYS   5  -4.539  -2.746   1.632
   44    H    GLN   6           H        GLN   6  -2.830  -3.046  -1.633
   45    HA   GLN   6           HA       GLN   6  -5.156  -4.397  -2.969
   46   1HB   GLN   6          1HB       GLN   6  -2.354  -3.880  -4.060
   47   2HB   GLN   6          2HB       GLN   6  -3.670  -4.626  -4.940
   48   1HG   GLN   6          2HG       GLN   6  -3.778  -1.775  -3.836
   49   2HG   GLN   6          1HG       GLN   6  -3.359  -2.175  -5.493
   50   1HE2  GLN   6          2HE2      GLN   6  -6.002  -1.234  -3.608
   51   2HE2  GLN   6          1HE2      GLN   6  -7.218  -1.850  -4.608
   52    H    TYR   7           H        TYR   7  -3.530  -4.991  -0.509
   53    HA   TYR   7           HA       TYR   7  -2.832  -7.828  -1.161
   54   1HB   TYR   7          1HB       TYR   7  -1.392  -5.971   0.774
   55   2HB   TYR   7          2HB       TYR   7  -0.952  -7.644   0.469
   56    HD1  TYR   7           HD1      TYR   7  -0.651  -8.185  -2.171
   57    HD2  TYR   7           HD2      TYR   7  -0.187  -4.335  -0.411
   58    HE1  TYR   7           HE1      TYR   7   0.709  -7.472  -4.075
   59    HE2  TYR   7           HE2      TYR   7   1.191  -3.626  -2.311
   60    HH   TYR   7           HH       TYR   7   1.537  -4.218  -4.640
   61    H    CYS   8           H        CYS   8  -3.337  -5.630   1.545
   62    HA   CYS   8           HA       CYS   8  -5.176  -7.602   2.856
   63   1HB   CYS   8          1HB       CYS   8  -4.414  -6.781   4.985
   64   2HB   CYS   8          2HB       CYS   8  -2.990  -7.257   4.064
   65    H    GLU   9           H        GLU   9  -6.006  -5.850   4.861
   66    HA   GLU   9           HA       GLU   9  -7.581  -3.878   3.278
   67   1HB   GLU   9          1HB       GLU   9  -8.903  -5.738   4.336
   68   2HB   GLU   9          2HB       GLU   9  -8.309  -5.258   5.908
   69   1HG   GLU   9          2HG       GLU   9 -10.579  -4.342   5.508
   70   2HG   GLU   9          1HG       GLU   9  -9.446  -3.034   5.675
   71    H    PHE  10           H        PHE  10  -5.449  -2.789   3.635
   72    HA   PHE  10           HA       PHE  10  -5.396  -1.165   6.157
   73   1HB   PHE  10          1HB       PHE  10  -3.202  -2.203   5.651
   74   2HB   PHE  10          2HB       PHE  10  -3.256  -1.629   3.993
   75    HD1  PHE  10           HD1      PHE  10  -2.572  -0.674   7.488
   76    HD2  PHE  10           HD2      PHE  10  -2.994   0.796   3.516
   77    HE1  PHE  10           HE1      PHE  10  -1.512   1.439   8.149
   78    HE2  PHE  10           HE2      PHE  10  -1.932   2.933   4.201
   79    HZ   PHE  10           HZ       PHE  10  -1.204   3.253   6.474
   80    H    ARG  11           H        ARG  11  -6.094   0.887   5.960
   81    HA   ARG  11           HA       ARG  11  -6.157   2.141   3.270
   82   1HB   ARG  11          1HB       ARG  11  -8.470   3.058   3.900
   83   2HB   ARG  11          2HB       ARG  11  -8.387   1.339   3.580
   84   1HG   ARG  11          2HG       ARG  11  -8.187   0.962   6.108
   85   2HG   ARG  11          1HG       ARG  11  -8.478   2.678   6.319
   86   1HD   ARG  11          2HD       ARG  11 -10.561   1.301   6.564
   87   2HD   ARG  11          1HD       ARG  11 -10.692   2.475   5.259
   88    HE   ARG  11           HE       ARG  11  -9.952  -0.381   4.719
   89   1HH1  ARG  11          2HH2      ARG  11 -10.116   1.724   2.539
   90   2HH1  ARG  11          1HH2      ARG  11 -11.695   1.413   1.894
   91   1HH2  ARG  11          2HH1      ARG  11 -12.682  -0.482   4.662
   92   2HH2  ARG  11          1HH1      ARG  11 -13.187   0.136   3.124
   93    H    SER  12           H        SER  12  -5.448   4.130   3.206
   94    HA   SER  12           HA       SER  12  -5.358   5.824   5.664
   95   1HB   SER  12          2HB       SER  12  -2.947   5.023   3.978
   96   2HB   SER  12          1HB       SER  12  -2.770   6.134   5.272
   97    HG   SER  12           HG       SER  12  -2.933   4.642   6.668
   98    H    ALA  13           H        ALA  13  -4.934   8.083   5.237
   99    HA   ALA  13           HA       ALA  13  -5.669   8.913   2.441
  100   1HB   ALA  13          1HB       ALA  13  -6.275  10.299   5.096
  101   2HB   ALA  13          2HB       ALA  13  -7.451   9.451   4.112
  102   3HB   ALA  13          3HB       ALA  13  -6.708  10.914   3.511
  103    H    ASP  14           H        ASP  14  -3.053   8.378   3.147
  104    HA   ASP  14           HA       ASP  14  -1.847  11.127   3.118
  105   1HB   ASP  14          1HB       ASP  14  -1.521   9.887   5.278
  106   2HB   ASP  14          2HB       ASP  14  -0.742   8.613   4.376
  107    H    SER  15           H        SER  15  -1.514   7.790   2.114
  108    HA   SER  15           HA       SER  15   0.206   6.931   0.611
  109   1HB   SER  15          2HB       SER  15  -2.192   7.963  -0.888
  110   2HB   SER  15          1HB       SER  15  -1.098   6.684  -1.444
  111    HG   SER  15           HG       SER  15  -2.205   5.438  -0.189
  112    H    SER  16           H        SER  16   2.216   9.503  -0.973
  113    HA   SER  16           HA       SER  16   3.571   7.836  -0.041
  114   1HB   SER  16          2HB       SER  16   3.963   9.090   2.252
  115   2HB   SER  16          1HB       SER  16   4.154   9.914   0.705
  116    HG   SER  16           HG       SER  16   1.567   9.878   1.518
  117    H    ASN  17           H        ASN  17   1.834   8.163   3.118
  118    HA   ASN  17           HA       ASN  17   2.789   5.996   4.403
  119   1HB   ASN  17          1HB       ASN  17  -0.141   6.762   4.296
  120   2HB   ASN  17          2HB       ASN  17   0.475   5.576   5.419
  121   1HD2  ASN  17          2HD2      ASN  17   3.029   7.696   5.176
  122   2HD2  ASN  17          1HD2      ASN  17   2.629   8.732   6.457
  123    H    LEU  18           H        LEU  18  -0.070   5.446   2.302
  124    HA   LEU  18           HA       LEU  18  -0.243   2.698   2.622
  125   1HB   LEU  18          1HB       LEU  18  -1.852   4.126   1.335
  126   2HB   LEU  18          2HB       LEU  18  -0.651   4.309   0.049
  127    HG   LEU  18           HG       LEU  18  -0.816   1.888  -0.467
  128   1HD1  LEU  18          1HD1      LEU  18  -1.424   1.069   1.829
  129   2HD1  LEU  18          2HD1      LEU  18  -2.562   0.517   0.618
  130   3HD1  LEU  18          3HD1      LEU  18  -2.987   1.859   1.665
  131   1HD2  LEU  18          1HD2      LEU  18  -2.346   3.508  -1.591
  132   2HD2  LEU  18          2HD2      LEU  18  -3.528   3.286  -0.307
  133   3HD2  LEU  18          3HD2      LEU  18  -3.128   1.949  -1.372
  134    H    LYS  19           H        LYS  19   2.056   4.326   0.568
  135    HA   LYS  19           HA       LYS  19   3.007   1.884  -0.713
  136   1HB   LYS  19          1HB       LYS  19   4.358   4.629  -0.409
  137   2HB   LYS  19          2HB       LYS  19   4.800   3.389  -1.571
  138   1HG   LYS  19          2HG       LYS  19   2.536   3.586  -2.635
  139   2HG   LYS  19          1HG       LYS  19   2.088   4.809  -1.467
  140   1HD   LYS  19          2HD       LYS  19   2.719   5.939  -3.507
  141   2HD   LYS  19          1HD       LYS  19   3.927   6.278  -2.289
  142   1HE   LYS  19          2HE       LYS  19   4.986   5.762  -4.470
  143   2HE   LYS  19          1HE       LYS  19   5.432   4.543  -3.294
  144   1HZ   LYS  19          1HZ       LYS  19   4.181   4.200  -5.748
  145   2HZ   LYS  19          2HZ       LYS  19   3.053   3.755  -4.560
  146   3HZ   LYS  19          3HZ       LYS  19   4.578   3.013  -4.602
  147    H    THR  20           H        THR  20   4.061   3.985   1.908
  148    HA   THR  20           HA       THR  20   6.380   2.528   2.684
  149    HB   THR  20           HB       THR  20   4.429   3.878   4.683
  150    HG1  THR  20           HG1      THR  20   5.760   4.841   2.562
  151   1HG2  THR  20          1HG2      THR  20   6.542   4.342   5.908
  152   2HG2  THR  20          2HG2      THR  20   7.495   3.640   4.613
  153   3HG2  THR  20          3HG2      THR  20   6.482   2.615   5.618
  154    H    HIS  21           H        HIS  21   3.025   2.149   3.636
  155    HA   HIS  21           HA       HIS  21   3.137   0.005   5.415
  156   1HB   HIS  21          1HB       HIS  21   1.023   1.128   5.044
  157   2HB   HIS  21          2HB       HIS  21   1.098   0.930   3.311
  158    HD1  HIS  21           HD1      HIS  21   0.390  -1.061   6.368
  159    HD2  HIS  21           HD2      HIS  21   0.089  -1.425   2.311
  160    HE1  HIS  21           HE1      HIS  21  -0.908  -3.122   5.951
  161    H    ILE  22           H        ILE  22   2.582  -0.286   1.889
  162    HA   ILE  22           HA       ILE  22   2.870  -3.033   1.613
  163    HB   ILE  22           HB       ILE  22   3.838  -0.830  -0.303
  164   1HG1  ILE  22          2HG1      ILE  22   1.268  -2.461  -0.332
  165   2HG1  ILE  22          1HG1      ILE  22   1.364  -0.913   0.462
  166   1HG2  ILE  22          1HG2      ILE  22   3.264  -3.770  -0.878
  167   2HG2  ILE  22          2HG2      ILE  22   4.861  -3.051  -0.866
  168   3HG2  ILE  22          3HG2      ILE  22   3.698  -2.558  -2.072
  169   1HD1  ILE  22          1HD       ILE  22   2.031   0.158  -1.671
  170   2HD1  ILE  22          2HD       ILE  22   0.482  -0.655  -1.822
  171   3HD1  ILE  22          3HD       ILE  22   1.929  -1.386  -2.497
  172    H    LYS  23           H        LYS  23   5.469  -0.658   1.794
  173    HA   LYS  23           HA       LYS  23   7.618  -2.498   1.378
  174   1HB   LYS  23          1HB       LYS  23   8.605  -0.429   1.195
  175   2HB   LYS  23          2HB       LYS  23   7.236   0.344   1.947
  176   1HG   LYS  23          2HG       LYS  23   8.177  -0.059   4.158
  177   2HG   LYS  23          1HG       LYS  23   9.570  -0.888   3.473
  178   1HD   LYS  23          2HD       LYS  23  10.204   1.211   2.281
  179   2HD   LYS  23          1HD       LYS  23   8.795   2.022   2.932
  180   1HE   LYS  23          2HE       LYS  23  11.032   0.832   4.644
  181   2HE   LYS  23          1HE       LYS  23  10.895   2.530   4.219
  182   1HZ   LYS  23          1HZ       LYS  23   9.575   2.808   5.928
  183   2HZ   LYS  23          2HZ       LYS  23   9.655   1.156   6.304
  184   3HZ   LYS  23          3HZ       LYS  23   8.441   1.732   5.264
  185    H    THR  24           H        THR  24   6.206  -1.320   4.406
  186    HA   THR  24           HA       THR  24   7.848  -3.218   5.992
  187    HB   THR  24           HB       THR  24   6.656  -2.018   7.991
  188    HG1  THR  24           HG1      THR  24   6.025   0.077   6.417
  189   1HG2  THR  24          1HG2      THR  24   8.950  -1.260   7.183
  190   2HG2  THR  24          2HG2      THR  24   7.951   0.042   7.809
  191   3HG2  THR  24          3HG2      THR  24   8.134  -0.164   6.084
  192    H    LYS  25           H        LYS  25   5.144  -3.700   4.349
  193    HA   LYS  25           HA       LYS  25   4.048  -5.606   6.376
  194   1HB   LYS  25          1HB       LYS  25   2.472  -3.770   4.507
  195   2HB   LYS  25          2HB       LYS  25   1.749  -5.110   5.375
  196   1HG   LYS  25          2HG       LYS  25   3.340  -2.967   6.837
  197   2HG   LYS  25          1HG       LYS  25   1.634  -2.785   6.536
  198   1HD   LYS  25          2HD       LYS  25   1.151  -4.896   7.730
  199   2HD   LYS  25          1HD       LYS  25   2.859  -5.135   8.044
  200   1HE   LYS  25          2HE       LYS  25   1.309  -2.687   8.976
  201   2HE   LYS  25          1HE       LYS  25   1.607  -4.099   9.979
  202   1HZ   LYS  25          1HZ       LYS  25   3.298  -1.931   9.478
  203   2HZ   LYS  25          2HZ       LYS  25   4.044  -3.332   8.868
  204   3HZ   LYS  25          3HZ       LYS  25   3.551  -3.271  10.491
  205    H    HIS  26           H        HIS  26   4.316  -4.811   2.976
  206    HA   HIS  26           HA       HIS  26   4.166  -7.737   2.323
  207   1HB   HIS  26          1HB       HIS  26   3.307  -5.441   0.505
  208   2HB   HIS  26          2HB       HIS  26   3.012  -7.155   0.267
  209    HD1  HIS  26           HD1      HIS  26   1.606  -8.102   2.611
  210    HD2  HIS  26           HD2      HIS  26   1.086  -4.219   1.460
  211    HE1  HIS  26           HE1      HIS  26  -0.509  -7.346   3.644
  212    H    SER  27           H        SER  27   6.441  -6.943   3.055
  213    HA   SER  27           HA       SER  27   8.374  -5.590   1.763
  214   1HB   SER  27          2HB       SER  27   8.683  -7.010   3.809
  215   2HB   SER  27          1HB       SER  27   8.736  -8.449   2.787
  216    HG   SER  27           HG       SER  27  10.339  -6.537   1.771
  217    H    LYS  28           H        LYS  28   7.697  -5.540  -0.514
  218    HA   LYS  28           HA       LYS  28   8.949  -7.737  -2.125
  219   1HB   LYS  28          1HB       LYS  28   6.475  -6.047  -2.715
  220   2HB   LYS  28          2HB       LYS  28   7.251  -7.071  -3.911
  221   1HG   LYS  28          2HG       LYS  28   6.886  -9.056  -2.525
  222   2HG   LYS  28          1HG       LYS  28   6.186  -8.105  -1.237
  223   1HD   LYS  28          2HD       LYS  28   4.381  -7.359  -2.845
  224   2HD   LYS  28          1HD       LYS  28   5.068  -8.426  -4.057
  225   1HE   LYS  28          2HE       LYS  28   3.998  -9.307  -1.335
  226   2HE   LYS  28          1HE       LYS  28   3.197  -9.553  -2.880
  227   1HZ   LYS  28          1HZ       LYS  28   5.800 -10.540  -3.094
  228   2HZ   LYS  28          2HZ       LYS  28   4.336 -11.394  -3.148
  229   3HZ   LYS  28          3HZ       LYS  28   5.121 -11.152  -1.663
  230    H    GLU  29           H        GLU  29  10.781  -6.353  -1.596
  231    HA   GLU  29           HA       GLU  29  12.507  -4.964  -2.303
  232   1HB   GLU  29          1HB       GLU  29  10.868  -4.474  -4.862
  233   2HB   GLU  29          2HB       GLU  29  12.596  -4.341  -4.673
  234   1HG   GLU  29          2HG       GLU  29  10.986  -6.931  -4.538
  235   2HG   GLU  29          1HG       GLU  29  12.091  -6.450  -5.810
  236    H    LYS  30           H        LYS  30  12.598  -2.646  -3.577
  237    HA   LYS  30           HA       LYS  30  11.828  -0.390  -3.762
  238   1HB   LYS  30          1HB       LYS  30  10.099  -0.941  -1.272
  239   2HB   LYS  30          2HB       LYS  30  10.219   0.574  -2.113
  240   1HG   LYS  30          2HG       LYS  30   9.260  -0.282  -4.150
  241   2HG   LYS  30          1HG       LYS  30   9.251  -1.924  -3.567
  242   1HD   LYS  30          2HD       LYS  30   7.655   0.360  -2.314
  243   2HD   LYS  30          1HD       LYS  30   6.997  -0.794  -3.454
  244   1HE   LYS  30          2HE       LYS  30   8.159  -1.549  -0.728
  245   2HE   LYS  30          1HE       LYS  30   6.452  -1.415  -1.103
  246   1HZ   LYS  30          1HZ       LYS  30   7.606  -3.062  -3.028
  247   2HZ   LYS  30          2HZ       LYS  30   6.505  -3.491  -1.809
  248   3HZ   LYS  30          3HZ       LYS  30   8.179  -3.576  -1.522
  Start of MODEL   14
    1   1H    LYS   1          1H        LYS   1 -10.503   9.990  -1.204
    2   2H    LYS   1          2H        LYS   1 -10.442  11.560  -1.845
    3   3H    LYS   1          3H        LYS   1 -11.644  11.149  -0.717
    4    HA   LYS   1           HA       LYS   1  -9.096  12.196  -0.238
    5   1HB   LYS   1          2HB       LYS   1 -11.309  12.653   0.977
    6   2HB   LYS   1          1HB       LYS   1 -11.116  11.105   1.770
    7   1HG   LYS   1          2HG       LYS   1  -8.789  11.969   2.568
    8   2HG   LYS   1          1HG       LYS   1  -9.246  13.525   1.923
    9   1HD   LYS   1          2HD       LYS   1 -10.057  13.927   4.014
   10   2HD   LYS   1          1HD       LYS   1 -11.443  12.996   3.498
   11   1HE   LYS   1          2HE       LYS   1  -9.008  11.870   4.957
   12   2HE   LYS   1          1HE       LYS   1 -10.585  12.161   5.670
   13   1HZ   LYS   1          1HZ       LYS   1  -9.689   9.904   4.307
   14   2HZ   LYS   1          2HZ       LYS   1 -10.961  10.574   3.412
   15   3HZ   LYS   1          3HZ       LYS   1 -11.196  10.173   5.041
   16    H    THR   2           H        THR   2 -10.507   9.044   0.341
   17    HA   THR   2           HA       THR   2  -8.020   8.094   1.642
   18    HB   THR   2           HB       THR   2  -9.901   7.428   2.902
   19    HG1  THR   2           HG1      THR   2  -9.052   5.540   2.948
   20   1HG2  THR   2          1HG2      THR   2 -11.159   6.332   0.309
   21   2HG2  THR   2          2HG2      THR   2 -11.718   7.774   1.128
   22   3HG2  THR   2          3HG2      THR   2 -11.866   6.213   1.914
   23    H    TYR   3           H        TYR   3  -7.151   6.229   1.196
   24    HA   TYR   3           HA       TYR   3  -7.143   5.194  -1.590
   25   1HB   TYR   3          1HB       TYR   3  -4.792   5.501   0.291
   26   2HB   TYR   3          2HB       TYR   3  -4.708   5.164  -1.431
   27    HD1  TYR   3           HD1      TYR   3  -6.069   7.143  -2.870
   28    HD2  TYR   3           HD2      TYR   3  -4.322   7.625   0.979
   29    HE1  TYR   3           HE1      TYR   3  -5.978   9.571  -3.205
   30    HE2  TYR   3           HE2      TYR   3  -4.223  10.050   0.640
   31    HH   TYR   3           HH       TYR   3  -4.770  11.741  -0.660
   32    H    GLN   4           H        GLN   4  -6.673   2.914  -1.681
   33    HA   GLN   4           HA       GLN   4  -6.951   1.457   0.939
   34   1HB   GLN   4          1HB       GLN   4  -8.917   1.585  -0.854
   35   2HB   GLN   4          2HB       GLN   4  -7.989   0.354  -1.676
   36   1HG   GLN   4          2HG       GLN   4  -8.745   0.058   1.246
   37   2HG   GLN   4          1HG       GLN   4  -9.859  -0.394  -0.018
   38   1HE2  GLN   4          2HE2      GLN   4  -7.382  -1.564   1.951
   39   2HE2  GLN   4          1HE2      GLN   4  -7.015  -2.976   1.098
   40    H    CYS   5           H        CYS   5  -6.028  -0.705   0.883
   41    HA   CYS   5           HA       CYS   5  -3.429  -0.795  -0.553
   42   1HB   CYS   5          1HB       CYS   5  -3.423  -1.155   1.813
   43   2HB   CYS   5          2HB       CYS   5  -4.619  -2.451   1.694
   44    H    GLN   6           H        GLN   6  -2.784  -3.229  -1.131
   45    HA   GLN   6           HA       GLN   6  -5.001  -4.401  -2.774
   46   1HB   GLN   6          1HB       GLN   6  -3.295  -3.250  -4.147
   47   2HB   GLN   6          2HB       GLN   6  -2.030  -4.222  -3.425
   48   1HG   GLN   6          2HG       GLN   6  -2.969  -6.279  -4.415
   49   2HG   GLN   6          1HG       GLN   6  -4.375  -5.400  -5.003
   50   1HE2  GLN   6          1HE2      GLN   6  -4.201  -5.026  -7.178
   51   2HE2  GLN   6          2HE2      GLN   6  -2.764  -4.690  -8.018
   52    H    TYR   7           H        TYR   7  -2.578  -5.002  -0.456
   53    HA   TYR   7           HA       TYR   7  -2.704  -7.952  -0.815
   54   1HB   TYR   7          1HB       TYR   7  -1.073  -6.220   1.061
   55   2HB   TYR   7          2HB       TYR   7  -0.847  -7.948   0.836
   56    HD1  TYR   7           HD1      TYR   7  -0.274  -8.756  -1.580
   57    HD2  TYR   7           HD2      TYR   7  -0.019  -4.672  -0.384
   58    HE1  TYR   7           HE1      TYR   7   1.163  -8.273  -3.505
   59    HE2  TYR   7           HE2      TYR   7   1.415  -4.200  -2.307
   60    HH   TYR   7           HH       TYR   7   2.382  -6.760  -4.563
   61    H    CYS   8           H        CYS   8  -3.154  -5.523   1.729
   62    HA   CYS   8           HA       CYS   8  -5.050  -7.387   3.122
   63   1HB   CYS   8          1HB       CYS   8  -4.375  -6.473   5.214
   64   2HB   CYS   8          2HB       CYS   8  -2.881  -6.761   4.337
   65    H    GLU   9           H        GLU   9  -6.052  -5.599   4.876
   66    HA   GLU   9           HA       GLU   9  -7.739  -3.845   3.152
   67   1HB   GLU   9          1HB       GLU   9  -9.284  -3.979   5.246
   68   2HB   GLU   9          2HB       GLU   9  -9.126  -5.402   4.252
   69   1HG   GLU   9          2HG       GLU   9  -9.037  -5.928   6.697
   70   2HG   GLU   9          1HG       GLU   9  -7.604  -6.456   5.851
   71    H    PHE  10           H        PHE  10  -5.420  -2.758   3.518
   72    HA   PHE  10           HA       PHE  10  -5.539  -0.906   5.852
   73   1HB   PHE  10          1HB       PHE  10  -3.388  -1.959   5.461
   74   2HB   PHE  10          2HB       PHE  10  -3.306  -1.391   3.802
   75    HD1  PHE  10           HD1      PHE  10  -2.950  -0.481   7.335
   76    HD2  PHE  10           HD2      PHE  10  -2.963   1.064   3.362
   77    HE1  PHE  10           HE1      PHE  10  -1.943   1.608   8.137
   78    HE2  PHE  10           HE2      PHE  10  -1.964   3.169   4.192
   79    HZ   PHE  10           HZ       PHE  10  -1.453   3.428   6.558
   80    H    ARG  11           H        ARG  11  -7.024   0.405   5.350
   81    HA   ARG  11           HA       ARG  11  -6.872   2.000   2.830
   82   1HB   ARG  11          1HB       ARG  11  -8.920   0.632   3.128
   83   2HB   ARG  11          2HB       ARG  11  -9.251   1.435   4.635
   84   1HG   ARG  11          2HG       ARG  11  -9.673   3.538   3.570
   85   2HG   ARG  11          1HG       ARG  11  -8.935   3.009   2.066
   86   1HD   ARG  11          2HD       ARG  11 -10.769   1.319   1.777
   87   2HD   ARG  11          1HD       ARG  11 -11.549   1.982   3.214
   88    HE   ARG  11           HE       ARG  11 -11.923   4.057   2.022
   89   1HH1  ARG  11          1HH1      ARG  11 -12.800   1.852   0.085
   90   2HH1  ARG  11          2HH1      ARG  11 -12.092   2.414  -1.393
   91   1HH2  ARG  11          1HH2      ARG  11  -9.996   4.655   0.313
   92   2HH2  ARG  11          2HH2      ARG  11 -10.403   4.074  -1.275
   93    H    SER  12           H        SER  12  -5.853   3.703   3.274
   94    HA   SER  12           HA       SER  12  -6.327   5.242   5.809
   95   1HB   SER  12          2HB       SER  12  -3.748   4.595   4.333
   96   2HB   SER  12          1HB       SER  12  -3.739   5.787   5.587
   97    HG   SER  12           HG       SER  12  -3.885   4.237   6.994
   98    H    ALA  13           H        ALA  13  -5.337   7.560   5.497
   99    HA   ALA  13           HA       ALA  13  -6.337   8.603   2.859
  100   1HB   ALA  13          1HB       ALA  13  -7.043  10.627   4.117
  101   2HB   ALA  13          2HB       ALA  13  -6.436   9.921   5.610
  102   3HB   ALA  13          3HB       ALA  13  -7.805   9.191   4.782
  103    H    ASP  14           H        ASP  14  -3.750   7.705   3.341
  104    HA   ASP  14           HA       ASP  14  -2.183  10.216   2.922
  105   1HB   ASP  14          1HB       ASP  14  -1.879   8.922   5.282
  106   2HB   ASP  14          2HB       ASP  14  -0.967   7.798   4.313
  107    H    SER  15           H        SER  15  -0.513   9.941   1.351
  108    HA   SER  15           HA       SER  15  -0.577   7.354  -0.166
  109   1HB   SER  15          2HB       SER  15  -1.877   9.209  -1.334
  110   2HB   SER  15          1HB       SER  15  -0.408  10.187  -1.367
  111    HG   SER  15           HG       SER  15  -1.130   8.143  -2.953
  112    H    SER  16           H        SER  16   1.264   8.810   1.817
  113    HA   SER  16           HA       SER  16   3.819   8.406   0.353
  114   1HB   SER  16          2HB       SER  16   4.837  10.017   1.948
  115   2HB   SER  16          1HB       SER  16   3.349  10.789   1.404
  116    HG   SER  16           HG       SER  16   4.020   9.968   3.861
  117    H    ASN  17           H        ASN  17   1.759   7.860   3.117
  118    HA   ASN  17           HA       ASN  17   3.608   5.825   4.243
  119   1HB   ASN  17          1HB       ASN  17   1.009   6.980   5.357
  120   2HB   ASN  17          2HB       ASN  17   2.155   5.957   6.220
  121   1HD2  ASN  17          2HD2      ASN  17   4.607   7.133   5.345
  122   2HD2  ASN  17          1HD2      ASN  17   4.693   8.714   5.959
  123    H    LEU  18           H        LEU  18   1.721   5.673   1.773
  124    HA   LEU  18           HA       LEU  18   0.231   3.213   2.553
  125   1HB   LEU  18          1HB       LEU  18  -1.146   4.968   1.508
  126   2HB   LEU  18          2HB       LEU  18  -0.032   5.075   0.146
  127    HG   LEU  18           HG       LEU  18  -0.661   2.853  -0.642
  128   1HD1  LEU  18          1HD1      LEU  18  -0.901   1.691   1.594
  129   2HD1  LEU  18          2HD1      LEU  18  -2.307   1.434   0.586
  130   3HD1  LEU  18          3HD1      LEU  18  -2.373   2.609   1.886
  131   1HD2  LEU  18          1HD2      LEU  18  -3.122   4.353   0.318
  132   2HD2  LEU  18          2HD2      LEU  18  -3.106   3.184  -0.993
  133   3HD2  LEU  18          3HD2      LEU  18  -2.248   4.710  -1.165
  134    H    LYS  19           H        LYS  19   2.411   4.635   0.108
  135    HA   LYS  19           HA       LYS  19   2.953   2.063  -1.139
  136   1HB   LYS  19          1HB       LYS  19   4.884   3.304  -2.229
  137   2HB   LYS  19          2HB       LYS  19   3.402   4.224  -2.355
  138   1HG   LYS  19          2HG       LYS  19   4.092   5.607  -0.375
  139   2HG   LYS  19          1HG       LYS  19   5.605   4.709  -0.296
  140   1HD   LYS  19          2HD       LYS  19   6.166   5.430  -2.606
  141   2HD   LYS  19          1HD       LYS  19   4.654   6.322  -2.692
  142   1HE   LYS  19          2HE       LYS  19   5.384   7.717  -0.758
  143   2HE   LYS  19          1HE       LYS  19   6.915   6.855  -0.723
  144   1HZ   LYS  19          1HZ       LYS  19   7.659   8.200  -2.277
  145   2HZ   LYS  19          2HZ       LYS  19   6.171   9.026  -2.302
  146   3HZ   LYS  19          3HZ       LYS  19   6.426   7.708  -3.341
  147    H    THR  20           H        THR  20   4.355   4.027   1.410
  148    HA   THR  20           HA       THR  20   6.593   2.316   1.952
  149    HB   THR  20           HB       THR  20   5.034   4.232   3.811
  150    HG1  THR  20           HG1      THR  20   5.937   5.494   2.420
  151   1HG2  THR  20          1HG2      THR  20   6.645   2.621   5.042
  152   2HG2  THR  20          2HG2      THR  20   7.150   4.300   5.113
  153   3HG2  THR  20          3HG2      THR  20   7.931   3.196   3.991
  154    H    HIS  21           H        HIS  21   3.288   2.549   3.248
  155    HA   HIS  21           HA       HIS  21   3.252   0.520   5.135
  156   1HB   HIS  21          1HB       HIS  21   1.165   1.663   4.789
  157   2HB   HIS  21          2HB       HIS  21   1.120   1.329   3.080
  158    HD1  HIS  21           HD1      HIS  21   0.631  -0.455   6.326
  159    HD2  HIS  21           HD2      HIS  21  -0.083  -1.031   2.349
  160    HE1  HIS  21           HE1      HIS  21  -0.753  -2.495   6.162
  161    H    ILE  22           H        ILE  22   2.629   0.005   1.623
  162    HA   ILE  22           HA       ILE  22   2.637  -2.808   1.682
  163    HB   ILE  22           HB       ILE  22   3.612  -0.936  -0.539
  164   1HG1  ILE  22          2HG1      ILE  22   0.920  -2.344  -0.154
  165   2HG1  ILE  22          1HG1      ILE  22   1.208  -0.672   0.274
  166   1HG2  ILE  22          1HG2      ILE  22   4.475  -3.255  -0.892
  167   2HG2  ILE  22          2HG2      ILE  22   3.236  -2.890  -2.063
  168   3HG2  ILE  22          3HG2      ILE  22   2.857  -3.889  -0.669
  169   1HD1  ILE  22          1HD       ILE  22   1.469  -1.823  -2.538
  170   2HD1  ILE  22          2HD       ILE  22   1.773  -0.153  -2.089
  171   3HD1  ILE  22          3HD       ILE  22   0.156  -0.825  -1.952
  172    H    LYS  23           H        LYS  23   5.404  -0.732   0.984
  173    HA   LYS  23           HA       LYS  23   7.349  -2.685   0.694
  174   1HB   LYS  23          1HB       LYS  23   7.544  -0.276   0.093
  175   2HB   LYS  23          2HB       LYS  23   7.589   0.151   1.793
  176   1HG   LYS  23          2HG       LYS  23   9.719  -0.746   2.124
  177   2HG   LYS  23          1HG       LYS  23   9.635  -1.783   0.727
  178   1HD   LYS  23          2HD       LYS  23  11.132  -0.006   0.074
  179   2HD   LYS  23          1HD       LYS  23   9.617   0.413  -0.679
  180   1HE   LYS  23          2HE       LYS  23  10.478   1.537   2.016
  181   2HE   LYS  23          1HE       LYS  23  10.787   2.343   0.490
  182   1HZ   LYS  23          1HZ       LYS  23   8.086   1.653   0.557
  183   2HZ   LYS  23          2HZ       LYS  23   8.790   3.193   0.571
  184   3HZ   LYS  23          3HZ       LYS  23   8.474   2.396   2.034
  185    H    THR  24           H        THR  24   6.155  -1.481   3.729
  186    HA   THR  24           HA       THR  24   8.280  -2.980   5.173
  187    HB   THR  24           HB       THR  24   7.926  -0.589   5.818
  188    HG1  THR  24           HG1      THR  24   7.904  -2.784   7.345
  189   1HG2  THR  24          1HG2      THR  24   5.231  -1.582   6.906
  190   2HG2  THR  24          2HG2      THR  24   5.370  -0.532   5.508
  191   3HG2  THR  24          3HG2      THR  24   5.895   0.029   7.085
  192    H    LYS  25           H        LYS  25   4.794  -3.073   4.716
  193    HA   LYS  25           HA       LYS  25   4.529  -5.254   6.696
  194   1HB   LYS  25          1HB       LYS  25   2.655  -3.264   5.476
  195   2HB   LYS  25          2HB       LYS  25   1.967  -4.778   6.034
  196   1HG   LYS  25          2HG       LYS  25   3.020  -4.359   8.285
  197   2HG   LYS  25          1HG       LYS  25   3.709  -2.864   7.680
  198   1HD   LYS  25          2HD       LYS  25   1.470  -1.952   7.275
  199   2HD   LYS  25          1HD       LYS  25   0.720  -3.461   7.773
  200   1HE   LYS  25          2HE       LYS  25   1.697  -3.150  10.054
  201   2HE   LYS  25          1HE       LYS  25   2.421  -1.636   9.524
  202   1HZ   LYS  25          1HZ       LYS  25  -0.287  -1.593   8.849
  203   2HZ   LYS  25          2HZ       LYS  25   0.541  -0.620   9.967
  204   3HZ   LYS  25          3HZ       LYS  25  -0.159  -2.085  10.467
  205    H    HIS  26           H        HIS  26   4.647  -4.994   3.222
  206    HA   HIS  26           HA       HIS  26   3.487  -7.739   3.096
  207   1HB   HIS  26          1HB       HIS  26   3.260  -5.482   1.082
  208   2HB   HIS  26          2HB       HIS  26   2.718  -7.122   0.790
  209    HD1  HIS  26           HD1      HIS  26   1.231  -7.851   3.201
  210    HD2  HIS  26           HD2      HIS  26   1.059  -4.005   1.855
  211    HE1  HIS  26           HE1      HIS  26  -0.826  -6.875   4.146
  212    H    SER  27           H        SER  27   5.702  -5.590   1.539
  213    HA   SER  27           HA       SER  27   7.227  -7.978   0.531
  214   1HB   SER  27          2HB       SER  27   8.013  -6.501  -1.329
  215   2HB   SER  27          1HB       SER  27   6.246  -6.535  -1.256
  216    HG   SER  27           HG       SER  27   7.912  -4.471  -0.869
  217    H    LYS  28           H        LYS  28   9.524  -7.384  -0.022
  218    HA   LYS  28           HA       LYS  28  10.844  -5.952   2.249
  219   1HB   LYS  28          1HB       LYS  28  11.709  -8.520   0.815
  220   2HB   LYS  28          2HB       LYS  28  12.702  -7.663   1.970
  221   1HG   LYS  28          2HG       LYS  28   9.986  -8.891   2.597
  222   2HG   LYS  28          1HG       LYS  28  11.539  -9.596   3.000
  223   1HD   LYS  28          2HD       LYS  28  12.014  -7.358   4.275
  224   2HD   LYS  28          1HD       LYS  28  10.303  -7.032   4.096
  225   1HE   LYS  28          2HE       LYS  28  10.665  -8.097   6.262
  226   2HE   LYS  28          1HE       LYS  28   9.804  -9.235   5.234
  227   1HZ   LYS  28          1HZ       LYS  28  11.438 -10.659   5.496
  228   2HZ   LYS  28          2HZ       LYS  28  12.265  -9.561   6.495
  229   3HZ   LYS  28          3HZ       LYS  28  12.550  -9.565   4.823
  230    H    GLU  29           H        GLU  29  10.520  -4.227   0.695
  231    HA   GLU  29           HA       GLU  29  12.562  -4.155  -1.489
  232   1HB   GLU  29          1HB       GLU  29  10.199  -3.796  -2.161
  233   2HB   GLU  29          2HB       GLU  29  10.061  -2.443  -1.067
  234   1HG   GLU  29          2HG       GLU  29  11.921  -1.284  -2.327
  235   2HG   GLU  29          1HG       GLU  29  11.934  -2.628  -3.461
  236    H    LYS  30           H        LYS  30  11.320  -2.601   1.342
  237    HA   LYS  30           HA       LYS  30  12.048  -0.318   2.075
  238   1HB   LYS  30          1HB       LYS  30  13.497  -2.672   3.332
  239   2HB   LYS  30          2HB       LYS  30  13.347  -1.087   4.075
  240   1HG   LYS  30          2HG       LYS  30  10.847  -1.295   4.016
  241   2HG   LYS  30          1HG       LYS  30  10.999  -2.858   3.243
  242   1HD   LYS  30          2HD       LYS  30  10.556  -3.153   5.635
  243   2HD   LYS  30          1HD       LYS  30  12.138  -3.780   5.235
  244   1HE   LYS  30          2HE       LYS  30  12.198  -2.473   7.342
  245   2HE   LYS  30          1HE       LYS  30  13.198  -1.705   6.125
  246   1HZ   LYS  30          1HZ       LYS  30  11.056  -0.632   7.526
  247   2HZ   LYS  30          2HZ       LYS  30  10.580  -0.718   5.899
  248   3HZ   LYS  30          3HZ       LYS  30  12.001   0.108   6.328
  Start of MODEL   15
    1   1H    LYS   1          1H        LYS   1  -9.327  12.394  -1.856
    2   2H    LYS   1          2H        LYS   1  -9.740  11.654  -0.386
    3   3H    LYS   1          3H        LYS   1 -10.941  12.397  -1.328
    4    HA   LYS   1           HA       LYS   1 -11.337  10.522  -2.347
    5   1HB   LYS   1          2HB       LYS   1  -9.864  11.177  -4.114
    6   2HB   LYS   1          1HB       LYS   1  -8.427  10.960  -3.142
    7   1HG   LYS   1          2HG       LYS   1  -8.688   9.224  -4.897
    8   2HG   LYS   1          1HG       LYS   1  -8.593   8.548  -3.298
    9   1HD   LYS   1          2HD       LYS   1 -11.273   8.595  -3.440
   10   2HD   LYS   1          1HD       LYS   1 -10.975   8.777  -5.159
   11   1HE   LYS   1          2HE       LYS   1  -9.600   6.686  -5.134
   12   2HE   LYS   1          1HE       LYS   1  -9.895   6.532  -3.407
   13   1HZ   LYS   1          1HZ       LYS   1 -11.770   5.525  -3.825
   14   2HZ   LYS   1          2HZ       LYS   1 -11.497   5.656  -5.495
   15   3HZ   LYS   1          3HZ       LYS   1 -12.351   6.875  -4.674
   16    H    THR   2           H        THR   2  -8.084   9.896  -1.120
   17    HA   THR   2           HA       THR   2  -7.375   8.554   0.704
   18    HB   THR   2           HB       THR   2 -10.005   6.947   0.520
   19    HG1  THR   2           HG1      THR   2  -9.457   9.459   1.437
   20   1HG2  THR   2          1HG2      THR   2  -8.180   5.890   1.897
   21   2HG2  THR   2          2HG2      THR   2  -9.555   6.392   2.854
   22   3HG2  THR   2          3HG2      THR   2  -8.099   7.369   2.850
   23    H    TYR   3           H        TYR   3  -6.622   6.265   0.790
   24    HA   TYR   3           HA       TYR   3  -6.736   4.867  -1.842
   25   1HB   TYR   3          1HB       TYR   3  -4.220   5.343  -0.184
   26   2HB   TYR   3          2HB       TYR   3  -4.322   4.561  -1.754
   27    HD1  TYR   3           HD1      TYR   3  -5.139   5.943  -3.763
   28    HD2  TYR   3           HD2      TYR   3  -4.120   7.716  -0.027
   29    HE1  TYR   3           HE1      TYR   3  -4.982   8.138  -4.842
   30    HE2  TYR   3           HE2      TYR   3  -3.961   9.900  -1.106
   31    HH   TYR   3           HH       TYR   3  -4.434  10.275  -4.597
   32    H    GLN   4           H        GLN   4  -6.531   2.659  -1.726
   33    HA   GLN   4           HA       GLN   4  -6.745   1.438   0.995
   34   1HB   GLN   4          1HB       GLN   4  -8.868   1.307  -0.242
   35   2HB   GLN   4          2HB       GLN   4  -8.061   0.686  -1.661
   36   1HG   GLN   4          2HG       GLN   4  -9.226  -1.125  -0.517
   37   2HG   GLN   4          1HG       GLN   4  -7.511  -1.424  -0.420
   38   1HE2  GLN   4          2HE2      GLN   4 -10.194  -1.690   1.350
   39   2HE2  GLN   4          1HE2      GLN   4  -9.606  -1.434   2.924
   40    H    CYS   5           H        CYS   5  -5.946  -0.817   1.079
   41    HA   CYS   5           HA       CYS   5  -3.359  -1.025  -0.369
   42   1HB   CYS   5          1HB       CYS   5  -3.390  -1.327   2.051
   43   2HB   CYS   5          2HB       CYS   5  -4.556  -2.643   1.907
   44    H    GLN   6           H        GLN   6  -2.738  -2.907  -1.475
   45    HA   GLN   6           HA       GLN   6  -4.994  -4.504  -2.642
   46   1HB   GLN   6          1HB       GLN   6  -3.822  -2.892  -4.176
   47   2HB   GLN   6          2HB       GLN   6  -2.299  -3.679  -3.842
   48   1HG   GLN   6          2HG       GLN   6  -3.330  -4.332  -6.035
   49   2HG   GLN   6          1HG       GLN   6  -3.026  -5.723  -5.022
   50   1HE2  GLN   6          2HE2      GLN   6  -4.746  -7.123  -4.936
   51   2HE2  GLN   6          1HE2      GLN   6  -6.378  -6.708  -5.151
   52    H    TYR   7           H        TYR   7  -3.693  -5.074  -0.226
   53    HA   TYR   7           HA       TYR   7  -2.632  -7.798  -0.782
   54   1HB   TYR   7          1HB       TYR   7  -1.394  -5.720   1.080
   55   2HB   TYR   7          2HB       TYR   7  -0.877  -7.397   0.990
   56    HD1  TYR   7           HD1      TYR   7  -0.030  -8.283  -1.267
   57    HD2  TYR   7           HD2      TYR   7  -0.573  -4.122  -0.514
   58    HE1  TYR   7           HE1      TYR   7   1.404  -7.742  -3.178
   59    HE2  TYR   7           HE2      TYR   7   0.859  -3.592  -2.425
   60    HH   TYR   7           HH       TYR   7   2.090  -4.374  -4.079
   61    H    CYS   8           H        CYS   8  -3.402  -5.527   1.781
   62    HA   CYS   8           HA       CYS   8  -5.233  -7.532   3.046
   63   1HB   CYS   8          1HB       CYS   8  -4.572  -6.707   5.209
   64   2HB   CYS   8          2HB       CYS   8  -3.095  -7.075   4.326
   65    H    GLU   9           H        GLU   9  -6.208  -5.772   4.938
   66    HA   GLU   9           HA       GLU   9  -7.855  -3.909   3.276
   67   1HB   GLU   9          1HB       GLU   9  -9.538  -4.172   5.151
   68   2HB   GLU   9          2HB       GLU   9  -9.173  -5.673   4.331
   69   1HG   GLU   9          2HG       GLU   9  -7.594  -6.304   6.164
   70   2HG   GLU   9          1HG       GLU   9  -7.927  -4.798   6.989
   71    H    PHE  10           H        PHE  10  -5.639  -2.852   3.636
   72    HA   PHE  10           HA       PHE  10  -5.666  -1.083   6.046
   73   1HB   PHE  10          1HB       PHE  10  -3.601  -2.299   5.817
   74   2HB   PHE  10          2HB       PHE  10  -3.387  -1.839   4.135
   75    HD1  PHE  10           HD1      PHE  10  -3.280  -0.653   7.642
   76    HD2  PHE  10           HD2      PHE  10  -2.636   0.431   3.571
   77    HE1  PHE  10           HE1      PHE  10  -2.133   1.391   8.366
   78    HE2  PHE  10           HE2      PHE  10  -1.503   2.517   4.330
   79    HZ   PHE  10           HZ       PHE  10  -1.253   2.980   6.678
   80    H    ARG  11           H        ARG  11  -6.856   0.549   5.562
   81    HA   ARG  11           HA       ARG  11  -6.522   1.998   2.968
   82   1HB   ARG  11          1HB       ARG  11  -8.775   3.064   3.684
   83   2HB   ARG  11          2HB       ARG  11  -8.818   1.397   3.179
   84   1HG   ARG  11          2HG       ARG  11  -8.654   0.790   5.721
   85   2HG   ARG  11          1HG       ARG  11  -8.926   2.492   6.036
   86   1HD   ARG  11          2HD       ARG  11 -11.064   1.214   6.096
   87   2HD   ARG  11          1HD       ARG  11 -11.069   2.359   4.755
   88    HE   ARG  11           HE       ARG  11 -10.505   0.454   3.245
   89   1HH1  ARG  11          2HH2      ARG  11 -13.209  -0.068   4.278
   90   2HH1  ARG  11          1HH2      ARG  11 -13.105  -1.701   4.841
   91   1HH2  ARG  11          1HH1      ARG  11  -9.592  -1.654   4.889
   92   2HH2  ARG  11          2HH1      ARG  11 -10.991  -2.624   5.203
   93    H    SER  12           H        SER  12  -5.767   3.985   3.017
   94    HA   SER  12           HA       SER  12  -5.454   5.485   5.578
   95   1HB   SER  12          2HB       SER  12  -3.194   5.024   3.565
   96   2HB   SER  12          1HB       SER  12  -2.909   5.631   5.146
   97    HG   SER  12           HG       SER  12  -3.109   3.816   6.013
   98    H    ALA  13           H        ALA  13  -4.989   7.797   5.194
   99    HA   ALA  13           HA       ALA  13  -5.981   8.721   2.512
  100   1HB   ALA  13          1HB       ALA  13  -7.146  10.560   3.736
  101   2HB   ALA  13          2HB       ALA  13  -6.558   9.911   5.263
  102   3HB   ALA  13          3HB       ALA  13  -7.703   8.997   4.297
  103    H    ASP  14           H        ASP  14  -3.317   8.399   2.881
  104    HA   ASP  14           HA       ASP  14  -2.362  11.240   3.014
  105   1HB   ASP  14          1HB       ASP  14  -1.559  10.023   4.980
  106   2HB   ASP  14          2HB       ASP  14  -0.950   8.729   3.958
  107    H    SER  15           H        SER  15  -1.372   8.093   1.920
  108    HA   SER  15           HA       SER  15  -1.142   7.443  -0.414
  109   1HB   SER  15          2HB       SER  15   0.309  10.187  -0.742
  110   2HB   SER  15          1HB       SER  15   0.172   8.958  -1.998
  111    HG   SER  15           HG       SER  15  -1.628  10.760  -1.292
  112    H    SER  16           H        SER  16   1.549   9.405   0.926
  113    HA   SER  16           HA       SER  16   3.601   7.546   0.264
  114   1HB   SER  16          2HB       SER  16   4.191   9.804   1.168
  115   2HB   SER  16          1HB       SER  16   3.458   9.400   2.723
  116    HG   SER  16           HG       SER  16   5.090   7.403   2.249
  117    H    ASN  17           H        ASN  17   1.805   8.018   3.212
  118    HA   ASN  17           HA       ASN  17   2.540   6.008   4.887
  119   1HB   ASN  17          1HB       ASN  17   0.697   7.677   5.323
  120   2HB   ASN  17          2HB       ASN  17  -0.359   6.742   4.281
  121   1HD2  ASN  17          2HD2      ASN  17   1.585   4.527   6.018
  122   2HD2  ASN  17          1HD2      ASN  17   0.485   4.219   7.274
  123    H    LEU  18           H        LEU  18   0.154   5.635   2.245
  124    HA   LEU  18           HA       LEU  18  -0.189   2.829   2.699
  125   1HB   LEU  18          1HB       LEU  18  -1.861   4.190   1.504
  126   2HB   LEU  18          2HB       LEU  18  -0.688   4.562   0.239
  127    HG   LEU  18           HG       LEU  18  -0.621   2.194  -0.453
  128   1HD1  LEU  18          1HD1      LEU  18  -1.099   1.147   1.793
  129   2HD1  LEU  18          2HD1      LEU  18  -2.179   0.547   0.558
  130   3HD1  LEU  18          3HD1      LEU  18  -2.745   1.749   1.701
  131   1HD2  LEU  18          1HD2      LEU  18  -2.895   2.071  -1.358
  132   2HD2  LEU  18          2HD2      LEU  18  -2.351   3.735  -1.397
  133   3HD2  LEU  18          3HD2      LEU  18  -3.479   3.206  -0.148
  134    H    LYS  19           H        LYS  19   1.773   4.495   0.232
  135    HA   LYS  19           HA       LYS  19   2.813   2.108  -0.951
  136   1HB   LYS  19          1HB       LYS  19   4.287   4.785  -0.513
  137   2HB   LYS  19          2HB       LYS  19   4.721   3.597  -1.724
  138   1HG   LYS  19          2HG       LYS  19   2.643   3.974  -2.951
  139   2HG   LYS  19          1HG       LYS  19   2.028   5.025  -1.695
  140   1HD   LYS  19          2HD       LYS  19   3.959   6.592  -2.103
  141   2HD   LYS  19          1HD       LYS  19   4.515   5.547  -3.399
  142   1HE   LYS  19          2HE       LYS  19   3.191   7.412  -4.322
  143   2HE   LYS  19          1HE       LYS  19   2.339   5.897  -4.587
  144   1HZ   LYS  19          1HZ       LYS  19   0.638   6.696  -3.472
  145   2HZ   LYS  19          2HZ       LYS  19   1.458   8.159  -3.224
  146   3HZ   LYS  19          3HZ       LYS  19   1.590   6.910  -2.085
  147    H    THR  20           H        THR  20   4.093   4.007   1.672
  148    HA   THR  20           HA       THR  20   6.349   2.398   2.227
  149    HB   THR  20           HB       THR  20   4.615   4.039   4.251
  150    HG1  THR  20           HG1      THR  20   5.295   5.687   3.040
  151   1HG2  THR  20          1HG2      THR  20   6.650   2.700   5.191
  152   2HG2  THR  20          2HG2      THR  20   6.820   4.439   5.355
  153   3HG2  THR  20          3HG2      THR  20   7.660   3.593   4.065
  154    H    HIS  21           H        HIS  21   3.063   2.314   3.639
  155    HA   HIS  21           HA       HIS  21   3.262   0.129   5.305
  156   1HB   HIS  21          1HB       HIS  21   1.169   1.324   5.186
  157   2HB   HIS  21          2HB       HIS  21   0.995   1.070   3.465
  158    HD1  HIS  21           HD1      HIS  21   0.637  -0.829   6.659
  159    HD2  HIS  21           HD2      HIS  21  -0.113  -1.325   2.675
  160    HE1  HIS  21           HE1      HIS  21  -0.715  -2.890   6.457
  161    H    ILE  22           H        ILE  22   2.471  -0.025   1.791
  162    HA   ILE  22           HA       ILE  22   2.429  -2.805   1.540
  163    HB   ILE  22           HB       ILE  22   3.344  -0.679  -0.445
  164   1HG1  ILE  22          2HG1      ILE  22   0.706  -2.196  -0.168
  165   2HG1  ILE  22          1HG1      ILE  22   0.962  -0.603   0.503
  166   1HG2  ILE  22          1HG2      ILE  22   2.954  -2.445  -2.202
  167   2HG2  ILE  22          2HG2      ILE  22   2.646  -3.612  -0.928
  168   3HG2  ILE  22          3HG2      ILE  22   4.239  -2.915  -1.125
  169   1HD1  ILE  22          1HD       ILE  22   1.436   0.285  -1.764
  170   2HD1  ILE  22          2HD       ILE  22  -0.162  -0.437  -1.671
  171   3HD1  ILE  22          3HD       ILE  22   1.147  -1.303  -2.455
  172    H    LYS  23           H        LYS  23   5.308  -0.734   1.156
  173    HA   LYS  23           HA       LYS  23   7.067  -2.950   0.654
  174   1HB   LYS  23          1HB       LYS  23   7.692  -0.166   1.709
  175   2HB   LYS  23          2HB       LYS  23   8.883  -1.274   1.053
  176   1HG   LYS  23          2HG       LYS  23   6.488  -0.156  -0.487
  177   2HG   LYS  23          1HG       LYS  23   8.135   0.422  -0.631
  178   1HD   LYS  23          2HD       LYS  23   8.855  -1.822  -1.455
  179   2HD   LYS  23          1HD       LYS  23   7.208  -2.413  -1.305
  180   1HE   LYS  23          2HE       LYS  23   7.650  -1.805  -3.627
  181   2HE   LYS  23          1HE       LYS  23   6.411  -0.762  -2.952
  182   1HZ   LYS  23          1HZ       LYS  23   8.823  -0.038  -4.116
  183   2HZ   LYS  23          2HZ       LYS  23   8.930   0.378  -2.472
  184   3HZ   LYS  23          3HZ       LYS  23   7.653   0.975  -3.418
  185    H    THR  24           H        THR  24   6.320  -1.335   3.672
  186    HA   THR  24           HA       THR  24   8.260  -2.832   5.233
  187    HB   THR  24           HB       THR  24   5.993  -0.967   6.115
  188    HG1  THR  24           HG1      THR  24   8.490  -0.076   6.333
  189   1HG2  THR  24          1HG2      THR  24   8.573  -1.835   7.554
  190   2HG2  THR  24          2HG2      THR  24   6.984  -2.433   8.005
  191   3HG2  THR  24          3HG2      THR  24   7.358  -0.728   8.179
  192    H    LYS  25           H        LYS  25   4.758  -3.069   4.825
  193    HA   LYS  25           HA       LYS  25   4.545  -5.272   6.750
  194   1HB   LYS  25          1HB       LYS  25   2.505  -3.744   5.083
  195   2HB   LYS  25          2HB       LYS  25   2.060  -5.100   6.107
  196   1HG   LYS  25          2HG       LYS  25   3.412  -2.529   7.039
  197   2HG   LYS  25          1HG       LYS  25   1.704  -2.871   7.189
  198   1HD   LYS  25          2HD       LYS  25   2.318  -4.925   8.585
  199   2HD   LYS  25          1HD       LYS  25   3.980  -4.363   8.576
  200   1HE   LYS  25          2HE       LYS  25   2.920  -3.580  10.621
  201   2HE   LYS  25          1HE       LYS  25   3.207  -2.182   9.595
  202   1HZ   LYS  25          1HZ       LYS  25   1.056  -1.753   9.625
  203   2HZ   LYS  25          2HZ       LYS  25   0.797  -3.083  10.649
  204   3HZ   LYS  25          3HZ       LYS  25   0.701  -3.277   8.967
  205    H    HIS  26           H        HIS  26   4.130  -4.674   3.299
  206    HA   HIS  26           HA       HIS  26   3.901  -7.640   2.881
  207   1HB   HIS  26          1HB       HIS  26   3.155  -5.390   0.938
  208   2HB   HIS  26          2HB       HIS  26   2.834  -7.102   0.750
  209    HD1  HIS  26           HD1      HIS  26   1.404  -8.026   3.004
  210    HD2  HIS  26           HD2      HIS  26   0.998  -4.082   2.034
  211    HE1  HIS  26           HE1      HIS  26  -0.682  -7.252   4.081
  212    H    SER  27           H        SER  27   6.211  -7.225   3.481
  213    HA   SER  27           HA       SER  27   8.449  -6.465   2.718
  214   1HB   SER  27          2HB       SER  27   7.782  -9.355   2.034
  215   2HB   SER  27          1HB       SER  27   9.408  -8.728   2.332
  216    HG   SER  27           HG       SER  27   7.768  -7.867   4.263
  217    H    LYS  28           H        LYS  28   8.550  -5.074   1.131
  218    HA   LYS  28           HA       LYS  28   8.242  -4.337  -1.171
  219   1HB   LYS  28          1HB       LYS  28  10.386  -3.886  -0.154
  220   2HB   LYS  28          2HB       LYS  28  11.001  -5.458  -0.616
  221   1HG   LYS  28          2HG       LYS  28  10.772  -4.832  -3.041
  222   2HG   LYS  28          1HG       LYS  28  10.134  -3.270  -2.577
  223   1HD   LYS  28          2HD       LYS  28  12.913  -4.325  -1.880
  224   2HD   LYS  28          1HD       LYS  28  12.566  -3.212  -3.185
  225   1HE   LYS  28          2HE       LYS  28  12.126  -2.658  -0.207
  226   2HE   LYS  28          1HE       LYS  28  13.392  -1.981  -1.210
  227   1HZ   LYS  28          1HZ       LYS  28  12.038  -0.376  -1.792
  228   2HZ   LYS  28          2HZ       LYS  28  10.806  -1.037  -0.828
  229   3HZ   LYS  28          3HZ       LYS  28  10.940  -1.483  -2.460
  230    H    GLU  29           H        GLU  29  10.117  -7.252  -1.446
  231    HA   GLU  29           HA       GLU  29   8.851  -7.770  -4.111
  232   1HB   GLU  29          1HB       GLU  29  10.942  -9.017  -4.671
  233   2HB   GLU  29          2HB       GLU  29  11.190  -7.317  -4.336
  234   1HG   GLU  29          2HG       GLU  29  11.905  -7.956  -1.969
  235   2HG   GLU  29          1HG       GLU  29  11.756  -9.644  -2.424
  236    H    LYS  30           H        LYS  30  10.166  -9.624  -1.400
  237    HA   LYS  30           HA       LYS  30   9.978 -12.116  -1.442
  238   1HB   LYS  30          1HB       LYS  30   9.518 -10.859   0.660
  239   2HB   LYS  30          2HB       LYS  30   7.825 -10.766   0.218
  240   1HG   LYS  30          2HG       LYS  30   7.686 -13.276   0.234
  241   2HG   LYS  30          1HG       LYS  30   9.396 -13.373   0.596
  242   1HD   LYS  30          2HD       LYS  30   8.216 -13.691   2.671
  243   2HD   LYS  30          1HD       LYS  30   8.915 -12.086   2.744
  244   1HE   LYS  30          2HE       LYS  30   6.699 -11.115   2.037
  245   2HE   LYS  30          1HE       LYS  30   6.030 -12.739   1.998
  246   1HZ   LYS  30          1HZ       LYS  30   7.288 -12.391   4.461
  247   2HZ   LYS  30          2HZ       LYS  30   5.632 -12.572   4.132
  248   3HZ   LYS  30          3HZ       LYS  30   6.331 -11.021   4.177
  Start of MODEL   16
    1   1H    LYS   1          1H        LYS   1 -12.078  10.474  -3.655
    2   2H    LYS   1          2H        LYS   1 -11.372  10.989  -2.199
    3   3H    LYS   1          3H        LYS   1 -13.043  10.717  -2.279
    4    HA   LYS   1           HA       LYS   1 -12.773   8.643  -1.660
    5   1HB   LYS   1          2HB       LYS   1 -11.678   7.044  -3.194
    6   2HB   LYS   1          1HB       LYS   1 -12.616   8.213  -4.094
    7   1HG   LYS   1          2HG       LYS   1 -10.621   9.465  -4.733
    8   2HG   LYS   1          1HG       LYS   1  -9.607   8.533  -3.651
    9   1HD   LYS   1          2HD       LYS   1  -9.337   7.745  -5.964
   10   2HD   LYS   1          1HD       LYS   1 -10.019   6.488  -4.958
   11   1HE   LYS   1          2HE       LYS   1 -12.309   7.048  -5.821
   12   2HE   LYS   1          1HE       LYS   1 -11.609   8.303  -6.834
   13   1HZ   LYS   1          1HZ       LYS   1 -10.214   5.920  -7.266
   14   2HZ   LYS   1          2HZ       LYS   1 -11.201   6.783  -8.346
   15   3HZ   LYS   1          3HZ       LYS   1 -11.877   5.585  -7.350
   16    H    THR   2           H        THR   2 -10.873   6.855  -1.431
   17    HA   THR   2           HA       THR   2  -8.655   8.144   0.120
   18    HB   THR   2           HB       THR   2  -8.861   6.187   1.718
   19    HG1  THR   2           HG1      THR   2  -9.771   4.506   0.875
   20   1HG2  THR   2          1HG2      THR   2 -10.540   8.135   2.049
   21   2HG2  THR   2          2HG2      THR   2 -11.169   6.577   2.568
   22   3HG2  THR   2          3HG2      THR   2 -11.672   7.253   1.032
   23    H    TYR   3           H        TYR   3  -6.982   6.181   0.558
   24    HA   TYR   3           HA       TYR   3  -6.237   5.023  -2.072
   25   1HB   TYR   3          1HB       TYR   3  -4.431   5.746   0.297
   26   2HB   TYR   3          2HB       TYR   3  -3.922   5.284  -1.320
   27    HD1  TYR   3           HD1      TYR   3  -5.545   6.959  -3.097
   28    HD2  TYR   3           HD2      TYR   3  -3.780   7.937   0.652
   29    HE1  TYR   3           HE1      TYR   3  -5.492   9.319  -3.739
   30    HE2  TYR   3           HE2      TYR   3  -3.730  10.301   0.011
   31    HH   TYR   3           HH       TYR   3  -4.337  11.815  -1.498
   32    H    GLN   4           H        GLN   4  -6.471   2.921  -2.026
   33    HA   GLN   4           HA       GLN   4  -6.725   1.464   0.562
   34   1HB   GLN   4          1HB       GLN   4  -8.693   1.435  -0.884
   35   2HB   GLN   4          2HB       GLN   4  -7.740   0.903  -2.243
   36   1HG   GLN   4          2HG       GLN   4  -8.964  -1.012  -1.421
   37   2HG   GLN   4          1HG       GLN   4  -7.288  -1.274  -0.998
   38   1HE2  GLN   4          1HE2      GLN   4  -7.089  -2.040   1.091
   39   2HE2  GLN   4          2HE2      GLN   4  -8.106  -1.648   2.393
   40    H    CYS   5           H        CYS   5  -5.853  -0.537   0.819
   41    HA   CYS   5           HA       CYS   5  -3.308  -1.072  -0.653
   42   1HB   CYS   5          1HB       CYS   5  -3.158  -0.823   1.831
   43   2HB   CYS   5          2HB       CYS   5  -4.371  -2.088   2.025
   44    H    GLN   6           H        GLN   6  -3.187  -2.927  -1.806
   45    HA   GLN   6           HA       GLN   6  -5.608  -4.676  -1.908
   46   1HB   GLN   6          1HB       GLN   6  -4.986  -5.134  -4.251
   47   2HB   GLN   6          2HB       GLN   6  -5.179  -3.423  -3.986
   48   1HG   GLN   6          2HG       GLN   6  -2.394  -4.617  -3.817
   49   2HG   GLN   6          1HG       GLN   6  -3.098  -4.309  -5.384
   50   1HE2  GLN   6          2HE2      GLN   6  -3.152  -2.160  -6.127
   51   2HE2  GLN   6          1HE2      GLN   6  -2.540  -0.842  -5.252
   52    H    TYR   7           H        TYR   7  -3.732  -5.048   0.014
   53    HA   TYR   7           HA       TYR   7  -2.624  -7.738  -0.667
   54   1HB   TYR   7          1HB       TYR   7  -1.327  -5.647   1.111
   55   2HB   TYR   7          2HB       TYR   7  -0.605  -7.176   0.630
   56    HD1  TYR   7           HD1      TYR   7  -0.636  -7.479  -2.123
   57    HD2  TYR   7           HD2      TYR   7  -0.570  -3.776  -0.025
   58    HE1  TYR   7           HE1      TYR   7   0.286  -6.355  -4.105
   59    HE2  TYR   7           HE2      TYR   7   0.339  -2.670  -1.998
   60    HH   TYR   7           HH       TYR   7   1.000  -2.882  -4.083
   61    H    CYS   8           H        CYS   8  -3.363  -5.441   1.906
   62    HA   CYS   8           HA       CYS   8  -4.706  -7.601   3.493
   63   1HB   CYS   8          1HB       CYS   8  -3.953  -6.545   5.516
   64   2HB   CYS   8          2HB       CYS   8  -2.535  -6.757   4.497
   65    H    GLU   9           H        GLU   9  -5.672  -5.775   5.436
   66    HA   GLU   9           HA       GLU   9  -7.805  -4.377   3.875
   67   1HB   GLU   9          1HB       GLU   9  -7.789  -5.415   6.740
   68   2HB   GLU   9          2HB       GLU   9  -9.154  -4.616   5.979
   69   1HG   GLU   9          2HG       GLU   9  -9.234  -6.422   4.245
   70   2HG   GLU   9          1HG       GLU   9  -7.898  -7.240   5.039
   71    H    PHE  10           H        PHE  10  -5.674  -2.936   3.852
   72    HA   PHE  10           HA       PHE  10  -5.859  -0.911   6.060
   73   1HB   PHE  10          1HB       PHE  10  -3.598  -1.908   5.697
   74   2HB   PHE  10          2HB       PHE  10  -3.590  -1.316   4.047
   75    HD1  PHE  10           HD1      PHE  10  -3.594  -0.296   7.610
   76    HD2  PHE  10           HD2      PHE  10  -3.182   1.051   3.593
   77    HE1  PHE  10           HE1      PHE  10  -2.772   1.866   8.420
   78    HE2  PHE  10           HE2      PHE  10  -2.365   3.239   4.424
   79    HZ   PHE  10           HZ       PHE  10  -2.165   3.637   6.819
   80    H    ARG  11           H        ARG  11  -6.955   0.793   5.586
   81    HA   ARG  11           HA       ARG  11  -6.948   1.977   2.847
   82   1HB   ARG  11          1HB       ARG  11  -9.412   2.510   3.229
   83   2HB   ARG  11          2HB       ARG  11  -9.040   0.811   3.045
   84   1HG   ARG  11          2HG       ARG  11  -9.027   0.607   5.577
   85   2HG   ARG  11          1HG       ARG  11  -9.683   2.235   5.637
   86   1HD   ARG  11          2HD       ARG  11 -11.656   1.579   4.341
   87   2HD   ARG  11          1HD       ARG  11 -10.987  -0.011   4.027
   88    HE   ARG  11           HE       ARG  11 -12.603  -0.107   5.915
   89   1HH1  ARG  11          1HH1      ARG  11  -9.833  -1.171   6.716
   90   2HH1  ARG  11          2HH1      ARG  11  -9.699  -0.510   8.308
   91   1HH2  ARG  11          1HH2      ARG  11 -12.303   1.776   7.820
   92   2HH2  ARG  11          2HH2      ARG  11 -11.118   1.198   8.945
   93    H    SER  12           H        SER  12  -6.051   3.878   3.014
   94    HA   SER  12           HA       SER  12  -6.638   5.677   5.315
   95   1HB   SER  12          2HB       SER  12  -3.929   4.748   4.318
   96   2HB   SER  12          1HB       SER  12  -4.029   6.119   5.374
   97    HG   SER  12           HG       SER  12  -4.548   3.465   5.886
   98    H    ALA  13           H        ALA  13  -5.498   7.919   4.778
   99    HA   ALA  13           HA       ALA  13  -5.990   8.514   1.871
  100   1HB   ALA  13          1HB       ALA  13  -7.001  10.665   2.604
  101   2HB   ALA  13          2HB       ALA  13  -6.766  10.215   4.287
  102   3HB   ALA  13          3HB       ALA  13  -7.879   9.304   3.282
  103    H    ASP  14           H        ASP  14  -3.519   7.866   3.001
  104    HA   ASP  14           HA       ASP  14  -2.043  10.424   2.563
  105   1HB   ASP  14          1HB       ASP  14  -2.160   9.665   5.093
  106   2HB   ASP  14          2HB       ASP  14  -1.101   8.379   4.622
  107    H    SER  15           H        SER  15  -1.705   9.623   0.394
  108    HA   SER  15           HA       SER  15  -0.776   7.149  -0.395
  109   1HB   SER  15          2HB       SER  15  -1.195   9.084  -1.993
  110   2HB   SER  15          1HB       SER  15   0.302   9.843  -1.430
  111    HG   SER  15           HG       SER  15   0.758   7.259  -2.015
  112    H    SER  16           H        SER  16   1.366   9.786   0.656
  113    HA   SER  16           HA       SER  16   3.847   8.553   0.485
  114   1HB   SER  16          2HB       SER  16   2.903  10.404   2.742
  115   2HB   SER  16          1HB       SER  16   4.588  10.086   2.309
  116    HG   SER  16           HG       SER  16   2.874  11.753   1.171
  117    H    ASN  17           H        ASN  17   1.508   8.193   3.167
  118    HA   ASN  17           HA       ASN  17   3.292   6.426   4.638
  119   1HB   ASN  17          1HB       ASN  17   1.566   7.814   5.801
  120   2HB   ASN  17          2HB       ASN  17   0.304   6.934   4.953
  121   1HD2  ASN  17          2HD2      ASN  17  -0.584   5.303   6.173
  122   2HD2  ASN  17          1HD2      ASN  17   0.233   4.418   7.369
  123    H    LEU  18           H        LEU  18   0.357   5.982   2.659
  124    HA   LEU  18           HA       LEU  18   0.050   3.238   2.933
  125   1HB   LEU  18          1HB       LEU  18  -1.553   4.721   1.703
  126   2HB   LEU  18          2HB       LEU  18  -0.377   4.928   0.409
  127    HG   LEU  18           HG       LEU  18  -0.513   2.498  -0.128
  128   1HD1  LEU  18          1HD1      LEU  18  -2.259   1.105   0.942
  129   2HD1  LEU  18          2HD1      LEU  18  -2.679   2.434   2.015
  130   3HD1  LEU  18          3HD1      LEU  18  -1.114   1.646   2.155
  131   1HD2  LEU  18          1HD2      LEU  18  -2.819   2.528  -1.015
  132   2HD2  LEU  18          2HD2      LEU  18  -2.070   4.104  -1.209
  133   3HD2  LEU  18          3HD2      LEU  18  -3.229   3.828   0.093
  134    H    LYS  19           H        LYS  19   2.101   4.814   0.471
  135    HA   LYS  19           HA       LYS  19   2.982   2.372  -0.698
  136   1HB   LYS  19          1HB       LYS  19   4.947   3.714  -1.561
  137   2HB   LYS  19          2HB       LYS  19   3.430   4.555  -1.789
  138   1HG   LYS  19          2HG       LYS  19   3.859   5.986   0.146
  139   2HG   LYS  19          1HG       LYS  19   5.307   5.101   0.566
  140   1HD   LYS  19          2HD       LYS  19   5.971   7.154  -0.491
  141   2HD   LYS  19          1HD       LYS  19   6.407   5.802  -1.511
  142   1HE   LYS  19          2HE       LYS  19   3.845   7.375  -1.967
  143   2HE   LYS  19          1HE       LYS  19   5.375   7.834  -2.695
  144   1HZ   LYS  19          1HZ       LYS  19   5.020   5.107  -3.119
  145   2HZ   LYS  19          2HZ       LYS  19   5.038   6.362  -4.258
  146   3HZ   LYS  19          3HZ       LYS  19   3.572   5.886  -3.543
  147    H    THR  20           H        THR  20   4.363   4.223   1.989
  148    HA   THR  20           HA       THR  20   6.585   2.473   2.388
  149    HB   THR  20           HB       THR  20   5.060   4.221   4.476
  150    HG1  THR  20           HG1      THR  20   5.728   5.584   2.938
  151   1HG2  THR  20          1HG2      THR  20   6.921   2.636   5.383
  152   2HG2  THR  20          2HG2      THR  20   7.301   4.342   5.560
  153   3HG2  THR  20          3HG2      THR  20   8.026   3.407   4.262
  154    H    HIS  21           H        HIS  21   3.307   2.460   3.718
  155    HA   HIS  21           HA       HIS  21   3.500   0.251   5.447
  156   1HB   HIS  21          1HB       HIS  21   1.426   1.492   5.481
  157   2HB   HIS  21          2HB       HIS  21   1.196   1.371   3.753
  158    HD1  HIS  21           HD1      HIS  21   0.856  -0.736   6.820
  159    HD2  HIS  21           HD2      HIS  21   0.089  -0.978   2.817
  160    HE1  HIS  21           HE1      HIS  21  -0.491  -2.786   6.493
  161    H    ILE  22           H        ILE  22   2.490   0.271   2.007
  162    HA   ILE  22           HA       ILE  22   2.292  -2.406   1.476
  163    HB   ILE  22           HB       ILE  22   3.382  -0.151  -0.276
  164   1HG1  ILE  22          2HG1      ILE  22   0.679  -1.565  -0.148
  165   2HG1  ILE  22          1HG1      ILE  22   0.996  -0.020   0.587
  166   1HG2  ILE  22          1HG2      ILE  22   2.974  -1.656  -2.229
  167   2HG2  ILE  22          2HG2      ILE  22   2.554  -2.965  -1.138
  168   3HG2  ILE  22          3HG2      ILE  22   4.191  -2.342  -1.185
  169   1HD1  ILE  22          1HD       ILE  22   1.161  -0.572  -2.402
  170   2HD1  ILE  22          2HD       ILE  22   1.494   0.971  -1.637
  171   3HD1  ILE  22          3HD       ILE  22  -0.120   0.293  -1.577
  172    H    LYS  23           H        LYS  23   5.392  -0.588   1.265
  173    HA   LYS  23           HA       LYS  23   6.895  -2.934   0.614
  174   1HB   LYS  23          1HB       LYS  23   7.676  -0.296   1.911
  175   2HB   LYS  23          2HB       LYS  23   8.871  -1.514   1.512
  176   1HG   LYS  23          2HG       LYS  23   6.902  -0.361  -0.524
  177   2HG   LYS  23          1HG       LYS  23   8.498   0.303  -0.249
  178   1HD   LYS  23          2HD       LYS  23   9.601  -1.704  -0.974
  179   2HD   LYS  23          1HD       LYS  23   8.131  -2.652  -0.964
  180   1HE   LYS  23          2HE       LYS  23   8.685  -0.314  -2.830
  181   2HE   LYS  23          1HE       LYS  23   8.747  -2.014  -3.262
  182   1HZ   LYS  23          1HZ       LYS  23   6.592  -1.964  -3.634
  183   2HZ   LYS  23          2HZ       LYS  23   6.526  -0.326  -3.186
  184   3HZ   LYS  23          3HZ       LYS  23   6.294  -1.534  -2.019
  185    H    THR  24           H        THR  24   6.566  -1.315   3.729
  186    HA   THR  24           HA       THR  24   8.017  -3.023   5.365
  187    HB   THR  24           HB       THR  24   5.497  -1.429   6.089
  188    HG1  THR  24           HG1      THR  24   6.944  -0.213   5.074
  189   1HG2  THR  24          1HG2      THR  24   6.622  -1.237   8.298
  190   2HG2  THR  24          2HG2      THR  24   8.031  -2.106   7.719
  191   3HG2  THR  24          3HG2      THR  24   6.515  -2.954   7.974
  192    H    LYS  25           H        LYS  25   4.575  -3.360   4.678
  193    HA   LYS  25           HA       LYS  25   4.423  -5.877   6.217
  194   1HB   LYS  25          1HB       LYS  25   2.337  -4.104   4.927
  195   2HB   LYS  25          2HB       LYS  25   1.922  -5.695   5.544
  196   1HG   LYS  25          2HG       LYS  25   1.414  -4.195   7.298
  197   2HG   LYS  25          1HG       LYS  25   2.924  -4.944   7.772
  198   1HD   LYS  25          2HD       LYS  25   4.206  -2.993   7.072
  199   2HD   LYS  25          1HD       LYS  25   2.779  -2.225   6.401
  200   1HE   LYS  25          2HE       LYS  25   3.212  -2.932   9.337
  201   2HE   LYS  25          1HE       LYS  25   3.350  -1.321   8.647
  202   1HZ   LYS  25          1HZ       LYS  25   1.203  -1.053   8.908
  203   2HZ   LYS  25          2HZ       LYS  25   1.059  -2.609   9.569
  204   3HZ   LYS  25          3HZ       LYS  25   0.875  -2.376   7.896
  205    H    HIS  26           H        HIS  26   4.230  -4.822   2.897
  206    HA   HIS  26           HA       HIS  26   3.883  -7.657   2.031
  207   1HB   HIS  26          1HB       HIS  26   3.097  -5.156   0.445
  208   2HB   HIS  26          2HB       HIS  26   2.610  -6.810   0.163
  209    HD1  HIS  26           HD1      HIS  26   1.456  -7.786   2.619
  210    HD2  HIS  26           HD2      HIS  26   1.032  -3.819   1.753
  211    HE1  HIS  26           HE1      HIS  26  -0.455  -6.981   3.953
  212    H    SER  27           H        SER  27   6.091  -7.675   2.490
  213    HA   SER  27           HA       SER  27   8.042  -6.349   0.742
  214   1HB   SER  27          2HB       SER  27   8.427  -8.624   2.767
  215   2HB   SER  27          1HB       SER  27   9.709  -7.631   2.059
  216    HG   SER  27           HG       SER  27   8.013  -5.906   3.032
  217    H    LYS  28           H        LYS  28   7.009  -7.100  -1.130
  218    HA   LYS  28           HA       LYS  28   7.665  -8.317  -3.138
  219   1HB   LYS  28          1HB       LYS  28   7.446 -10.807  -1.337
  220   2HB   LYS  28          2HB       LYS  28   7.548 -10.880  -3.072
  221   1HG   LYS  28          2HG       LYS  28   9.761  -9.874  -3.099
  222   2HG   LYS  28          1HG       LYS  28   9.761  -9.646  -1.370
  223   1HD   LYS  28          2HD       LYS  28   9.655 -12.324  -2.841
  224   2HD   LYS  28          1HD       LYS  28  11.045 -11.677  -1.998
  225   1HE   LYS  28          2HE       LYS  28   9.657 -11.723   0.159
  226   2HE   LYS  28          1HE       LYS  28   8.415 -12.587  -0.744
  227   1HZ   LYS  28          1HZ       LYS  28   9.496 -14.443  -0.423
  228   2HZ   LYS  28          2HZ       LYS  28  10.705 -13.619   0.439
  229   3HZ   LYS  28          3HZ       LYS  28  10.859 -13.840  -1.238
  230    H    GLU  29           H        GLU  29   5.682 -10.022  -0.911
  231    HA   GLU  29           HA       GLU  29   3.584 -11.117  -1.917
  232   1HB   GLU  29          1HB       GLU  29   3.833 -10.505   0.466
  233   2HB   GLU  29          2HB       GLU  29   3.260  -8.888   0.123
  234   1HG   GLU  29          2HG       GLU  29   1.076  -9.934  -0.727
  235   2HG   GLU  29          1HG       GLU  29   1.684 -11.486  -0.177
  236    H    LYS  30           H        LYS  30   2.147 -10.945  -3.411
  237    HA   LYS  30           HA       LYS  30   1.171  -8.259  -4.301
  238   1HB   LYS  30          1HB       LYS  30   0.901  -9.306  -6.570
  239   2HB   LYS  30          2HB       LYS  30   2.569  -9.278  -6.030
  240   1HG   LYS  30          2HG       LYS  30   2.457 -11.648  -5.365
  241   2HG   LYS  30          1HG       LYS  30   0.747 -11.701  -5.755
  242   1HD   LYS  30          2HD       LYS  30   1.218 -11.290  -8.127
  243   2HD   LYS  30          1HD       LYS  30   2.917 -11.015  -7.788
  244   1HE   LYS  30          2HE       LYS  30   2.542 -13.310  -8.685
  245   2HE   LYS  30          1HE       LYS  30   3.171 -13.374  -7.047
  246   1HZ   LYS  30          1HZ       LYS  30   0.810 -14.465  -8.034
  247   2HZ   LYS  30          2HZ       LYS  30   0.380 -13.256  -6.920
  248   3HZ   LYS  30          3HZ       LYS  30   1.413 -14.517  -6.450
  Start of MODEL   17
    1   1H    LYS   1          1H        LYS   1  -6.595  12.971  -0.754
    2   2H    LYS   1          2H        LYS   1  -5.853  11.956  -1.913
    3   3H    LYS   1          3H        LYS   1  -5.881  11.500  -0.300
    4    HA   LYS   1           HA       LYS   1  -8.525  11.914  -0.948
    5   1HB   LYS   1          2HB       LYS   1  -7.124  10.202  -3.077
    6   2HB   LYS   1          1HB       LYS   1  -8.846  10.487  -2.951
    7   1HG   LYS   1          2HG       LYS   1  -8.485  12.918  -3.329
    8   2HG   LYS   1          1HG       LYS   1  -6.761  12.634  -3.506
    9   1HD   LYS   1          2HD       LYS   1  -7.238  11.070  -5.414
   10   2HD   LYS   1          1HD       LYS   1  -8.946  11.452  -5.265
   11   1HE   LYS   1          2HE       LYS   1  -8.472  13.844  -5.722
   12   2HE   LYS   1          1HE       LYS   1  -6.752  13.482  -5.849
   13   1HZ   LYS   1          1HZ       LYS   1  -8.149  11.736  -7.523
   14   2HZ   LYS   1          2HZ       LYS   1  -7.049  12.958  -7.944
   15   3HZ   LYS   1          3HZ       LYS   1  -8.704  13.314  -7.821
   16    H    THR   2           H        THR   2  -9.252   9.276  -1.466
   17    HA   THR   2           HA       THR   2  -8.133   7.879   0.932
   18    HB   THR   2           HB       THR   2 -10.283   6.470   0.701
   19    HG1  THR   2           HG1      THR   2 -11.534   8.301  -0.827
   20   1HG2  THR   2          1HG2      THR   2 -10.744   9.500   0.844
   21   2HG2  THR   2          2HG2      THR   2 -10.225   8.525   2.207
   22   3HG2  THR   2          3HG2      THR   2 -11.812   8.269   1.504
   23    H    TYR   3           H        TYR   3  -6.884   6.236   0.590
   24    HA   TYR   3           HA       TYR   3  -6.817   4.851  -2.047
   25   1HB   TYR   3          1HB       TYR   3  -4.511   5.367  -0.142
   26   2HB   TYR   3          2HB       TYR   3  -4.407   4.728  -1.776
   27    HD1  TYR   3           HD1      TYR   3  -5.578   6.395  -3.620
   28    HD2  TYR   3           HD2      TYR   3  -4.063   7.624   0.173
   29    HE1  TYR   3           HE1      TYR   3  -5.406   8.701  -4.424
   30    HE2  TYR   3           HE2      TYR   3  -3.899   9.924  -0.641
   31    HH   TYR   3           HH       TYR   3  -4.870  10.785  -3.955
   32    H    GLN   4           H        GLN   4  -6.520   2.664  -2.005
   33    HA   GLN   4           HA       GLN   4  -6.819   1.292   0.638
   34   1HB   GLN   4          1HB       GLN   4  -8.906   1.105  -0.551
   35   2HB   GLN   4          2HB       GLN   4  -8.105   0.801  -2.072
   36   1HG   GLN   4          2HG       GLN   4  -9.165  -1.248  -1.122
   37   2HG   GLN   4          1HG       GLN   4  -7.446  -1.449  -1.347
   38   1HE2  GLN   4          1HE2      GLN   4  -9.302   0.124   1.363
   39   2HE2  GLN   4          2HE2      GLN   4  -8.623  -0.885   2.543
   40    H    CYS   5           H        CYS   5  -5.805  -0.637   0.936
   41    HA   CYS   5           HA       CYS   5  -3.274  -1.008  -0.485
   42   1HB   CYS   5          1HB       CYS   5  -3.387  -1.091   1.955
   43   2HB   CYS   5          2HB       CYS   5  -4.569  -2.401   1.885
   44    H    GLN   6           H        GLN   6  -2.629  -3.131  -1.293
   45    HA   GLN   6           HA       GLN   6  -4.935  -4.715  -2.392
   46   1HB   GLN   6          1HB       GLN   6  -2.201  -4.173  -3.629
   47   2HB   GLN   6          2HB       GLN   6  -3.456  -5.146  -4.368
   48   1HG   GLN   6          2HG       GLN   6  -3.702  -2.173  -3.689
   49   2HG   GLN   6          1HG       GLN   6  -3.460  -2.837  -5.294
   50   1HE2  GLN   6          2HE2      GLN   6  -5.849  -1.744  -3.208
   51   2HE2  GLN   6          1HE2      GLN   6  -7.186  -2.517  -3.913
   52    H    TYR   7           H        TYR   7  -3.777  -5.187   0.088
   53    HA   TYR   7           HA       TYR   7  -2.796  -7.970  -0.301
   54   1HB   TYR   7          1HB       TYR   7  -1.527  -5.938   1.550
   55   2HB   TYR   7          2HB       TYR   7  -1.049  -7.628   1.414
   56    HD1  TYR   7           HD1      TYR   7   0.113  -8.423  -0.682
   57    HD2  TYR   7           HD2      TYR   7  -0.895  -4.324  -0.102
   58    HE1  TYR   7           HE1      TYR   7   1.635  -7.782  -2.492
   59    HE2  TYR   7           HE2      TYR   7   0.613  -3.694  -1.900
   60    HH   TYR   7           HH       TYR   7   1.609  -4.621  -3.789
   61    H    CYS   8           H        CYS   8  -3.538  -5.568   2.149
   62    HA   CYS   8           HA       CYS   8  -5.223  -7.549   3.633
   63   1HB   CYS   8          1HB       CYS   8  -4.564  -6.437   5.674
   64   2HB   CYS   8          2HB       CYS   8  -3.097  -6.768   4.761
   65    H    GLU   9           H        GLU   9  -6.144  -5.392   5.384
   66    HA   GLU   9           HA       GLU   9  -8.341  -4.358   3.685
   67   1HB   GLU   9          1HB       GLU   9  -7.935  -4.394   6.713
   68   2HB   GLU   9          2HB       GLU   9  -9.353  -3.738   5.931
   69   1HG   GLU   9          2HG       GLU   9  -9.854  -5.989   6.738
   70   2HG   GLU   9          1HG       GLU   9  -9.878  -5.987   4.991
   71    H    PHE  10           H        PHE  10  -5.697  -3.288   5.595
   72    HA   PHE  10           HA       PHE  10  -5.731  -0.781   6.284
   73   1HB   PHE  10          1HB       PHE  10  -3.628  -2.028   5.837
   74   2HB   PHE  10          2HB       PHE  10  -3.720  -1.596   4.137
   75    HD1  PHE  10           HD1      PHE  10  -3.201  -0.332   7.560
   76    HD2  PHE  10           HD2      PHE  10  -3.255   0.746   3.436
   77    HE1  PHE  10           HE1      PHE  10  -2.141   1.809   8.103
   78    HE2  PHE  10           HE2      PHE  10  -2.194   2.907   4.002
   79    HZ   PHE  10           HZ       PHE  10  -1.643   3.430   6.315
   80    H    ARG  11           H        ARG  11  -6.804   0.891   5.753
   81    HA   ARG  11           HA       ARG  11  -6.876   1.905   2.939
   82   1HB   ARG  11          1HB       ARG  11  -9.207   2.658   3.270
   83   2HB   ARG  11          2HB       ARG  11  -9.149   0.950   3.606
   84   1HG   ARG  11          2HG       ARG  11  -9.099   3.057   5.822
   85   2HG   ARG  11          1HG       ARG  11 -10.549   2.344   5.190
   86   1HD   ARG  11          2HD       ARG  11 -10.105   0.209   6.036
   87   2HD   ARG  11          1HD       ARG  11  -8.397   0.488   6.282
   88    HE   ARG  11           HE       ARG  11 -10.552   1.789   7.899
   89   1HH1  ARG  11          2HH1      ARG  11  -7.388   2.377   7.577
   90   2HH1  ARG  11          1HH1      ARG  11  -6.884   1.828   9.136
   91   1HH2  ARG  11          1HH2      ARG  11  -9.937   0.298   9.862
   92   2HH2  ARG  11          2HH2      ARG  11  -8.344   0.638  10.451
   93    H    SER  12           H        SER  12  -6.141   3.948   2.889
   94    HA   SER  12           HA       SER  12  -6.140   5.617   5.338
   95   1HB   SER  12          2HB       SER  12  -3.668   4.562   3.927
   96   2HB   SER  12          1HB       SER  12  -3.509   5.964   4.932
   97    HG   SER  12           HG       SER  12  -5.049   4.196   6.225
   98    H    ALA  13           H        ALA  13  -5.179   7.782   4.919
   99    HA   ALA  13           HA       ALA  13  -5.782   8.695   2.135
  100   1HB   ALA  13          1HB       ALA  13  -6.803  10.740   3.157
  101   2HB   ALA  13          2HB       ALA  13  -6.478  10.103   4.763
  102   3HB   ALA  13          3HB       ALA  13  -7.638   9.300   3.714
  103    H    ASP  14           H        ASP  14  -3.340   7.919   3.393
  104    HA   ASP  14           HA       ASP  14  -1.771  10.458   3.143
  105   1HB   ASP  14          1HB       ASP  14  -1.933   9.488   5.561
  106   2HB   ASP  14          2HB       ASP  14  -1.017   8.137   4.989
  107    H    SER  15           H        SER  15  -1.678   9.783   0.919
  108    HA   SER  15           HA       SER  15  -0.921   7.392  -0.184
  109   1HB   SER  15          2HB       SER  15  -1.334   9.543  -1.490
  110   2HB   SER  15          1HB       SER  15   0.260  10.128  -0.992
  111    HG   SER  15           HG       SER  15   0.994   8.993  -2.571
  112    H    SER  16           H        SER  16   1.433   9.751   1.031
  113    HA   SER  16           HA       SER  16   3.803   8.343   0.560
  114   1HB   SER  16          2HB       SER  16   3.165   9.987   3.081
  115   2HB   SER  16          1HB       SER  16   4.776   9.635   2.443
  116    HG   SER  16           HG       SER  16   3.187  10.560   0.481
  117    H    ASN  17           H        ASN  17   1.784   8.195   3.512
  118    HA   ASN  17           HA       ASN  17   3.196   6.149   4.814
  119   1HB   ASN  17          1HB       ASN  17   1.351   7.610   5.783
  120   2HB   ASN  17          2HB       ASN  17   0.208   6.616   4.887
  121   1HD2  ASN  17          2HD2      ASN  17   3.018   5.077   6.415
  122   2HD2  ASN  17          1HD2      ASN  17   2.116   4.303   7.625
  123    H    LEU  18           H        LEU  18   0.385   5.892   2.652
  124    HA   LEU  18           HA       LEU  18   0.050   3.115   2.822
  125   1HB   LEU  18          1HB       LEU  18  -1.612   4.548   1.703
  126   2HB   LEU  18          2HB       LEU  18  -0.439   5.014   0.472
  127    HG   LEU  18           HG       LEU  18  -0.407   2.713  -0.423
  128   1HD1  LEU  18          1HD1      LEU  18  -1.973   0.985   0.466
  129   2HD1  LEU  18          2HD1      LEU  18  -2.468   2.079   1.746
  130   3HD1  LEU  18          3HD1      LEU  18  -0.831   1.442   1.713
  131   1HD2  LEU  18          1HD2      LEU  18  -2.731   2.622  -1.252
  132   2HD2  LEU  18          2HD2      LEU  18  -2.146   4.276  -1.238
  133   3HD2  LEU  18          3HD2      LEU  18  -3.231   3.712   0.029
  134    H    LYS  19           H        LYS  19   2.079   4.806   0.409
  135    HA   LYS  19           HA       LYS  19   2.906   2.371  -0.854
  136   1HB   LYS  19          1HB       LYS  19   4.801   4.763  -0.417
  137   2HB   LYS  19          2HB       LYS  19   4.856   3.608  -1.733
  138   1HG   LYS  19          2HG       LYS  19   2.569   4.525  -2.463
  139   2HG   LYS  19          1HG       LYS  19   2.816   5.802  -1.287
  140   1HD   LYS  19          2HD       LYS  19   5.114   6.219  -2.442
  141   2HD   LYS  19          1HD       LYS  19   4.519   5.185  -3.726
  142   1HE   LYS  19          2HE       LYS  19   4.036   7.490  -4.339
  143   2HE   LYS  19          1HE       LYS  19   2.505   6.732  -3.924
  144   1HZ   LYS  19          1HZ       LYS  19   3.640   7.754  -1.582
  145   2HZ   LYS  19          2HZ       LYS  19   2.213   8.223  -2.371
  146   3HZ   LYS  19          3HZ       LYS  19   3.686   8.972  -2.767
  147    H    THR  20           H        THR  20   4.406   4.174   1.816
  148    HA   THR  20           HA       THR  20   6.514   2.404   2.348
  149    HB   THR  20           HB       THR  20   4.770   3.868   4.467
  150    HG1  THR  20           HG1      THR  20   7.036   5.078   3.726
  151   1HG2  THR  20          1HG2      THR  20   7.763   3.187   4.446
  152   2HG2  THR  20          2HG2      THR  20   6.583   2.278   5.375
  153   3HG2  THR  20          3HG2      THR  20   6.882   3.966   5.750
  154    H    HIS  21           H        HIS  21   3.271   2.320   3.766
  155    HA   HIS  21           HA       HIS  21   3.281   0.026   5.255
  156   1HB   HIS  21          1HB       HIS  21   1.314   1.471   5.097
  157   2HB   HIS  21          2HB       HIS  21   1.096   1.113   3.404
  158    HD1  HIS  21           HD1      HIS  21   0.608  -0.505   6.722
  159    HD2  HIS  21           HD2      HIS  21  -0.108  -1.267   2.772
  160    HE1  HIS  21           HE1      HIS  21  -0.867  -2.491   6.652
  161    H    ILE  22           H        ILE  22   2.412   0.101   1.757
  162    HA   ILE  22           HA       ILE  22   2.326  -2.666   1.374
  163    HB   ILE  22           HB       ILE  22   3.112  -0.433  -0.553
  164   1HG1  ILE  22          2HG1      ILE  22   0.519  -2.002  -0.156
  165   2HG1  ILE  22          1HG1      ILE  22   0.802  -0.393   0.469
  166   1HG2  ILE  22          1HG2      ILE  22   2.495  -3.351  -1.160
  167   2HG2  ILE  22          2HG2      ILE  22   4.035  -2.577  -1.399
  168   3HG2  ILE  22          3HG2      ILE  22   2.672  -2.098  -2.383
  169   1HD1  ILE  22          1HD       ILE  22   0.776  -1.142  -2.483
  170   2HD1  ILE  22          2HD       ILE  22   1.099   0.465  -1.845
  171   3HD1  ILE  22          3HD       ILE  22  -0.477  -0.274  -1.619
  172    H    LYS  23           H        LYS  23   5.240  -0.600   1.211
  173    HA   LYS  23           HA       LYS  23   6.885  -2.901   0.483
  174   1HB   LYS  23          1HB       LYS  23   7.658  -0.047   1.162
  175   2HB   LYS  23          2HB       LYS  23   8.734  -1.239   0.463
  176   1HG   LYS  23          2HG       LYS  23   6.167  -0.215  -0.851
  177   2HG   LYS  23          1HG       LYS  23   7.793   0.267  -1.282
  178   1HD   LYS  23          2HD       LYS  23   8.354  -2.024  -1.986
  179   2HD   LYS  23          1HD       LYS  23   6.777  -2.609  -1.493
  180   1HE   LYS  23          2HE       LYS  23   7.208  -0.533  -3.661
  181   2HE   LYS  23          1HE       LYS  23   6.851  -2.235  -3.930
  182   1HZ   LYS  23          1HZ       LYS  23   4.726  -1.802  -3.704
  183   2HZ   LYS  23          2HZ       LYS  23   5.065  -0.156  -3.460
  184   3HZ   LYS  23          3HZ       LYS  23   4.979  -1.205  -2.132
  185    H    THR  24           H        THR  24   5.950  -1.658   3.503
  186    HA   THR  24           HA       THR  24   8.284  -2.973   4.845
  187    HB   THR  24           HB       THR  24   7.881  -0.506   5.372
  188    HG1  THR  24           HG1      THR  24   8.706  -1.148   7.169
  189   1HG2  THR  24          1HG2      THR  24   6.013   0.043   6.887
  190   2HG2  THR  24          2HG2      THR  24   5.468  -1.622   6.902
  191   3HG2  THR  24          3HG2      THR  24   5.296  -0.654   5.448
  192    H    LYS  25           H        LYS  25   4.951  -3.226   4.267
  193    HA   LYS  25           HA       LYS  25   4.544  -5.294   6.371
  194   1HB   LYS  25          1HB       LYS  25   2.483  -3.727   4.745
  195   2HB   LYS  25          2HB       LYS  25   2.090  -4.900   5.986
  196   1HG   LYS  25          2HG       LYS  25   3.502  -2.232   6.366
  197   2HG   LYS  25          1HG       LYS  25   1.869  -2.629   6.833
  198   1HD   LYS  25          2HD       LYS  25   2.727  -4.356   8.431
  199   2HD   LYS  25          1HD       LYS  25   4.373  -3.893   8.021
  200   1HE   LYS  25          2HE       LYS  25   3.681  -2.736  10.074
  201   2HE   LYS  25          1HE       LYS  25   3.914  -1.563   8.786
  202   1HZ   LYS  25          1HZ       LYS  25   1.262  -2.471   8.708
  203   2HZ   LYS  25          2HZ       LYS  25   1.842  -0.910   9.040
  204   3HZ   LYS  25          3HZ       LYS  25   1.629  -2.022  10.305
  205    H    HIS  26           H        HIS  26   4.082  -4.506   2.977
  206    HA   HIS  26           HA       HIS  26   3.744  -7.423   2.390
  207   1HB   HIS  26          1HB       HIS  26   2.672  -5.046   0.823
  208   2HB   HIS  26          2HB       HIS  26   2.307  -6.735   0.545
  209    HD1  HIS  26           HD1      HIS  26   1.391  -7.717   3.170
  210    HD2  HIS  26           HD2      HIS  26   0.632  -3.865   2.041
  211    HE1  HIS  26           HE1      HIS  26  -0.551  -6.969   4.518
  212    H    SER  27           H        SER  27   3.964  -5.540  -0.290
  213    HA   SER  27           HA       SER  27   5.786  -4.690  -1.620
  214   1HB   SER  27          2HB       SER  27   7.406  -7.072  -0.496
  215   2HB   SER  27          1HB       SER  27   7.978  -5.922  -1.703
  216    HG   SER  27           HG       SER  27   8.355  -4.570  -0.172
  217    H    LYS  28           H        LYS  28   6.772  -5.737  -3.508
  218    HA   LYS  28           HA       LYS  28   6.920  -7.556  -5.103
  219   1HB   LYS  28          1HB       LYS  28   5.373  -9.145  -4.011
  220   2HB   LYS  28          2HB       LYS  28   4.010  -8.097  -4.274
  221   1HG   LYS  28          2HG       LYS  28   3.951  -9.881  -5.914
  222   2HG   LYS  28          1HG       LYS  28   4.304  -8.395  -6.763
  223   1HD   LYS  28          2HD       LYS  28   6.826  -9.069  -6.511
  224   2HD   LYS  28          1HD       LYS  28   6.227 -10.626  -5.973
  225   1HE   LYS  28          2HE       LYS  28   6.713 -10.669  -8.391
  226   2HE   LYS  28          1HE       LYS  28   4.987 -10.879  -8.130
  227   1HZ   LYS  28          1HZ       LYS  28   6.290  -8.917  -9.616
  228   2HZ   LYS  28          2HZ       LYS  28   5.545  -8.134  -8.306
  229   3HZ   LYS  28          3HZ       LYS  28   4.622  -9.100  -9.352
  230    H    GLU  29           H        GLU  29   3.768  -6.019  -4.965
  231    HA   GLU  29           HA       GLU  29   4.454  -4.477  -7.436
  232   1HB   GLU  29          1HB       GLU  29   2.270  -4.909  -8.436
  233   2HB   GLU  29          2HB       GLU  29   3.013  -6.438  -8.081
  234   1HG   GLU  29          2HG       GLU  29   0.987  -5.272  -6.141
  235   2HG   GLU  29          1HG       GLU  29   0.464  -6.102  -7.584
  236    H    LYS  30           H        LYS  30   1.588  -3.455  -7.355
  237    HA   LYS  30           HA       LYS  30   2.066  -1.371  -5.270
  238   1HB   LYS  30          1HB       LYS  30   0.495   0.006  -6.537
  239   2HB   LYS  30          2HB       LYS  30   1.706  -0.621  -7.639
  240   1HG   LYS  30          2HG       LYS  30   0.171  -2.330  -8.477
  241   2HG   LYS  30          1HG       LYS  30  -1.031  -1.934  -7.263
  242   1HD   LYS  30          2HD       LYS  30  -1.110   0.424  -8.241
  243   2HD   LYS  30          1HD       LYS  30  -0.095  -0.158  -9.546
  244   1HE   LYS  30          2HE       LYS  30  -1.800  -1.820 -10.185
  245   2HE   LYS  30          1HE       LYS  30  -2.798  -1.367  -8.809
  246   1HZ   LYS  30          1HZ       LYS  30  -2.160   0.944 -10.256
  247   2HZ   LYS  30          2HZ       LYS  30  -3.678   0.232 -10.001
  248   3HZ   LYS  30          3HZ       LYS  30  -2.736  -0.228 -11.341
  Start of MODEL   18
    1   1H    LYS   1          1H        LYS   1 -10.207   9.093  -2.731
    2   2H    LYS   1          2H        LYS   1 -10.759  10.524  -3.461
    3   3H    LYS   1          3H        LYS   1 -11.869   9.327  -2.985
    4    HA   LYS   1           HA       LYS   1 -10.887  11.495  -1.503
    5   1HB   LYS   1          2HB       LYS   1 -13.233  10.576  -1.589
    6   2HB   LYS   1          1HB       LYS   1 -12.683   9.145  -0.733
    7   1HG   LYS   1          2HG       LYS   1 -12.150  10.464   1.265
    8   2HG   LYS   1          1HG       LYS   1 -12.422  11.967   0.403
    9   1HD   LYS   1          2HD       LYS   1 -14.362  11.417   1.837
   10   2HD   LYS   1          1HD       LYS   1 -14.828  11.438   0.152
   11   1HE   LYS   1          2HE       LYS   1 -14.671   8.938   0.080
   12   2HE   LYS   1          1HE       LYS   1 -14.209   8.935   1.779
   13   1HZ   LYS   1          1HZ       LYS   1 -16.542  10.446   1.506
   14   2HZ   LYS   1          2HZ       LYS   1 -16.332   8.961   2.298
   15   3HZ   LYS   1          3HZ       LYS   1 -16.762   8.995   0.655
   16    H    THR   2           H        THR   2 -10.673   8.002  -0.973
   17    HA   THR   2           HA       THR   2  -8.387   8.430   0.927
   18    HB   THR   2           HB       THR   2  -9.157   6.274   2.048
   19    HG1  THR   2           HG1      THR   2 -10.461   5.128   0.881
   20   1HG2  THR   2          1HG2      THR   2 -10.218   8.486   2.828
   21   2HG2  THR   2          2HG2      THR   2 -11.281   7.098   3.008
   22   3HG2  THR   2          3HG2      THR   2 -11.511   8.210   1.669
   23    H    TYR   3           H        TYR   3  -7.039   6.329   1.047
   24    HA   TYR   3           HA       TYR   3  -6.583   5.253  -1.717
   25   1HB   TYR   3          1HB       TYR   3  -4.474   5.639   0.453
   26   2HB   TYR   3          2HB       TYR   3  -4.217   5.337  -1.260
   27    HD1  TYR   3           HD1      TYR   3  -5.396   7.195  -2.867
   28    HD2  TYR   3           HD2      TYR   3  -4.242   7.820   1.179
   29    HE1  TYR   3           HE1      TYR   3  -5.322   9.617  -3.256
   30    HE2  TYR   3           HE2      TYR   3  -4.151  10.240   0.786
   31    HH   TYR   3           HH       TYR   3  -5.273  11.657  -2.206
   32    H    GLN   4           H        GLN   4  -6.083   3.016  -1.799
   33    HA   GLN   4           HA       GLN   4  -6.475   1.491   0.751
   34   1HB   GLN   4          1HB       GLN   4  -8.536   1.485  -0.525
   35   2HB   GLN   4          2HB       GLN   4  -7.692   1.031  -1.983
   36   1HG   GLN   4          2HG       GLN   4  -8.920  -0.889  -1.018
   37   2HG   GLN   4          1HG       GLN   4  -7.201  -1.204  -1.043
   38   1HE2  GLN   4          2HE2      GLN   4  -6.770  -2.410   0.779
   39   2HE2  GLN   4          1HE2      GLN   4  -7.315  -2.059   2.346
   40    H    CYS   5           H        CYS   5  -5.537  -0.470   0.966
   41    HA   CYS   5           HA       CYS   5  -2.955  -0.838  -0.297
   42   1HB   CYS   5          1HB       CYS   5  -3.314  -1.224   2.088
   43   2HB   CYS   5          2HB       CYS   5  -4.510  -2.471   1.737
   44    H    GLN   6           H        GLN   6  -2.288  -2.924  -1.141
   45    HA   GLN   6           HA       GLN   6  -4.381  -4.199  -2.858
   46   1HB   GLN   6          1HB       GLN   6  -1.651  -3.149  -3.355
   47   2HB   GLN   6          2HB       GLN   6  -1.889  -4.725  -4.057
   48   1HG   GLN   6          2HG       GLN   6  -3.763  -2.362  -4.509
   49   2HG   GLN   6          1HG       GLN   6  -2.468  -2.831  -5.605
   50   1HE2  GLN   6          1HE2      GLN   6  -5.745  -3.208  -5.151
   51   2HE2  GLN   6          2HE2      GLN   6  -5.967  -4.688  -5.955
   52    H    TYR   7           H        TYR   7  -3.304  -4.918  -0.098
   53    HA   TYR   7           HA       TYR   7  -2.891  -7.805  -0.720
   54   1HB   TYR   7          1HB       TYR   7  -1.255  -6.198   1.276
   55   2HB   TYR   7          2HB       TYR   7  -1.052  -7.909   0.935
   56    HD1  TYR   7           HD1      TYR   7  -0.503  -8.569  -1.529
   57    HD2  TYR   7           HD2      TYR   7  -0.167  -4.572  -0.082
   58    HE1  TYR   7           HE1      TYR   7   0.904  -7.988  -3.442
   59    HE2  TYR   7           HE2      TYR   7   1.234  -4.005  -2.003
   60    HH   TYR   7           HH       TYR   7   2.152  -6.438  -4.410
   61    H    CYS   8           H        CYS   8  -3.234  -5.603   2.037
   62    HA   CYS   8           HA       CYS   8  -5.134  -7.549   3.296
   63   1HB   CYS   8          1HB       CYS   8  -4.553  -6.590   5.416
   64   2HB   CYS   8          2HB       CYS   8  -3.050  -6.899   4.561
   65    H    GLU   9           H        GLU   9  -6.341  -6.025   5.048
   66    HA   GLU   9           HA       GLU   9  -8.100  -4.277   3.379
   67   1HB   GLU   9          1HB       GLU   9  -8.612  -5.319   6.208
   68   2HB   GLU   9          2HB       GLU   9  -9.793  -4.653   5.097
   69   1HG   GLU   9          2HG       GLU   9  -8.342  -7.311   4.775
   70   2HG   GLU   9          1HG       GLU   9 -10.025  -7.092   5.189
   71    H    PHE  10           H        PHE  10  -5.939  -3.030   3.645
   72    HA   PHE  10           HA       PHE  10  -6.129  -1.223   6.022
   73   1HB   PHE  10          1HB       PHE  10  -3.901  -2.317   5.841
   74   2HB   PHE  10          2HB       PHE  10  -3.725  -1.750   4.191
   75    HD1  PHE  10           HD1      PHE  10  -4.428  -0.482   7.638
   76    HD2  PHE  10           HD2      PHE  10  -2.606   0.374   3.879
   77    HE1  PHE  10           HE1      PHE  10  -3.562   1.622   8.533
   78    HE2  PHE  10           HE2      PHE  10  -1.753   2.518   4.793
   79    HZ   PHE  10           HZ       PHE  10  -2.217   3.118   7.102
   80    H    ARG  11           H        ARG  11  -6.935   0.659   5.639
   81    HA   ARG  11           HA       ARG  11  -6.713   1.892   2.911
   82   1HB   ARG  11          1HB       ARG  11  -8.911   2.875   3.275
   83   2HB   ARG  11          2HB       ARG  11  -9.044   1.148   3.541
   84   1HG   ARG  11          2HG       ARG  11  -8.889   1.494   5.999
   85   2HG   ARG  11          1HG       ARG  11  -8.848   3.234   5.745
   86   1HD   ARG  11          2HD       ARG  11 -11.119   1.344   4.977
   87   2HD   ARG  11          1HD       ARG  11 -11.155   2.601   6.214
   88    HE   ARG  11           HE       ARG  11 -10.865   4.259   4.340
   89   1HH1  ARG  11          2HH1      ARG  11 -10.475   1.747   2.417
   90   2HH1  ARG  11          1HH1      ARG  11 -11.951   1.894   1.535
   91   1HH2  ARG  11          2HH2      ARG  11 -13.392   4.133   3.784
   92   2HH2  ARG  11          1HH2      ARG  11 -13.636   3.254   2.311
   93    H    SER  12           H        SER  12  -6.151   4.052   2.978
   94    HA   SER  12           HA       SER  12  -5.554   5.261   5.639
   95   1HB   SER  12          2HB       SER  12  -3.218   5.569   3.686
   96   2HB   SER  12          1HB       SER  12  -3.271   5.210   5.366
   97    HG   SER  12           HG       SER  12  -4.224   3.122   4.578
   98    H    ALA  13           H        ALA  13  -4.826   7.558   5.381
   99    HA   ALA  13           HA       ALA  13  -6.438   8.896   3.232
  100   1HB   ALA  13          1HB       ALA  13  -6.706  10.749   4.882
  101   2HB   ALA  13          2HB       ALA  13  -5.726   9.857   6.035
  102   3HB   ALA  13          3HB       ALA  13  -7.297   9.236   5.546
  103    H    ASP  14           H        ASP  14  -3.554   7.970   3.440
  104    HA   ASP  14           HA       ASP  14  -2.296  10.498   2.470
  105   1HB   ASP  14          1HB       ASP  14  -1.701   9.769   4.934
  106   2HB   ASP  14          2HB       ASP  14  -0.842   8.453   4.173
  107    H    SER  15           H        SER  15  -0.763  10.148   0.792
  108    HA   SER  15           HA       SER  15  -0.818   7.385  -0.367
  109   1HB   SER  15          2HB       SER  15  -2.144   9.084  -1.670
  110   2HB   SER  15          1HB       SER  15  -0.704  10.093  -1.815
  111    HG   SER  15           HG       SER  15  -1.427   8.058  -3.322
  112    H    SER  16           H        SER  16   1.111   8.701   1.431
  113    HA   SER  16           HA       SER  16   3.645   8.217  -0.075
  114   1HB   SER  16          2HB       SER  16   3.266  10.027   2.394
  115   2HB   SER  16          1HB       SER  16   4.719   9.875   1.396
  116    HG   SER  16           HG       SER  16   2.555  11.399   0.979
  117    H    ASN  17           H        ASN  17   1.725   8.132   2.840
  118    HA   ASN  17           HA       ASN  17   3.461   6.256   4.235
  119   1HB   ASN  17          1HB       ASN  17   0.578   7.079   4.827
  120   2HB   ASN  17          2HB       ASN  17   1.613   6.158   5.906
  121   1HD2  ASN  17          2HD2      ASN  17   0.445   9.145   5.706
  122   2HD2  ASN  17          1HD2      ASN  17   1.766  10.055   6.269
  123    H    LEU  18           H        LEU  18   0.219   5.965   2.596
  124    HA   LEU  18           HA       LEU  18  -0.124   3.232   3.082
  125   1HB   LEU  18          1HB       LEU  18  -1.893   4.511   2.004
  126   2HB   LEU  18          2HB       LEU  18  -0.856   4.923   0.640
  127    HG   LEU  18           HG       LEU  18  -0.822   2.500  -0.043
  128   1HD1  LEU  18          1HD1      LEU  18  -2.871   2.109   2.187
  129   2HD1  LEU  18          2HD1      LEU  18  -1.242   1.454   2.202
  130   3HD1  LEU  18          3HD1      LEU  18  -2.393   0.906   1.003
  131   1HD2  LEU  18          1HD2      LEU  18  -2.481   4.049  -0.972
  132   2HD2  LEU  18          2HD2      LEU  18  -3.608   3.626   0.315
  133   3HD2  LEU  18          3HD2      LEU  18  -3.113   2.419  -0.861
  134    H    LYS  19           H        LYS  19   1.946   4.674   0.592
  135    HA   LYS  19           HA       LYS  19   2.511   2.108  -0.665
  136   1HB   LYS  19          1HB       LYS  19   2.891   4.339  -1.780
  137   2HB   LYS  19          2HB       LYS  19   4.197   4.655  -0.648
  138   1HG   LYS  19          2HG       LYS  19   5.573   2.919  -1.546
  139   2HG   LYS  19          1HG       LYS  19   4.209   2.073  -2.246
  140   1HD   LYS  19          2HD       LYS  19   5.479   3.119  -4.038
  141   2HD   LYS  19          1HD       LYS  19   3.925   3.909  -3.902
  142   1HE   LYS  19          2HE       LYS  19   5.129   5.711  -2.461
  143   2HE   LYS  19          1HE       LYS  19   6.628   4.939  -2.961
  144   1HZ   LYS  19          1HZ       LYS  19   5.072   5.288  -5.233
  145   2HZ   LYS  19          2HZ       LYS  19   6.536   6.053  -4.830
  146   3HZ   LYS  19          3HZ       LYS  19   5.054   6.753  -4.378
  147    H    THR  20           H        THR  20   4.244   4.122   1.740
  148    HA   THR  20           HA       THR  20   6.395   2.336   2.167
  149    HB   THR  20           HB       THR  20   4.954   4.203   4.194
  150    HG1  THR  20           HG1      THR  20   5.732   5.390   2.568
  151   1HG2  THR  20          1HG2      THR  20   7.842   3.127   4.145
  152   2HG2  THR  20          2HG2      THR  20   6.623   2.516   5.247
  153   3HG2  THR  20          3HG2      THR  20   7.156   4.182   5.372
  154    H    HIS  21           H        HIS  21   3.172   2.408   3.624
  155    HA   HIS  21           HA       HIS  21   3.287   0.334   5.466
  156   1HB   HIS  21          1HB       HIS  21   1.200   1.511   5.297
  157   2HB   HIS  21          2HB       HIS  21   1.049   1.273   3.576
  158    HD1  HIS  21           HD1      HIS  21   0.471  -0.512   6.765
  159    HD2  HIS  21           HD2      HIS  21  -0.018  -1.216   2.772
  160    HE1  HIS  21           HE1      HIS  21  -0.905  -2.547   6.584
  161    H    ILE  22           H        ILE  22   2.348   0.010   2.023
  162    HA   ILE  22           HA       ILE  22   2.384  -2.741   1.789
  163    HB   ILE  22           HB       ILE  22   3.251  -0.625  -0.230
  164   1HG1  ILE  22          2HG1      ILE  22   0.661  -2.203   0.129
  165   2HG1  ILE  22          1HG1      ILE  22   0.901  -0.528   0.574
  166   1HG2  ILE  22          1HG2      ILE  22   2.994  -2.393  -1.994
  167   2HG2  ILE  22          2HG2      ILE  22   2.789  -3.591  -0.725
  168   3HG2  ILE  22          3HG2      ILE  22   4.306  -2.747  -0.904
  169   1HD1  ILE  22          1HD       ILE  22  -0.246  -0.678  -1.598
  170   2HD1  ILE  22          2HD       ILE  22   1.094  -1.580  -2.277
  171   3HD1  ILE  22          3HD       ILE  22   1.323   0.091  -1.786
  172    H    LYS  23           H        LYS  23   5.233  -0.733   1.099
  173    HA   LYS  23           HA       LYS  23   7.049  -2.798   0.597
  174   1HB   LYS  23          1HB       LYS  23   7.551  -0.092   1.929
  175   2HB   LYS  23          2HB       LYS  23   8.831  -1.117   1.309
  176   1HG   LYS  23          2HG       LYS  23   6.501  -0.146  -0.404
  177   2HG   LYS  23          1HG       LYS  23   8.013   0.721  -0.272
  178   1HD   LYS  23          2HD       LYS  23   9.258  -0.909  -1.402
  179   2HD   LYS  23          1HD       LYS  23   8.155  -2.215  -1.043
  180   1HE   LYS  23          2HE       LYS  23   7.541   0.106  -2.919
  181   2HE   LYS  23          1HE       LYS  23   8.013  -1.510  -3.434
  182   1HZ   LYS  23          1HZ       LYS  23   5.470  -0.578  -2.767
  183   2HZ   LYS  23          2HZ       LYS  23   5.906  -1.737  -1.606
  184   3HZ   LYS  23          3HZ       LYS  23   5.916  -2.141  -3.255
  185    H    THR  24           H        THR  24   6.453  -1.358   3.731
  186    HA   THR  24           HA       THR  24   8.341  -3.054   5.111
  187    HB   THR  24           HB       THR  24   7.382  -1.893   7.167
  188    HG1  THR  24           HG1      THR  24   5.763  -0.717   5.168
  189   1HG2  THR  24          1HG2      THR  24   7.696   0.029   4.775
  190   2HG2  THR  24          2HG2      THR  24   9.071  -0.626   5.635
  191   3HG2  THR  24          3HG2      THR  24   7.934   0.421   6.469
  192    H    LYS  25           H        LYS  25   4.828  -3.153   4.815
  193    HA   LYS  25           HA       LYS  25   4.635  -5.436   6.645
  194   1HB   LYS  25          1HB       LYS  25   2.591  -3.686   5.278
  195   2HB   LYS  25          2HB       LYS  25   2.123  -5.042   6.286
  196   1HG   LYS  25          2HG       LYS  25   3.844  -3.834   8.006
  197   2HG   LYS  25          1HG       LYS  25   3.518  -2.439   6.999
  198   1HD   LYS  25          2HD       LYS  25   1.080  -2.730   7.429
  199   2HD   LYS  25          1HD       LYS  25   1.429  -4.100   8.460
  200   1HE   LYS  25          2HE       LYS  25   2.422  -1.253   8.925
  201   2HE   LYS  25          1HE       LYS  25   1.127  -2.047   9.807
  202   1HZ   LYS  25          1HZ       LYS  25   3.341  -3.725   9.890
  203   2HZ   LYS  25          2HZ       LYS  25   2.611  -2.880  11.168
  204   3HZ   LYS  25          3HZ       LYS  25   3.874  -2.163  10.285
  205    H    HIS  26           H        HIS  26   4.294  -4.912   3.189
  206    HA   HIS  26           HA       HIS  26   3.534  -7.782   2.890
  207   1HB   HIS  26          1HB       HIS  26   2.904  -5.431   1.072
  208   2HB   HIS  26          2HB       HIS  26   2.424  -7.095   0.801
  209    HD1  HIS  26           HD1      HIS  26   1.089  -8.007   3.175
  210    HD2  HIS  26           HD2      HIS  26   0.897  -4.047   2.223
  211    HE1  HIS  26           HE1      HIS  26  -0.893  -7.103   4.345
  212    H    SER  27           H        SER  27   5.999  -7.770   3.172
  213    HA   SER  27           HA       SER  27   7.237  -7.820   0.441
  214   1HB   SER  27          2HB       SER  27   8.148  -5.955   1.785
  215   2HB   SER  27          1HB       SER  27   8.550  -7.058   3.109
  216    HG   SER  27           HG       SER  27   9.490  -8.056   0.820
  217    H    LYS  28           H        LYS  28   5.768  -9.773   2.007
  218    HA   LYS  28           HA       LYS  28   7.757 -11.972   2.071
  219   1HB   LYS  28          1HB       LYS  28   7.334 -11.518   4.419
  220   2HB   LYS  28          2HB       LYS  28   5.633 -11.244   4.132
  221   1HG   LYS  28          2HG       LYS  28   6.017 -13.415   5.265
  222   2HG   LYS  28          1HG       LYS  28   5.242 -13.628   3.723
  223   1HD   LYS  28          2HD       LYS  28   6.901 -15.357   4.002
  224   2HD   LYS  28          1HD       LYS  28   7.484 -14.303   2.742
  225   1HE   LYS  28          2HE       LYS  28   8.369 -13.924   5.621
  226   2HE   LYS  28          1HE       LYS  28   9.175 -15.060   4.556
  227   1HZ   LYS  28          1HZ       LYS  28   9.532 -12.295   4.727
  228   2HZ   LYS  28          2HZ       LYS  28   8.905 -12.642   3.188
  229   3HZ   LYS  28          3HZ       LYS  28  10.320 -13.408   3.717
  230    H    GLU  29           H        GLU  29   4.462 -11.048   1.980
  231    HA   GLU  29           HA       GLU  29   2.511 -12.144   1.220
  232   1HB   GLU  29          1HB       GLU  29   4.310 -11.793  -1.211
  233   2HB   GLU  29          2HB       GLU  29   2.559 -11.946  -1.276
  234   1HG   GLU  29          2HG       GLU  29   2.284  -9.882   0.049
  235   2HG   GLU  29          1HG       GLU  29   4.010  -9.766   0.320
  236    H    LYS  30           H        LYS  30   4.812 -13.680  -0.951
  237    HA   LYS  30           HA       LYS  30   4.088 -15.917  -1.862
  238   1HB   LYS  30          1HB       LYS  30   6.375 -15.883   0.147
  239   2HB   LYS  30          2HB       LYS  30   6.140 -17.155  -1.028
  240   1HG   LYS  30          2HG       LYS  30   6.601 -14.217  -1.716
  241   2HG   LYS  30          1HG       LYS  30   7.826 -15.465  -1.758
  242   1HD   LYS  30          2HD       LYS  30   6.435 -16.724  -3.445
  243   2HD   LYS  30          1HD       LYS  30   5.295 -15.388  -3.471
  244   1HE   LYS  30          2HE       LYS  30   6.836 -15.125  -5.340
  245   2HE   LYS  30          1HE       LYS  30   7.171 -13.857  -4.171
  246   1HZ   LYS  30          1HZ       LYS  30   8.902 -15.813  -5.145
  247   2HZ   LYS  30          2HZ       LYS  30   8.682 -16.105  -3.487
  248   3HZ   LYS  30          3HZ       LYS  30   9.224 -14.584  -4.014
  Start of MODEL   19
    1   1H    LYS   1          1H        LYS   1 -12.717  11.856   0.782
    2   2H    LYS   1          2H        LYS   1 -12.223  10.636   1.856
    3   3H    LYS   1          3H        LYS   1 -13.687  10.479   1.006
    4    HA   LYS   1           HA       LYS   1 -12.663   9.421  -0.606
    5   1HB   LYS   1          2HB       LYS   1 -12.355  11.839  -1.426
    6   2HB   LYS   1          1HB       LYS   1 -10.735  11.784  -0.762
    7   1HG   LYS   1          2HG       LYS   1 -10.175   9.869  -2.248
    8   2HG   LYS   1          1HG       LYS   1 -11.815   9.870  -2.881
    9   1HD   LYS   1          2HD       LYS   1 -11.473  12.256  -3.640
   10   2HD   LYS   1          1HD       LYS   1  -9.808  12.150  -3.108
   11   1HE   LYS   1          2HE       LYS   1 -11.091  10.380  -5.234
   12   2HE   LYS   1          1HE       LYS   1  -9.994  11.718  -5.541
   13   1HZ   LYS   1          1HZ       LYS   1  -8.778  10.034  -3.686
   14   2HZ   LYS   1          2HZ       LYS   1  -8.313  10.358  -5.284
   15   3HZ   LYS   1          3HZ       LYS   1  -9.366   9.069  -4.955
   16    H    THR   2           H        THR   2 -11.392   7.731  -0.401
   17    HA   THR   2           HA       THR   2  -8.896   7.908   1.230
   18    HB   THR   2           HB       THR   2 -10.540   6.800   2.605
   19    HG1  THR   2           HG1      THR   2  -8.406   5.742   2.188
   20   1HG2  THR   2          1HG2      THR   2 -10.994   4.858   0.256
   21   2HG2  THR   2          2HG2      THR   2 -12.164   6.073   0.749
   22   3HG2  THR   2          3HG2      THR   2 -11.761   4.752   1.829
   23    H    TYR   3           H        TYR   3  -7.538   6.107   1.034
   24    HA   TYR   3           HA       TYR   3  -7.203   5.012  -1.735
   25   1HB   TYR   3          1HB       TYR   3  -4.971   5.815   0.222
   26   2HB   TYR   3          2HB       TYR   3  -4.765   5.256  -1.432
   27    HD1  TYR   3           HD1      TYR   3  -6.544   6.814  -3.062
   28    HD2  TYR   3           HD2      TYR   3  -4.365   8.053   0.382
   29    HE1  TYR   3           HE1      TYR   3  -6.577   9.123  -3.865
   30    HE2  TYR   3           HE2      TYR   3  -4.386  10.358  -0.432
   31    HH   TYR   3           HH       TYR   3  -6.037  11.225  -3.461
   32    H    GLN   4           H        GLN   4  -7.021   2.752  -1.611
   33    HA   GLN   4           HA       GLN   4  -6.698   1.590   1.143
   34   1HB   GLN   4          1HB       GLN   4  -8.993   1.524  -0.182
   35   2HB   GLN   4          2HB       GLN   4  -8.244   0.238  -1.093
   36   1HG   GLN   4          2HG       GLN   4  -8.396   0.187   1.953
   37   2HG   GLN   4          1HG       GLN   4  -9.705  -0.403   0.959
   38   1HE2  GLN   4          2HE2      GLN   4  -6.944  -1.374   2.579
   39   2HE2  GLN   4          1HE2      GLN   4  -6.675  -2.840   1.769
   40    H    CYS   5           H        CYS   5  -5.699  -0.418   1.294
   41    HA   CYS   5           HA       CYS   5  -3.313  -0.709  -0.311
   42   1HB   CYS   5          1HB       CYS   5  -3.410  -1.172   2.116
   43   2HB   CYS   5          2HB       CYS   5  -4.536  -2.496   1.831
   44    H    GLN   6           H        GLN   6  -2.712  -2.915  -1.203
   45    HA   GLN   6           HA       GLN   6  -5.026  -4.152  -2.663
   46   1HB   GLN   6          1HB       GLN   6  -3.546  -4.405  -4.602
   47   2HB   GLN   6          2HB       GLN   6  -3.576  -2.723  -4.109
   48   1HG   GLN   6          2HG       GLN   6  -1.411  -3.054  -2.873
   49   2HG   GLN   6          1HG       GLN   6  -1.395  -4.734  -3.387
   50   1HE2  GLN   6          2HE2      GLN   6  -0.191  -5.117  -5.200
   51   2HE2  GLN   6          1HE2      GLN   6   0.150  -3.985  -6.415
   52    H    TYR   7           H        TYR   7  -3.299  -4.804  -0.194
   53    HA   TYR   7           HA       TYR   7  -2.780  -7.674  -0.884
   54   1HB   TYR   7          1HB       TYR   7  -1.283  -5.907   1.072
   55   2HB   TYR   7          2HB       TYR   7  -0.915  -7.595   0.745
   56    HD1  TYR   7           HD1      TYR   7  -0.495  -8.153  -1.837
   57    HD2  TYR   7           HD2      TYR   7  -0.125  -4.264  -0.141
   58    HE1  TYR   7           HE1      TYR   7   0.919  -7.464  -3.711
   59    HE2  TYR   7           HE2      TYR   7   1.282  -3.580  -2.018
   60    HH   TYR   7           HH       TYR   7   2.026  -5.810  -4.672
   61    H    CYS   8           H        CYS   8  -3.258  -5.446   1.807
   62    HA   CYS   8           HA       CYS   8  -5.064  -7.434   3.150
   63   1HB   CYS   8          1HB       CYS   8  -4.442  -6.475   5.261
   64   2HB   CYS   8          2HB       CYS   8  -2.951  -6.856   4.411
   65    H    GLU   9           H        GLU   9  -6.228  -5.882   4.938
   66    HA   GLU   9           HA       GLU   9  -7.783  -3.960   3.250
   67   1HB   GLU   9          1HB       GLU   9  -9.058  -5.915   4.147
   68   2HB   GLU   9          2HB       GLU   9  -8.638  -5.447   5.779
   69   1HG   GLU   9          2HG       GLU   9 -10.966  -4.686   4.932
   70   2HG   GLU   9          1HG       GLU   9  -9.988  -3.455   5.689
   71    H    PHE  10           H        PHE  10  -5.874  -2.710   3.721
   72    HA   PHE  10           HA       PHE  10  -6.138  -1.076   6.217
   73   1HB   PHE  10          1HB       PHE  10  -3.937  -2.136   6.084
   74   2HB   PHE  10          2HB       PHE  10  -3.686  -1.594   4.431
   75    HD1  PHE  10           HD1      PHE  10  -4.326  -0.293   7.895
   76    HD2  PHE  10           HD2      PHE  10  -2.600   0.497   4.081
   77    HE1  PHE  10           HE1      PHE  10  -3.380   1.800   8.753
   78    HE2  PHE  10           HE2      PHE  10  -1.678   2.644   4.971
   79    HZ   PHE  10           HZ       PHE  10  -2.054   3.262   7.258
   80    H    ARG  11           H        ARG  11  -7.252   0.624   5.755
   81    HA   ARG  11           HA       ARG  11  -6.952   2.022   3.115
   82   1HB   ARG  11          1HB       ARG  11  -9.194   2.901   3.386
   83   2HB   ARG  11          2HB       ARG  11  -9.297   1.187   3.678
   84   1HG   ARG  11          2HG       ARG  11  -9.295   3.351   5.828
   85   2HG   ARG  11          1HG       ARG  11 -10.683   2.464   5.259
   86   1HD   ARG  11          2HD       ARG  11  -8.350   1.292   6.842
   87   2HD   ARG  11          1HD       ARG  11 -10.018   1.462   7.337
   88    HE   ARG  11           HE       ARG  11  -9.218  -0.365   5.094
   89   1HH1  ARG  11          1HH2      ARG  11 -12.089   0.262   5.423
   90   2HH1  ARG  11          2HH2      ARG  11 -12.644  -1.037   6.427
   91   1HH2  ARG  11          1HH1      ARG  11  -9.397  -1.902   7.413
   92   2HH2  ARG  11          2HH1      ARG  11 -11.078  -2.272   7.623
   93    H    SER  12           H        SER  12  -6.260   4.033   3.146
   94    HA   SER  12           HA       SER  12  -5.927   5.516   5.705
   95   1HB   SER  12          2HB       SER  12  -3.655   5.094   3.670
   96   2HB   SER  12          1HB       SER  12  -3.428   5.689   5.264
   97    HG   SER  12           HG       SER  12  -3.794   3.160   4.498
   98    H    ALA  13           H        ALA  13  -5.002   7.830   5.012
   99    HA   ALA  13           HA       ALA  13  -6.610   8.731   2.636
  100   1HB   ALA  13          1HB       ALA  13  -6.038  10.195   5.235
  101   2HB   ALA  13          2HB       ALA  13  -7.567   9.452   4.794
  102   3HB   ALA  13          3HB       ALA  13  -6.973  10.836   3.890
  103    H    ASP  14           H        ASP  14  -3.661   8.005   3.146
  104    HA   ASP  14           HA       ASP  14  -2.512  10.394   1.757
  105   1HB   ASP  14          1HB       ASP  14  -1.783  10.159   4.237
  106   2HB   ASP  14          2HB       ASP  14  -1.035   8.652   3.765
  107    H    SER  15           H        SER  15  -0.566   9.842   0.488
  108    HA   SER  15           HA       SER  15  -0.584   7.008  -0.482
  109   1HB   SER  15          2HB       SER  15  -1.854   8.465  -2.026
  110   2HB   SER  15          1HB       SER  15  -0.498   9.578  -2.172
  111    HG   SER  15           HG       SER  15   0.294   7.018  -2.594
  112    H    SER  16           H        SER  16   1.119   8.182   1.398
  113    HA   SER  16           HA       SER  16   3.798   7.740   0.152
  114   1HB   SER  16          2HB       SER  16   3.236   9.805   2.390
  115   2HB   SER  16          1HB       SER  16   4.756   9.540   1.539
  116    HG   SER  16           HG       SER  16   4.036  10.766   0.027
  117    H    ASN  17           H        ASN  17   1.799   8.023   3.007
  118    HA   ASN  17           HA       ASN  17   3.365   6.288   4.696
  119   1HB   ASN  17          1HB       ASN  17   0.409   7.111   4.857
  120   2HB   ASN  17          2HB       ASN  17   1.299   6.325   6.152
  121   1HD2  ASN  17          2HD2      ASN  17   0.293   9.329   5.182
  122   2HD2  ASN  17          1HD2      ASN  17   1.483  10.278   5.935
  123    H    LEU  18           H        LEU  18   0.561   5.929   2.561
  124    HA   LEU  18           HA       LEU  18   0.144   3.145   3.111
  125   1HB   LEU  18          1HB       LEU  18  -1.590   4.693   2.123
  126   2HB   LEU  18          2HB       LEU  18  -0.612   4.842   0.663
  127    HG   LEU  18           HG       LEU  18  -0.983   2.466   0.119
  128   1HD1  LEU  18          1HD1      LEU  18  -2.494   1.065   1.495
  129   2HD1  LEU  18          2HD1      LEU  18  -2.647   2.350   2.680
  130   3HD1  LEU  18          3HD1      LEU  18  -1.104   1.541   2.446
  131   1HD2  LEU  18          1HD2      LEU  18  -3.571   3.887   0.899
  132   2HD2  LEU  18          2HD2      LEU  18  -3.442   2.561  -0.247
  133   3HD2  LEU  18          3HD2      LEU  18  -2.697   4.108  -0.612
  134    H    LYS  19           H        LYS  19   2.458   4.789   1.157
  135    HA   LYS  19           HA       LYS  19   3.050   2.427  -0.508
  136   1HB   LYS  19          1HB       LYS  19   4.470   5.113  -0.054
  137   2HB   LYS  19          2HB       LYS  19   5.176   3.854  -1.047
  138   1HG   LYS  19          2HG       LYS  19   3.177   3.883  -2.516
  139   2HG   LYS  19          1HG       LYS  19   2.477   5.165  -1.538
  140   1HD   LYS  19          2HD       LYS  19   4.254   6.717  -2.119
  141   2HD   LYS  19          1HD       LYS  19   5.220   5.443  -2.837
  142   1HE   LYS  19          2HE       LYS  19   2.496   6.255  -3.922
  143   2HE   LYS  19          1HE       LYS  19   4.020   6.877  -4.541
  144   1HZ   LYS  19          1HZ       LYS  19   4.222   5.084  -5.765
  145   2HZ   LYS  19          2HZ       LYS  19   2.764   4.458  -5.154
  146   3HZ   LYS  19          3HZ       LYS  19   4.235   4.105  -4.379
  147    H    THR  20           H        THR  20   4.605   4.191   2.151
  148    HA   THR  20           HA       THR  20   6.718   2.381   2.621
  149    HB   THR  20           HB       THR  20   5.074   3.940   4.751
  150    HG1  THR  20           HG1      THR  20   5.728   5.273   3.113
  151   1HG2  THR  20          1HG2      THR  20   6.933   2.346   5.624
  152   2HG2  THR  20          2HG2      THR  20   7.265   4.043   5.929
  153   3HG2  THR  20          3HG2      THR  20   8.065   3.218   4.603
  154    H    HIS  21           H        HIS  21   3.419   2.406   3.927
  155    HA   HIS  21           HA       HIS  21   3.299   0.211   5.531
  156   1HB   HIS  21          1HB       HIS  21   1.299   1.534   5.077
  157   2HB   HIS  21          2HB       HIS  21   1.346   1.141   3.370
  158    HD1  HIS  21           HD1      HIS  21   0.651  -0.590   6.627
  159    HD2  HIS  21           HD2      HIS  21   0.117  -1.178   2.621
  160    HE1  HIS  21           HE1      HIS  21  -0.766  -2.606   6.402
  161    H    ILE  22           H        ILE  22   2.756   0.066   1.995
  162    HA   ILE  22           HA       ILE  22   2.787  -2.711   1.695
  163    HB   ILE  22           HB       ILE  22   3.722  -0.520  -0.217
  164   1HG1  ILE  22          2HG1      ILE  22   1.091  -2.067  -0.050
  165   2HG1  ILE  22          1HG1      ILE  22   1.316  -0.484   0.649
  166   1HG2  ILE  22          1HG2      ILE  22   3.406  -2.215  -2.029
  167   2HG2  ILE  22          2HG2      ILE  22   3.078  -3.441  -0.812
  168   3HG2  ILE  22          3HG2      ILE  22   4.667  -2.709  -0.925
  169   1HD1  ILE  22          1HD       ILE  22   1.591  -1.130  -2.320
  170   2HD1  ILE  22          2HD       ILE  22   1.835   0.454  -1.598
  171   3HD1  ILE  22          3HD       ILE  22   0.249  -0.297  -1.562
  172    H    LYS  23           H        LYS  23   5.609  -0.582   1.233
  173    HA   LYS  23           HA       LYS  23   7.474  -2.564   0.727
  174   1HB   LYS  23          1HB       LYS  23   7.605   0.221   1.868
  175   2HB   LYS  23          2HB       LYS  23   9.059  -0.726   2.077
  176   1HG   LYS  23          2HG       LYS  23   7.709  -0.250  -0.619
  177   2HG   LYS  23          1HG       LYS  23   9.073   0.666  -0.006
  178   1HD   LYS  23          2HD       LYS  23  10.356  -1.549   0.204
  179   2HD   LYS  23          1HD       LYS  23   9.020  -2.337  -0.609
  180   1HE   LYS  23          2HE       LYS  23  10.732  -1.835  -2.254
  181   2HE   LYS  23          1HE       LYS  23   9.339  -0.814  -2.575
  182   1HZ   LYS  23          1HZ       LYS  23  10.625   0.942  -2.359
  183   2HZ   LYS  23          2HZ       LYS  23  11.966  -0.055  -2.044
  184   3HZ   LYS  23          3HZ       LYS  23  11.012   0.505  -0.760
  185    H    THR  24           H        THR  24   6.453  -1.697   3.941
  186    HA   THR  24           HA       THR  24   8.466  -3.603   5.043
  187    HB   THR  24           HB       THR  24   8.411  -1.382   6.097
  188    HG1  THR  24           HG1      THR  24   7.372  -2.612   8.189
  189   1HG2  THR  24          1HG2      THR  24   5.573  -2.114   6.981
  190   2HG2  THR  24          2HG2      THR  24   5.913  -0.885   5.781
  191   3HG2  THR  24          3HG2      THR  24   6.455  -0.669   7.434
  192    H    LYS  25           H        LYS  25   4.958  -3.346   4.749
  193    HA   LYS  25           HA       LYS  25   4.575  -5.758   6.415
  194   1HB   LYS  25          1HB       LYS  25   2.688  -3.732   5.189
  195   2HB   LYS  25          2HB       LYS  25   2.094  -5.181   5.980
  196   1HG   LYS  25          2HG       LYS  25   3.780  -2.964   7.232
  197   2HG   LYS  25          1HG       LYS  25   2.075  -3.200   7.468
  198   1HD   LYS  25          2HD       LYS  25   2.757  -4.270   9.379
  199   2HD   LYS  25          1HD       LYS  25   2.886  -5.640   8.305
  200   1HE   LYS  25          2HE       LYS  25   4.884  -5.413   9.755
  201   2HE   LYS  25          1HE       LYS  25   5.372  -5.241   8.094
  202   1HZ   LYS  25          1HZ       LYS  25   6.174  -3.264   8.563
  203   2HZ   LYS  25          2HZ       LYS  25   5.722  -3.467  10.179
  204   3HZ   LYS  25          3HZ       LYS  25   4.651  -2.725   9.093
  205    H    HIS  26           H        HIS  26   4.641  -4.953   3.036
  206    HA   HIS  26           HA       HIS  26   3.706  -7.728   2.442
  207   1HB   HIS  26          1HB       HIS  26   3.186  -5.172   0.858
  208   2HB   HIS  26          2HB       HIS  26   2.678  -6.782   0.379
  209    HD1  HIS  26           HD1      HIS  26   1.298  -7.887   2.711
  210    HD2  HIS  26           HD2      HIS  26   1.063  -3.888   1.967
  211    HE1  HIS  26           HE1      HIS  26  -0.723  -7.084   3.877
  212    H    SER  27           H        SER  27   6.132  -7.682   2.934
  213    HA   SER  27           HA       SER  27   7.635  -7.330   0.366
  214   1HB   SER  27          2HB       SER  27   8.375  -5.770   2.149
  215   2HB   SER  27          1HB       SER  27   8.732  -7.146   3.203
  216    HG   SER  27           HG       SER  27  10.227  -6.145   1.259
  217    H    LYS  28           H        LYS  28   9.162  -8.814  -0.140
  218    HA   LYS  28           HA       LYS  28   9.196 -11.429   1.296
  219   1HB   LYS  28          1HB       LYS  28   7.695 -11.164  -0.954
  220   2HB   LYS  28          2HB       LYS  28   9.254 -11.303  -1.738
  221   1HG   LYS  28          2HG       LYS  28   9.609 -13.499  -0.448
  222   2HG   LYS  28          1HG       LYS  28   8.004 -13.300   0.207
  223   1HD   LYS  28          2HD       LYS  28   7.844 -14.824  -1.659
  224   2HD   LYS  28          1HD       LYS  28   7.066 -13.326  -2.122
  225   1HE   LYS  28          2HE       LYS  28   8.510 -14.177  -3.956
  226   2HE   LYS  28          1HE       LYS  28   9.106 -12.635  -3.385
  227   1HZ   LYS  28          1HZ       LYS  28  10.279 -14.673  -1.857
  228   2HZ   LYS  28          2HZ       LYS  28  11.021 -13.582  -2.918
  229   3HZ   LYS  28          3HZ       LYS  28  10.439 -15.069  -3.498
  230    H    GLU  29           H        GLU  29  11.118 -12.664  -0.234
  231    HA   GLU  29           HA       GLU  29  13.440 -10.764  -0.097
  232   1HB   GLU  29          1HB       GLU  29  13.393 -13.793   0.270
  233   2HB   GLU  29          2HB       GLU  29  14.808 -12.772   0.421
  234   1HG   GLU  29          2HG       GLU  29  12.346 -12.585   2.223
  235   2HG   GLU  29          1HG       GLU  29  13.837 -13.397   2.643
  236    H    LYS  30           H        LYS  30  15.317 -11.690  -1.411
  237    HA   LYS  30           HA       LYS  30  14.362 -12.112  -4.213
  238   1HB   LYS  30          1HB       LYS  30  17.051 -11.108  -3.181
  239   2HB   LYS  30          2HB       LYS  30  16.567 -11.151  -4.859
  240   1HG   LYS  30          2HG       LYS  30  15.121  -9.527  -2.709
  241   2HG   LYS  30          1HG       LYS  30  16.382  -8.870  -3.716
  242   1HD   LYS  30          2HD       LYS  30  13.781 -10.047  -4.809
  243   2HD   LYS  30          1HD       LYS  30  14.048  -8.343  -4.517
  244   1HE   LYS  30          2HE       LYS  30  15.690 -10.048  -6.452
  245   2HE   LYS  30          1HE       LYS  30  14.453  -8.891  -6.904
  246   1HZ   LYS  30          1HZ       LYS  30  15.953  -7.309  -6.844
  247   2HZ   LYS  30          2HZ       LYS  30  17.150  -8.423  -6.384
  248   3HZ   LYS  30          3HZ       LYS  30  16.250  -7.600  -5.201
  Start of MODEL   20
    1   1H    LYS   1          1H        LYS   1  -7.154   9.125  -1.976
    2   2H    LYS   1          2H        LYS   1  -7.685   9.700  -3.483
    3   3H    LYS   1          3H        LYS   1  -8.329   8.265  -2.847
    4    HA   LYS   1           HA       LYS   1  -8.716  10.248  -0.937
    5   1HB   LYS   1          2HB       LYS   1  -8.419  11.796  -2.999
    6   2HB   LYS   1          1HB       LYS   1  -9.790  10.993  -3.705
    7   1HG   LYS   1          2HG       LYS   1 -10.474  13.119  -2.654
    8   2HG   LYS   1          1HG       LYS   1 -11.277  11.765  -1.908
    9   1HD   LYS   1          2HD       LYS   1 -10.582  13.320  -0.179
   10   2HD   LYS   1          1HD       LYS   1  -9.647  11.861   0.007
   11   1HE   LYS   1          2HE       LYS   1  -8.622  14.336  -1.456
   12   2HE   LYS   1          1HE       LYS   1  -8.310  14.011   0.239
   13   1HZ   LYS   1          1HZ       LYS   1  -6.617  12.766  -0.343
   14   2HZ   LYS   1          2HZ       LYS   1  -6.928  13.070  -1.981
   15   3HZ   LYS   1          3HZ       LYS   1  -7.628  11.727  -1.218
   16    H    THR   2           H        THR   2 -11.082   7.469  -1.033
   17    HA   THR   2           HA       THR   2  -8.371   8.387  -0.176
   18    HB   THR   2           HB       THR   2  -8.725   6.745   1.722
   19    HG1  THR   2           HG1      THR   2 -10.563   5.927  -0.066
   20   1HG2  THR   2          1HG2      THR   2  -9.760   9.093   1.942
   21   2HG2  THR   2          2HG2      THR   2 -10.648   7.851   2.807
   22   3HG2  THR   2          3HG2      THR   2 -11.246   8.440   1.266
   23    H    TYR   3           H        TYR   3  -7.150   6.113   0.506
   24    HA   TYR   3           HA       TYR   3  -7.026   4.503  -2.000
   25   1HB   TYR   3          1HB       TYR   3  -4.780   5.143  -0.105
   26   2HB   TYR   3          2HB       TYR   3  -4.635   4.350  -1.673
   27    HD1  TYR   3           HD1      TYR   3  -5.961   6.055  -3.584
   28    HD2  TYR   3           HD2      TYR   3  -3.836   7.200  -0.076
   29    HE1  TYR   3           HE1      TYR   3  -5.511   8.257  -4.563
   30    HE2  TYR   3           HE2      TYR   3  -3.383   9.387  -1.057
   31    HH   TYR   3           HH       TYR   3  -4.061  10.100  -4.372
   32    H    GLN   4           H        GLN   4  -7.006   2.364  -1.784
   33    HA   GLN   4           HA       GLN   4  -7.005   1.171   0.966
   34   1HB   GLN   4          1HB       GLN   4  -9.235   0.927   0.045
   35   2HB   GLN   4          2HB       GLN   4  -8.616   0.484  -1.529
   36   1HG   GLN   4          2HG       GLN   4  -9.526  -1.470  -0.255
   37   2HG   GLN   4          1HG       GLN   4  -7.857  -1.696  -0.712
   38   1HE2  GLN   4          2HE2      GLN   4  -9.036   0.259   2.051
   39   2HE2  GLN   4          1HE2      GLN   4  -8.315  -0.708   3.247
   40    H    CYS   5           H        CYS   5  -5.663  -0.483   1.266
   41    HA   CYS   5           HA       CYS   5  -3.397  -0.891  -0.390
   42   1HB   CYS   5          1HB       CYS   5  -3.464  -1.238   2.026
   43   2HB   CYS   5          2HB       CYS   5  -4.564  -2.603   1.832
   44    H    GLN   6           H        GLN   6  -2.705  -2.976  -1.339
   45    HA   GLN   6           HA       GLN   6  -4.961  -4.424  -2.697
   46   1HB   GLN   6          1HB       GLN   6  -3.470  -2.878  -4.108
   47   2HB   GLN   6          2HB       GLN   6  -2.119  -3.906  -3.702
   48   1HG   GLN   6          2HG       GLN   6  -2.830  -4.572  -5.888
   49   2HG   GLN   6          1HG       GLN   6  -3.409  -5.848  -4.843
   50   1HE2  GLN   6          1HE2      GLN   6  -4.326  -3.740  -7.277
   51   2HE2  GLN   6          2HE2      GLN   6  -6.013  -3.838  -7.093
   52    H    TYR   7           H        TYR   7  -3.642  -4.940  -0.139
   53    HA   TYR   7           HA       TYR   7  -2.777  -7.746  -0.644
   54   1HB   TYR   7          1HB       TYR   7  -1.387  -5.759   1.183
   55   2HB   TYR   7          2HB       TYR   7  -0.918  -7.443   0.993
   56    HD1  TYR   7           HD1      TYR   7  -0.333  -8.211  -1.443
   57    HD2  TYR   7           HD2      TYR   7  -0.481  -4.124  -0.268
   58    HE1  TYR   7           HE1      TYR   7   1.013  -7.595  -3.396
   59    HE2  TYR   7           HE2      TYR   7   0.851  -3.509  -2.217
   60    HH   TYR   7           HH       TYR   7   2.141  -4.288  -3.895
   61    H    CYS   8           H        CYS   8  -3.341  -5.470   1.964
   62    HA   CYS   8           HA       CYS   8  -5.027  -7.500   3.384
   63   1HB   CYS   8          1HB       CYS   8  -4.299  -6.498   5.464
   64   2HB   CYS   8          2HB       CYS   8  -2.879  -6.868   4.500
   65    H    GLU   9           H        GLU   9  -6.094  -5.939   5.252
   66    HA   GLU   9           HA       GLU   9  -8.006  -4.228   3.721
   67   1HB   GLU   9          1HB       GLU   9  -9.492  -4.591   5.737
   68   2HB   GLU   9          2HB       GLU   9  -9.074  -6.068   4.901
   69   1HG   GLU   9          2HG       GLU   9  -7.348  -6.593   6.601
   70   2HG   GLU   9          1HG       GLU   9  -7.651  -5.079   7.433
   71    H    PHE  10           H        PHE  10  -5.971  -2.874   3.844
   72    HA   PHE  10           HA       PHE  10  -5.998  -1.075   6.241
   73   1HB   PHE  10          1HB       PHE  10  -3.800  -2.106   5.793
   74   2HB   PHE  10          2HB       PHE  10  -3.822  -1.536   4.127
   75    HD1  PHE  10           HD1      PHE  10  -3.734  -0.415   7.686
   76    HD2  PHE  10           HD2      PHE  10  -3.133   0.722   3.617
   77    HE1  PHE  10           HE1      PHE  10  -2.727   1.698   8.418
   78    HE2  PHE  10           HE2      PHE  10  -2.132   2.846   4.378
   79    HZ   PHE  10           HZ       PHE  10  -1.935   3.341   6.740
   80    H    ARG  11           H        ARG  11  -7.128   0.648   5.879
   81    HA   ARG  11           HA       ARG  11  -7.299   1.867   3.143
   82   1HB   ARG  11          1HB       ARG  11  -9.523   2.834   4.064
   83   2HB   ARG  11          2HB       ARG  11  -9.533   1.142   3.651
   84   1HG   ARG  11          2HG       ARG  11  -9.308   0.441   5.957
   85   2HG   ARG  11          1HG       ARG  11  -9.032   2.078   6.513
   86   1HD   ARG  11          2HD       ARG  11 -11.608   1.224   5.139
   87   2HD   ARG  11          1HD       ARG  11 -11.393   1.207   6.885
   88    HE   ARG  11           HE       ARG  11 -11.151   3.680   5.201
   89   1HH1  ARG  11          2HH1      ARG  11 -10.893   2.508   8.347
   90   2HH1  ARG  11          1HH1      ARG  11 -11.915   3.713   9.057
   91   1HH2  ARG  11          1HH2      ARG  11 -12.908   5.018   5.976
   92   2HH2  ARG  11          2HH2      ARG  11 -13.073   5.154   7.696
   93    H    SER  12           H        SER  12  -6.325   3.777   3.029
   94    HA   SER  12           HA       SER  12  -6.308   5.593   5.380
   95   1HB   SER  12          2HB       SER  12  -3.842   4.557   3.912
   96   2HB   SER  12          1HB       SER  12  -3.714   5.813   5.096
   97    HG   SER  12           HG       SER  12  -3.977   4.404   6.607
   98    H    ALA  13           H        ALA  13  -5.379   7.762   4.775
   99    HA   ALA  13           HA       ALA  13  -6.154   8.474   1.960
  100   1HB   ALA  13          1HB       ALA  13  -6.588  10.062   4.519
  101   2HB   ALA  13          2HB       ALA  13  -7.837   9.212   3.626
  102   3HB   ALA  13          3HB       ALA  13  -7.038  10.602   2.907
  103    H    ASP  14           H        ASP  14  -3.542   7.779   2.822
  104    HA   ASP  14           HA       ASP  14  -2.104  10.360   2.315
  105   1HB   ASP  14          1HB       ASP  14  -1.885   9.574   4.733
  106   2HB   ASP  14          2HB       ASP  14  -1.143   8.097   4.133
  107    H    SER  15           H        SER  15  -0.126  10.101   1.146
  108    HA   SER  15           HA       SER  15   0.139   7.518  -0.324
  109   1HB   SER  15          2HB       SER  15   0.299  10.398  -1.413
  110   2HB   SER  15          1HB       SER  15   0.744   8.978  -2.370
  111    HG   SER  15           HG       SER  15  -1.674   9.862  -2.045
  112    H    SER  16           H        SER  16   1.501   8.838   1.994
  113    HA   SER  16           HA       SER  16   4.314   8.527   1.006
  114   1HB   SER  16          2HB       SER  16   4.993  10.151   2.789
  115   2HB   SER  16          1HB       SER  16   3.755  10.904   1.778
  116    HG   SER  16           HG       SER  16   2.524   9.486   3.640
  117    H    ASN  17           H        ASN  17   1.876   7.905   3.432
  118    HA   ASN  17           HA       ASN  17   3.672   5.949   4.798
  119   1HB   ASN  17          1HB       ASN  17   2.617   7.750   6.190
  120   2HB   ASN  17          2HB       ASN  17   1.030   7.161   5.710
  121   1HD2  ASN  17          1HD2      ASN  17   0.123   5.835   7.254
  122   2HD2  ASN  17          2HD2      ASN  17   0.982   4.819   8.305
  123    H    LEU  18           H        LEU  18   1.666   5.878   2.283
  124    HA   LEU  18           HA       LEU  18   0.267   3.351   3.062
  125   1HB   LEU  18          1HB       LEU  18  -1.238   5.017   2.079
  126   2HB   LEU  18          2HB       LEU  18  -0.146   5.257   0.719
  127    HG   LEU  18           HG       LEU  18  -0.559   2.959  -0.094
  128   1HD1  LEU  18          1HD1      LEU  18  -2.200   1.462   1.027
  129   2HD1  LEU  18          2HD1      LEU  18  -2.429   2.639   2.304
  130   3HD1  LEU  18          3HD1      LEU  18  -0.895   1.801   2.138
  131   1HD2  LEU  18          1HD2      LEU  18  -2.979   3.180  -0.593
  132   2HD2  LEU  18          2HD2      LEU  18  -2.158   4.728  -0.748
  133   3HD2  LEU  18          3HD2      LEU  18  -3.110   4.381   0.690
  134    H    LYS  19           H        LYS  19   2.388   4.899   0.740
  135    HA   LYS  19           HA       LYS  19   2.908   2.475  -0.777
  136   1HB   LYS  19          1HB       LYS  19   4.350   5.190  -0.521
  137   2HB   LYS  19          2HB       LYS  19   4.937   3.950  -1.605
  138   1HG   LYS  19          2HG       LYS  19   3.510   5.698  -2.729
  139   2HG   LYS  19          1HG       LYS  19   2.939   4.064  -2.978
  140   1HD   LYS  19          2HD       LYS  19   1.173   4.356  -1.316
  141   2HD   LYS  19          1HD       LYS  19   1.824   5.911  -0.825
  142   1HE   LYS  19          2HE       LYS  19   1.250   6.860  -3.006
  143   2HE   LYS  19          1HE       LYS  19   0.754   5.282  -3.606
  144   1HZ   LYS  19          1HZ       LYS  19  -1.240   5.636  -2.762
  145   2HZ   LYS  19          2HZ       LYS  19  -0.751   7.139  -2.138
  146   3HZ   LYS  19          3HZ       LYS  19  -0.576   5.746  -1.203
  147    H    THR  20           H        THR  20   4.336   4.175   1.942
  148    HA   THR  20           HA       THR  20   6.568   2.345   2.207
  149    HB   THR  20           HB       THR  20   5.187   4.192   4.296
  150    HG1  THR  20           HG1      THR  20   6.162   5.555   3.044
  151   1HG2  THR  20          1HG2      THR  20   7.344   3.993   5.525
  152   2HG2  THR  20          2HG2      THR  20   8.009   2.966   4.262
  153   3HG2  THR  20          3HG2      THR  20   6.726   2.367   5.300
  154    H    HIS  21           H        HIS  21   3.308   2.604   3.613
  155    HA   HIS  21           HA       HIS  21   3.265   0.415   5.343
  156   1HB   HIS  21          1HB       HIS  21   1.193   1.685   5.135
  157   2HB   HIS  21          2HB       HIS  21   1.085   1.408   3.416
  158    HD1  HIS  21           HD1      HIS  21   0.526  -0.415   6.610
  159    HD2  HIS  21           HD2      HIS  21   0.018  -1.016   2.606
  160    HE1  HIS  21           HE1      HIS  21  -0.815  -2.482   6.383
  161    H    ILE  22           H        ILE  22   2.376   0.250   1.840
  162    HA   ILE  22           HA       ILE  22   2.328  -2.491   1.587
  163    HB   ILE  22           HB       ILE  22   3.190  -0.349  -0.424
  164   1HG1  ILE  22          2HG1      ILE  22   0.553  -1.820   0.018
  165   2HG1  ILE  22          1HG1      ILE  22   0.876  -0.176   0.509
  166   1HG2  ILE  22          1HG2      ILE  22   2.763  -2.069  -2.197
  167   2HG2  ILE  22          2HG2      ILE  22   2.509  -3.273  -0.939
  168   3HG2  ILE  22          3HG2      ILE  22   4.084  -2.549  -1.163
  169   1HD1  ILE  22          1HD       ILE  22   0.868  -1.145  -2.376
  170   2HD1  ILE  22          2HD       ILE  22   1.246   0.490  -1.855
  171   3HD1  ILE  22          3HD       ILE  22  -0.359  -0.167  -1.596
  172    H    LYS  23           H        LYS  23   5.220  -0.523   0.841
  173    HA   LYS  23           HA       LYS  23   6.970  -2.552   0.246
  174   1HB   LYS  23          1HB       LYS  23   7.320  -0.083   0.027
  175   2HB   LYS  23          2HB       LYS  23   7.575   0.028   1.752
  176   1HG   LYS  23          2HG       LYS  23   9.273  -1.894   0.156
  177   2HG   LYS  23          1HG       LYS  23   9.618  -0.182   0.051
  178   1HD   LYS  23          2HD       LYS  23  10.010  -0.032   2.441
  179   2HD   LYS  23          1HD       LYS  23   9.504  -1.683   2.722
  180   1HE   LYS  23          2HE       LYS  23  11.965  -1.563   2.635
  181   2HE   LYS  23          1HE       LYS  23  11.376  -2.498   1.269
  182   1HZ   LYS  23          1HZ       LYS  23  11.469   0.209   0.549
  183   2HZ   LYS  23          2HZ       LYS  23  12.353  -1.093  -0.086
  184   3HZ   LYS  23          3HZ       LYS  23  12.959  -0.219   1.239
  185    H    THR  24           H        THR  24   6.363  -1.381   3.515
  186    HA   THR  24           HA       THR  24   8.277  -3.258   4.688
  187    HB   THR  24           HB       THR  24   7.513  -2.198   6.877
  188    HG1  THR  24           HG1      THR  24   5.595  -1.399   6.726
  189   1HG2  THR  24          1HG2      THR  24   8.251   0.107   6.345
  190   2HG2  THR  24          2HG2      THR  24   7.950  -0.135   4.631
  191   3HG2  THR  24          3HG2      THR  24   9.263  -0.992   5.424
  192    H    LYS  25           H        LYS  25   4.774  -3.031   4.581
  193    HA   LYS  25           HA       LYS  25   4.351  -5.272   6.373
  194   1HB   LYS  25          1HB       LYS  25   2.424  -3.708   4.627
  195   2HB   LYS  25          2HB       LYS  25   1.945  -4.820   5.898
  196   1HG   LYS  25          2HG       LYS  25   3.509  -2.214   6.253
  197   2HG   LYS  25          1HG       LYS  25   1.843  -2.490   6.697
  198   1HD   LYS  25          2HD       LYS  25   2.597  -4.239   8.338
  199   2HD   LYS  25          1HD       LYS  25   4.263  -3.835   7.956
  200   1HE   LYS  25          2HE       LYS  25   2.213  -1.872   9.059
  201   2HE   LYS  25          1HE       LYS  25   3.497  -2.625   9.987
  202   1HZ   LYS  25          1HZ       LYS  25   4.840  -1.032   9.368
  203   2HZ   LYS  25          2HZ       LYS  25   3.595  -0.305   8.475
  204   3HZ   LYS  25          3HZ       LYS  25   4.643  -1.396   7.726
  205    H    HIS  26           H        HIS  26   4.410  -4.851   2.882
  206    HA   HIS  26           HA       HIS  26   3.736  -7.734   2.573
  207   1HB   HIS  26          1HB       HIS  26   3.134  -5.451   0.647
  208   2HB   HIS  26          2HB       HIS  26   2.608  -7.118   0.502
  209    HD1  HIS  26           HD1      HIS  26   1.350  -7.819   2.972
  210    HD2  HIS  26           HD2      HIS  26   1.059  -3.925   1.756
  211    HE1  HIS  26           HE1      HIS  26  -0.596  -6.860   4.157
  212    H    SER  27           H        SER  27   5.232  -5.081   1.000
  213    HA   SER  27           HA       SER  27   7.416  -4.703   0.197
  214   1HB   SER  27          2HB       SER  27   9.100  -6.459   0.203
  215   2HB   SER  27          1HB       SER  27   8.031  -7.040   1.457
  216    HG   SER  27           HG       SER  27   8.514  -8.082  -0.983
  217    H    LYS  28           H        LYS  28   7.472  -5.374  -3.252
  218    HA   LYS  28           HA       LYS  28   9.057  -4.542  -0.881
  219   1HB   LYS  28          1HB       LYS  28   9.842  -6.836  -1.659
  220   2HB   LYS  28          2HB       LYS  28  10.103  -6.188  -3.246
  221   1HG   LYS  28          2HG       LYS  28  12.214  -6.283  -2.053
  222   2HG   LYS  28          1HG       LYS  28  11.803  -4.602  -2.318
  223   1HD   LYS  28          2HD       LYS  28  10.910  -4.476   0.046
  224   2HD   LYS  28          1HD       LYS  28  11.369  -6.155   0.278
  225   1HE   LYS  28          2HE       LYS  28  13.740  -5.574  -0.129
  226   2HE   LYS  28          1HE       LYS  28  13.289  -3.896  -0.411
  227   1HZ   LYS  28          1HZ       LYS  28  12.168  -4.710   2.013
  228   2HZ   LYS  28          2HZ       LYS  28  13.370  -3.544   1.739
  229   3HZ   LYS  28          3HZ       LYS  28  13.806  -5.163   2.017
  230    H    GLU  29           H        GLU  29   9.919  -4.703  -4.205
  231    HA   GLU  29           HA       GLU  29   9.807  -1.741  -4.544
  232   1HB   GLU  29          1HB       GLU  29  12.123  -2.546  -3.906
  233   2HB   GLU  29          2HB       GLU  29  12.134  -3.591  -5.307
  234   1HG   GLU  29          2HG       GLU  29  12.107  -1.678  -6.829
  235   2HG   GLU  29          1HG       GLU  29  11.838  -0.560  -5.495
  236    H    LYS  30           H        LYS  30  10.373  -1.415  -7.076
  237    HA   LYS  30           HA       LYS  30   8.470  -3.171  -8.565
  238   1HB   LYS  30          1HB       LYS  30   8.249  -1.279 -10.130
  239   2HB   LYS  30          2HB       LYS  30   7.937  -0.738  -8.496
  240   1HG   LYS  30          2HG       LYS  30  10.155   0.262  -8.302
  241   2HG   LYS  30          1HG       LYS  30  10.670  -0.432  -9.829
  242   1HD   LYS  30          2HD       LYS  30   8.934   0.887 -11.022
  243   2HD   LYS  30          1HD       LYS  30   8.439   1.617  -9.505
  244   1HE   LYS  30          2HE       LYS  30  10.711   2.595  -9.240
  245   2HE   LYS  30          1HE       LYS  30  11.235   1.799 -10.719
  246   1HZ   LYS  30          1HZ       LYS  30   8.902   3.227 -11.278
  247   2HZ   LYS  30          2HZ       LYS  30  10.477   3.491 -11.860
  248   3HZ   LYS  30          3HZ       LYS  30   9.955   4.261 -10.441
  Start of MODEL   21
    1   1H    LYS   1          1H        LYS   1  -8.001  12.269  -1.224
    2   2H    LYS   1          2H        LYS   1  -8.594  11.372  -2.538
    3   3H    LYS   1          3H        LYS   1  -6.987  11.179  -2.031
    4    HA   LYS   1           HA       LYS   1  -7.551   9.568  -0.700
    5   1HB   LYS   1          2HB       LYS   1  -8.945  10.096   1.313
    6   2HB   LYS   1          1HB       LYS   1  -7.847  11.411   0.966
    7   1HG   LYS   1          2HG       LYS   1  -9.734  12.594  -0.255
    8   2HG   LYS   1          1HG       LYS   1 -10.803  11.279   0.190
    9   1HD   LYS   1          2HD       LYS   1 -11.166  13.051   1.761
   10   2HD   LYS   1          1HD       LYS   1 -10.344  11.757   2.607
   11   1HE   LYS   1          2HE       LYS   1  -8.172  12.978   2.359
   12   2HE   LYS   1          1HE       LYS   1  -9.001  14.254   1.478
   13   1HZ   LYS   1          1HZ       LYS   1  -8.709  13.945   4.228
   14   2HZ   LYS   1          2HZ       LYS   1 -10.364  13.794   3.873
   15   3HZ   LYS   1          3HZ       LYS   1  -9.515  15.179   3.383
   16    H    THR   2           H        THR   2 -10.686   7.873  -1.319
   17    HA   THR   2           HA       THR   2  -8.411   8.206   0.602
   18    HB   THR   2           HB       THR   2  -9.498   6.220   1.761
   19    HG1  THR   2           HG1      THR   2 -10.722   6.187  -0.638
   20   1HG2  THR   2          1HG2      THR   2 -11.529   8.430   1.093
   21   2HG2  THR   2          2HG2      THR   2 -10.316   8.572   2.354
   22   3HG2  THR   2          3HG2      THR   2 -11.580   7.363   2.488
   23    H    TYR   3           H        TYR   3  -7.089   6.172   0.915
   24    HA   TYR   3           HA       TYR   3  -6.718   4.736  -1.659
   25   1HB   TYR   3          1HB       TYR   3  -4.569   5.505   0.367
   26   2HB   TYR   3          2HB       TYR   3  -4.342   4.898  -1.268
   27    HD1  TYR   3           HD1      TYR   3  -5.829   6.438  -3.070
   28    HD2  TYR   3           HD2      TYR   3  -4.110   7.784   0.589
   29    HE1  TYR   3           HE1      TYR   3  -5.847   8.740  -3.902
   30    HE2  TYR   3           HE2      TYR   3  -4.125  10.077  -0.251
   31    HH   TYR   3           HH       TYR   3  -4.646  11.428  -1.913
   32    H    GLN   4           H        GLN   4  -6.861   2.634  -1.497
   33    HA   GLN   4           HA       GLN   4  -6.771   1.327   1.197
   34   1HB   GLN   4          1HB       GLN   4  -9.041   1.262   0.312
   35   2HB   GLN   4          2HB       GLN   4  -8.482   0.763  -1.267
   36   1HG   GLN   4          2HG       GLN   4  -9.495  -1.129   0.005
   37   2HG   GLN   4          1HG       GLN   4  -7.820  -1.449  -0.375
   38   1HE2  GLN   4          2HE2      GLN   4  -6.696  -2.283   1.329
   39   2HE2  GLN   4          1HE2      GLN   4  -7.036  -1.993   2.966
   40    H    CYS   5           H        CYS   5  -5.494  -0.366   1.434
   41    HA   CYS   5           HA       CYS   5  -3.278  -0.827  -0.249
   42   1HB   CYS   5          1HB       CYS   5  -3.313  -1.326   2.133
   43   2HB   CYS   5          2HB       CYS   5  -4.532  -2.581   1.888
   44    H    GLN   6           H        GLN   6  -2.693  -2.765  -1.407
   45    HA   GLN   6           HA       GLN   6  -5.019  -4.128  -2.724
   46   1HB   GLN   6          1HB       GLN   6  -3.637  -4.163  -4.778
   47   2HB   GLN   6          2HB       GLN   6  -3.811  -2.519  -4.192
   48   1HG   GLN   6          2HG       GLN   6  -1.563  -2.728  -3.049
   49   2HG   GLN   6          1HG       GLN   6  -1.403  -4.333  -3.738
   50   1HE2  GLN   6          1HE2      GLN   6  -2.928  -2.151  -5.950
   51   2HE2  GLN   6          2HE2      GLN   6  -1.541  -1.808  -6.866
   52    H    TYR   7           H        TYR   7  -3.509  -4.892  -0.359
   53    HA   TYR   7           HA       TYR   7  -2.647  -7.627  -1.186
   54   1HB   TYR   7          1HB       TYR   7  -1.307  -5.823   0.871
   55   2HB   TYR   7          2HB       TYR   7  -0.822  -7.476   0.518
   56    HD1  TYR   7           HD1      TYR   7  -0.039  -8.000  -1.897
   57    HD2  TYR   7           HD2      TYR   7  -0.481  -4.023  -0.435
   58    HE1  TYR   7           HE1      TYR   7   1.374  -7.164  -3.717
   59    HE2  TYR   7           HE2      TYR   7   0.935  -3.203  -2.254
   60    HH   TYR   7           HH       TYR   7   1.534  -3.966  -4.578
   61    H    CYS   8           H        CYS   8  -3.270  -5.557   1.585
   62    HA   CYS   8           HA       CYS   8  -5.105  -7.613   2.777
   63   1HB   CYS   8          1HB       CYS   8  -4.464  -6.836   4.964
   64   2HB   CYS   8          2HB       CYS   8  -2.973  -7.180   4.100
   65    H    GLU   9           H        GLU   9  -6.113  -5.932   4.743
   66    HA   GLU   9           HA       GLU   9  -7.561  -3.904   3.097
   67   1HB   GLU   9          1HB       GLU   9  -8.896  -5.944   3.950
   68   2HB   GLU   9          2HB       GLU   9  -8.662  -5.328   5.570
   69   1HG   GLU   9          2HG       GLU   9 -10.844  -4.560   4.686
   70   2HG   GLU   9          1HG       GLU   9  -9.806  -3.171   4.902
   71    H    PHE  10           H        PHE  10  -5.571  -2.838   3.743
   72    HA   PHE  10           HA       PHE  10  -5.700  -1.396   6.360
   73   1HB   PHE  10          1HB       PHE  10  -3.461  -2.304   5.921
   74   2HB   PHE  10          2HB       PHE  10  -3.495  -1.768   4.249
   75    HD1  PHE  10           HD1      PHE  10  -3.097  -0.614   7.771
   76    HD2  PHE  10           HD2      PHE  10  -3.018   0.515   3.666
   77    HE1  PHE  10           HE1      PHE  10  -2.055   1.527   8.374
   78    HE2  PHE  10           HE2      PHE  10  -1.972   2.684   4.295
   79    HZ   PHE  10           HZ       PHE  10  -1.504   3.183   6.595
   80    H    ARG  11           H        ARG  11  -6.614   0.593   6.243
   81    HA   ARG  11           HA       ARG  11  -6.823   1.915   3.555
   82   1HB   ARG  11          1HB       ARG  11  -8.974   2.844   4.291
   83   2HB   ARG  11          2HB       ARG  11  -8.999   1.095   4.395
   84   1HG   ARG  11          2HG       ARG  11  -8.512   1.253   6.866
   85   2HG   ARG  11          1HG       ARG  11  -8.593   2.999   6.750
   86   1HD   ARG  11          2HD       ARG  11 -10.939   2.808   5.866
   87   2HD   ARG  11          1HD       ARG  11 -10.865   1.078   6.175
   88    HE   ARG  11           HE       ARG  11 -10.440   1.616   8.577
   89   1HH1  ARG  11          2HH1      ARG  11 -11.341   4.353   6.664
   90   2HH1  ARG  11          1HH1      ARG  11 -12.279   5.064   7.929
   91   1HH2  ARG  11          1HH2      ARG  11 -11.801   2.404  10.126
   92   2HH2  ARG  11          2HH2      ARG  11 -12.534   3.959   9.919
   93    H    SER  12           H        SER  12  -6.070   3.898   3.350
   94    HA   SER  12           HA       SER  12  -5.667   5.649   5.698
   95   1HB   SER  12          2HB       SER  12  -3.437   4.748   3.797
   96   2HB   SER  12          1HB       SER  12  -3.118   5.875   5.050
   97    HG   SER  12           HG       SER  12  -3.161   4.405   6.476
   98    H    ALA  13           H        ALA  13  -4.908   7.842   4.927
   99    HA   ALA  13           HA       ALA  13  -5.910   8.470   2.178
  100   1HB   ALA  13          1HB       ALA  13  -7.154  10.413   3.127
  101   2HB   ALA  13          2HB       ALA  13  -6.646   9.955   4.750
  102   3HB   ALA  13          3HB       ALA  13  -7.735   8.917   3.839
  103    H    ASP  14           H        ASP  14  -3.328   8.076   2.888
  104    HA   ASP  14           HA       ASP  14  -2.164  10.839   3.063
  105   1HB   ASP  14          1HB       ASP  14  -1.577   9.248   4.909
  106   2HB   ASP  14          2HB       ASP  14  -0.887   8.148   3.725
  107    H    SER  15           H        SER  15  -1.246   7.714   1.800
  108    HA   SER  15           HA       SER  15  -1.035   7.074  -0.520
  109   1HB   SER  15          2HB       SER  15  -1.573   9.404  -1.480
  110   2HB   SER  15          1HB       SER  15   0.076   9.910  -1.063
  111    HG   SER  15           HG       SER  15   0.734   8.863  -2.726
  112    H    SER  16           H        SER  16   1.356   9.516   0.498
  113    HA   SER  16           HA       SER  16   3.683   8.128  -0.223
  114   1HB   SER  16          2HB       SER  16   3.358   9.962   2.229
  115   2HB   SER  16          1HB       SER  16   4.871   9.588   1.394
  116    HG   SER  16           HG       SER  16   3.045  10.293  -0.417
  117    H    ASN  17           H        ASN  17   1.868   8.022   2.736
  118    HA   ASN  17           HA       ASN  17   3.553   5.974   3.956
  119   1HB   ASN  17          1HB       ASN  17   1.007   7.384   4.834
  120   2HB   ASN  17          2HB       ASN  17   1.831   6.187   5.827
  121   1HD2  ASN  17          1HD2      ASN  17   4.558   7.229   4.614
  122   2HD2  ASN  17          2HD2      ASN  17   4.825   8.643   5.506
  123    H    LEU  18           H        LEU  18   0.917   5.838   1.806
  124    HA   LEU  18           HA       LEU  18  -0.060   3.249   2.828
  125   1HB   LEU  18          1HB       LEU  18  -1.629   4.690   1.450
  126   2HB   LEU  18          2HB       LEU  18  -0.504   4.604   0.100
  127    HG   LEU  18           HG       LEU  18  -0.863   2.172  -0.136
  128   1HD1  LEU  18          1HD1      LEU  18  -2.478   0.950   1.295
  129   2HD1  LEU  18          2HD1      LEU  18  -2.731   2.391   2.258
  130   3HD1  LEU  18          3HD1      LEU  18  -1.175   1.566   2.285
  131   1HD2  LEU  18          1HD2      LEU  18  -2.544   3.657  -1.203
  132   2HD2  LEU  18          2HD2      LEU  18  -3.521   3.589   0.265
  133   3HD2  LEU  18          3HD2      LEU  18  -3.267   2.140  -0.688
  134    H    LYS  19           H        LYS  19   1.967   4.622   0.301
  135    HA   LYS  19           HA       LYS  19   2.867   2.152  -0.849
  136   1HB   LYS  19          1HB       LYS  19   4.383   4.832  -0.574
  137   2HB   LYS  19          2HB       LYS  19   4.803   3.550  -1.695
  138   1HG   LYS  19          2HG       LYS  19   2.618   3.831  -2.857
  139   2HG   LYS  19          1HG       LYS  19   2.147   5.067  -1.722
  140   1HD   LYS  19          2HD       LYS  19   2.916   6.212  -3.683
  141   2HD   LYS  19          1HD       LYS  19   4.151   6.442  -2.462
  142   1HE   LYS  19          2HE       LYS  19   5.176   5.867  -4.640
  143   2HE   LYS  19          1HE       LYS  19   5.499   4.588  -3.481
  144   1HZ   LYS  19          1HZ       LYS  19   4.228   4.404  -5.942
  145   2HZ   LYS  19          2HZ       LYS  19   3.059   4.062  -4.759
  146   3HZ   LYS  19          3HZ       LYS  19   4.498   3.169  -4.808
  147    H    THR  20           H        THR  20   4.078   4.214   1.781
  148    HA   THR  20           HA       THR  20   6.306   2.646   2.532
  149    HB   THR  20           HB       THR  20   4.359   4.058   4.527
  150    HG1  THR  20           HG1      THR  20   5.877   5.031   2.518
  151   1HG2  THR  20          1HG2      THR  20   7.404   3.717   4.601
  152   2HG2  THR  20          2HG2      THR  20   6.296   2.743   5.556
  153   3HG2  THR  20          3HG2      THR  20   6.409   4.472   5.837
  154    H    HIS  21           H        HIS  21   2.997   2.445   3.804
  155    HA   HIS  21           HA       HIS  21   3.109   0.225   5.413
  156   1HB   HIS  21          1HB       HIS  21   1.003   1.380   5.160
  157   2HB   HIS  21          2HB       HIS  21   0.931   1.107   3.435
  158    HD1  HIS  21           HD1      HIS  21   0.461  -0.781   6.621
  159    HD2  HIS  21           HD2      HIS  21  -0.080  -1.305   2.609
  160    HE1  HIS  21           HE1      HIS  21  -0.823  -2.879   6.366
  161    H    ILE  22           H        ILE  22   2.467   0.064   1.879
  162    HA   ILE  22           HA       ILE  22   2.588  -2.692   1.547
  163    HB   ILE  22           HB       ILE  22   3.528  -0.465  -0.324
  164   1HG1  ILE  22          2HG1      ILE  22   0.922  -2.069  -0.276
  165   2HG1  ILE  22          1HG1      ILE  22   1.086  -0.505   0.484
  166   1HG2  ILE  22          1HG2      ILE  22   2.950  -3.394  -0.963
  167   2HG2  ILE  22          2HG2      ILE  22   4.533  -2.643  -1.029
  168   3HG2  ILE  22          3HG2      ILE  22   3.293  -2.154  -2.159
  169   1HD1  ILE  22          1HD       ILE  22   1.640   0.528  -1.702
  170   2HD1  ILE  22          2HD       ILE  22   0.084  -0.275  -1.748
  171   3HD1  ILE  22          3HD       ILE  22   1.479  -1.029  -2.494
  172    H    LYS  23           H        LYS  23   5.406  -0.509   1.395
  173    HA   LYS  23           HA       LYS  23   7.338  -2.515   0.911
  174   1HB   LYS  23          1HB       LYS  23   7.777  -0.142   0.490
  175   2HB   LYS  23          2HB       LYS  23   7.558   0.252   2.177
  176   1HG   LYS  23          2HG       LYS  23   9.932   0.252   1.675
  177   2HG   LYS  23          1HG       LYS  23   9.600  -1.075   2.761
  178   1HD   LYS  23          2HD       LYS  23   9.562  -2.641   0.766
  179   2HD   LYS  23          1HD       LYS  23   9.946  -1.270  -0.264
  180   1HE   LYS  23          2HE       LYS  23  12.022  -2.474   0.280
  181   2HE   LYS  23          1HE       LYS  23  12.060  -0.924   1.099
  182   1HZ   LYS  23          1HZ       LYS  23  12.236  -1.964   3.014
  183   2HZ   LYS  23          2HZ       LYS  23  12.252  -3.459   2.208
  184   3HZ   LYS  23          3HZ       LYS  23  10.782  -2.803   2.747
  185    H    THR  24           H        THR  24   6.063  -1.413   3.926
  186    HA   THR  24           HA       THR  24   8.034  -2.924   5.523
  187    HB   THR  24           HB       THR  24   5.713  -1.139   6.428
  188    HG1  THR  24           HG1      THR  24   8.093  -0.702   5.252
  189   1HG2  THR  24          1HG2      THR  24   6.732  -2.683   8.244
  190   2HG2  THR  24          2HG2      THR  24   7.027  -0.977   8.520
  191   3HG2  THR  24          3HG2      THR  24   8.298  -1.991   7.859
  192    H    LYS  25           H        LYS  25   4.683  -3.229   4.653
  193    HA   LYS  25           HA       LYS  25   4.281  -5.508   6.482
  194   1HB   LYS  25          1HB       LYS  25   2.270  -3.973   4.819
  195   2HB   LYS  25          2HB       LYS  25   1.879  -5.162   6.046
  196   1HG   LYS  25          2HG       LYS  25   3.332  -2.513   6.508
  197   2HG   LYS  25          1HG       LYS  25   1.650  -2.825   6.857
  198   1HD   LYS  25          2HD       LYS  25   2.287  -4.537   8.536
  199   2HD   LYS  25          1HD       LYS  25   3.986  -4.241   8.204
  200   1HE   LYS  25          2HE       LYS  25   3.264  -2.957  10.195
  201   2HE   LYS  25          1HE       LYS  25   3.728  -1.867   8.898
  202   1HZ   LYS  25          1HZ       LYS  25   1.005  -2.468   8.628
  203   2HZ   LYS  25          2HZ       LYS  25   1.737  -0.976   8.970
  204   3HZ   LYS  25          3HZ       LYS  25   1.298  -2.015  10.238
  205    H    HIS  26           H        HIS  26   4.444  -4.969   2.988
  206    HA   HIS  26           HA       HIS  26   3.695  -7.842   2.651
  207   1HB   HIS  26          1HB       HIS  26   3.251  -5.534   0.731
  208   2HB   HIS  26          2HB       HIS  26   2.794  -7.206   0.456
  209    HD1  HIS  26           HD1      HIS  26   1.213  -8.117   2.575
  210    HD2  HIS  26           HD2      HIS  26   1.198  -4.085   1.907
  211    HE1  HIS  26           HE1      HIS  26  -0.819  -7.237   3.665
  212    H    SER  27           H        SER  27   5.607  -5.327   1.323
  213    HA   SER  27           HA       SER  27   8.070  -5.700   0.950
  214   1HB   SER  27          2HB       SER  27   7.909  -8.248   0.667
  215   2HB   SER  27          1HB       SER  27   7.027  -8.009  -0.850
  216    HG   SER  27           HG       SER  27   9.323  -6.535  -0.662
  217    H    LYS  28           H        LYS  28   8.976  -5.337  -1.390
  218    HA   LYS  28           HA       LYS  28   6.959  -3.749  -2.938
  219   1HB   LYS  28          1HB       LYS  28   8.826  -2.307  -3.622
  220   2HB   LYS  28          2HB       LYS  28   8.737  -2.371  -1.876
  221   1HG   LYS  28          2HG       LYS  28  10.577  -3.997  -1.786
  222   2HG   LYS  28          1HG       LYS  28  10.622  -4.117  -3.536
  223   1HD   LYS  28          2HD       LYS  28  11.133  -1.636  -3.623
  224   2HD   LYS  28          1HD       LYS  28  11.297  -1.652  -1.878
  225   1HE   LYS  28          2HE       LYS  28  12.923  -3.361  -3.805
  226   2HE   LYS  28          1HE       LYS  28  13.504  -1.925  -2.978
  227   1HZ   LYS  28          1HZ       LYS  28  13.463  -4.547  -2.054
  228   2HZ   LYS  28          2HZ       LYS  28  12.406  -3.651  -1.074
  229   3HZ   LYS  28          3HZ       LYS  28  14.021  -3.156  -1.254
  230    H    GLU  29           H        GLU  29   8.187  -6.647  -3.053
  231    HA   GLU  29           HA       GLU  29   9.118  -6.633  -5.877
  232   1HB   GLU  29          1HB       GLU  29  10.369  -7.948  -4.118
  233   2HB   GLU  29          2HB       GLU  29   8.937  -8.923  -3.868
  234   1HG   GLU  29          2HG       GLU  29   9.035  -9.748  -6.200
  235   2HG   GLU  29          1HG       GLU  29  10.382  -8.680  -6.554
  236    H    LYS  30           H        LYS  30   8.214  -8.127  -7.346
  237    HA   LYS  30           HA       LYS  30   5.331  -8.775  -6.945
  238   1HB   LYS  30          1HB       LYS  30   5.049  -8.228  -9.400
  239   2HB   LYS  30          2HB       LYS  30   5.417  -6.850  -8.397
  240   1HG   LYS  30          2HG       LYS  30   7.668  -8.305  -9.832
  241   2HG   LYS  30          1HG       LYS  30   6.681  -7.153 -10.702
  242   1HD   LYS  30          2HD       LYS  30   7.278  -5.409  -8.948
  243   2HD   LYS  30          1HD       LYS  30   8.393  -6.554  -8.230
  244   1HE   LYS  30          2HE       LYS  30   9.647  -6.729 -10.339
  245   2HE   LYS  30          1HE       LYS  30   8.538  -5.598 -11.102
  246   1HZ   LYS  30          1HZ       LYS  30   9.461  -4.468  -8.715
  247   2HZ   LYS  30          2HZ       LYS  30   9.723  -3.947 -10.309
  248   3HZ   LYS  30          3HZ       LYS  30  10.801  -5.040  -9.588
  Start of MODEL   22
    1   1H    LYS   1          1H        LYS   1 -10.735  10.767  -3.264
    2   2H    LYS   1          2H        LYS   1  -9.524   9.589  -3.099
    3   3H    LYS   1          3H        LYS   1  -9.301  10.897  -4.161
    4    HA   LYS   1           HA       LYS   1  -8.348  12.051  -2.579
    5   1HB   LYS   1          2HB       LYS   1 -10.766  12.770  -2.198
    6   2HB   LYS   1          1HB       LYS   1 -10.891  11.561  -0.942
    7   1HG   LYS   1          2HG       LYS   1  -8.626  13.576  -0.786
    8   2HG   LYS   1          1HG       LYS   1 -10.234  14.135  -0.416
    9   1HD   LYS   1          2HD       LYS   1  -9.014  11.709   0.982
   10   2HD   LYS   1          1HD       LYS   1  -8.843  13.347   1.575
   11   1HE   LYS   1          2HE       LYS   1 -11.268  13.600   1.763
   12   2HE   LYS   1          1HE       LYS   1 -11.541  12.025   1.042
   13   1HZ   LYS   1          1HZ       LYS   1 -11.087  12.649   3.716
   14   2HZ   LYS   1          2HZ       LYS   1  -9.783  11.695   3.181
   15   3HZ   LYS   1          3HZ       LYS   1 -11.374  11.126   3.015
   16    H    THR   2           H        THR   2  -9.833   9.095  -1.409
   17    HA   THR   2           HA       THR   2  -7.641   8.730   0.597
   18    HB   THR   2           HB       THR   2  -9.210   7.004   1.612
   19    HG1  THR   2           HG1      THR   2 -10.641   6.297   0.258
   20   1HG2  THR   2          1HG2      THR   2 -11.038   8.552   2.276
   21   2HG2  THR   2          2HG2      THR   2 -10.722   9.587   0.897
   22   3HG2  THR   2          3HG2      THR   2  -9.564   9.500   2.212
   23    H    TYR   3           H        TYR   3  -6.777   6.463   0.781
   24    HA   TYR   3           HA       TYR   3  -6.713   5.017  -1.804
   25   1HB   TYR   3          1HB       TYR   3  -4.373   5.598   0.046
   26   2HB   TYR   3          2HB       TYR   3  -4.304   4.788  -1.511
   27    HD1  TYR   3           HD1      TYR   3  -5.475   6.242  -3.499
   28    HD2  TYR   3           HD2      TYR   3  -3.944   7.887   0.121
   29    HE1  TYR   3           HE1      TYR   3  -5.352   8.451  -4.550
   30    HE2  TYR   3           HE2      TYR   3  -3.825  10.092  -0.936
   31    HH   TYR   3           HH       TYR   3  -4.223  11.291  -2.739
   32    H    GLN   4           H        GLN   4  -6.515   2.853  -1.709
   33    HA   GLN   4           HA       GLN   4  -6.764   1.528   0.965
   34   1HB   GLN   4          1HB       GLN   4  -8.902   1.501  -0.155
   35   2HB   GLN   4          2HB       GLN   4  -8.186   1.054  -1.684
   36   1HG   GLN   4          2HG       GLN   4  -9.368  -0.857  -0.680
   37   2HG   GLN   4          1HG       GLN   4  -7.660  -1.211  -0.792
   38   1HE2  GLN   4          2HE2      GLN   4  -7.097  -2.375   1.035
   39   2HE2  GLN   4          1HE2      GLN   4  -7.605  -2.040   2.620
   40    H    CYS   5           H        CYS   5  -5.967  -0.627   1.051
   41    HA   CYS   5           HA       CYS   5  -3.496  -1.009  -0.546
   42   1HB   CYS   5          1HB       CYS   5  -3.407  -1.153   1.904
   43   2HB   CYS   5          2HB       CYS   5  -4.596  -2.457   1.895
   44    H    GLN   6           H        GLN   6  -3.176  -2.801  -1.817
   45    HA   GLN   6           HA       GLN   6  -5.611  -4.381  -2.553
   46   1HB   GLN   6          1HB       GLN   6  -4.407  -2.829  -4.230
   47   2HB   GLN   6          2HB       GLN   6  -3.074  -3.958  -4.179
   48   1HG   GLN   6          2HG       GLN   6  -4.671  -5.794  -4.950
   49   2HG   GLN   6          1HG       GLN   6  -5.921  -4.570  -5.064
   50   1HE2  GLN   6          1HE2      GLN   6  -3.042  -3.037  -5.984
   51   2HE2  GLN   6          2HE2      GLN   6  -3.160  -3.299  -7.658
   52    H    TYR   7           H        TYR   7  -3.898  -4.936  -0.299
   53    HA   TYR   7           HA       TYR   7  -3.012  -7.699  -1.020
   54   1HB   TYR   7          1HB       TYR   7  -1.504  -5.880   0.918
   55   2HB   TYR   7          2HB       TYR   7  -0.955  -7.417   0.269
   56    HD1  TYR   7           HD1      TYR   7  -0.988  -7.480  -2.473
   57    HD2  TYR   7           HD2      TYR   7  -0.647  -3.959  -0.107
   58    HE1  TYR   7           HE1      TYR   7  -0.032  -6.279  -4.381
   59    HE2  TYR   7           HE2      TYR   7   0.306  -2.772  -2.016
   60    HH   TYR   7           HH       TYR   7   0.975  -4.388  -5.064
   61    H    CYS   8           H        CYS   8  -3.457  -5.500   1.695
   62    HA   CYS   8           HA       CYS   8  -5.037  -7.603   3.138
   63   1HB   CYS   8          1HB       CYS   8  -4.183  -6.750   5.211
   64   2HB   CYS   8          2HB       CYS   8  -2.796  -6.992   4.153
   65    H    GLU   9           H        GLU   9  -5.910  -5.993   5.162
   66    HA   GLU   9           HA       GLU   9  -7.913  -4.271   3.764
   67   1HB   GLU   9          1HB       GLU   9  -8.001  -5.476   6.561
   68   2HB   GLU   9          2HB       GLU   9  -9.318  -4.663   5.731
   69   1HG   GLU   9          2HG       GLU   9  -9.320  -6.456   3.978
   70   2HG   GLU   9          1HG       GLU   9  -7.992  -7.254   4.804
   71    H    PHE  10           H        PHE  10  -5.753  -2.979   3.803
   72    HA   PHE  10           HA       PHE  10  -5.672  -1.193   6.215
   73   1HB   PHE  10          1HB       PHE  10  -3.466  -2.226   5.626
   74   2HB   PHE  10          2HB       PHE  10  -3.594  -1.593   3.997
   75    HD1  PHE  10           HD1      PHE  10  -3.241  -0.614   7.569
   76    HD2  PHE  10           HD2      PHE  10  -3.093   0.721   3.531
   77    HE1  PHE  10           HE1      PHE  10  -2.263   1.514   8.307
   78    HE2  PHE  10           HE2      PHE  10  -2.115   2.869   4.288
   79    HZ   PHE  10           HZ       PHE  10  -1.708   3.266   6.633
   80    H    ARG  11           H        ARG  11  -6.585   0.715   5.942
   81    HA   ARG  11           HA       ARG  11  -6.834   1.891   3.202
   82   1HB   ARG  11          1HB       ARG  11  -9.138   2.558   3.744
   83   2HB   ARG  11          2HB       ARG  11  -8.964   0.835   3.981
   84   1HG   ARG  11          2HG       ARG  11  -8.546   1.330   6.473
   85   2HG   ARG  11          1HG       ARG  11  -9.132   2.947   6.131
   86   1HD   ARG  11          2HD       ARG  11 -10.672   0.349   5.775
   87   2HD   ARG  11          1HD       ARG  11 -11.039   1.660   6.885
   88    HE   ARG  11           HE       ARG  11 -11.415   3.068   4.773
   89   1HH1  ARG  11          2HH1      ARG  11 -10.742   0.631   2.939
   90   2HH1  ARG  11          1HH1      ARG  11 -12.347   0.163   2.525
   91   1HH2  ARG  11          1HH2      ARG  11 -13.884   1.985   5.044
   92   2HH2  ARG  11          2HH2      ARG  11 -14.136   0.908   3.709
   93    H    SER  12           H        SER  12  -6.098   3.945   3.131
   94    HA   SER  12           HA       SER  12  -5.988   5.626   5.571
   95   1HB   SER  12          2HB       SER  12  -3.539   4.809   3.929
   96   2HB   SER  12          1HB       SER  12  -3.406   5.948   5.212
   97    HG   SER  12           HG       SER  12  -3.538   4.442   6.612
   98    H    ALA  13           H        ALA  13  -5.119   7.892   4.915
   99    HA   ALA  13           HA       ALA  13  -6.085   8.493   2.132
  100   1HB   ALA  13          1HB       ALA  13  -7.056  10.584   3.059
  101   2HB   ALA  13          2HB       ALA  13  -6.528  10.119   4.670
  102   3HB   ALA  13          3HB       ALA  13  -7.746   9.167   3.839
  103    H    ASP  14           H        ASP  14  -3.471   7.958   2.521
  104    HA   ASP  14           HA       ASP  14  -2.224  10.684   2.291
  105   1HB   ASP  14          1HB       ASP  14  -1.537   9.577   4.392
  106   2HB   ASP  14          2HB       ASP  14  -0.959   8.176   3.499
  107    H    SER  15           H        SER  15  -1.072   7.461   1.724
  108    HA   SER  15           HA       SER  15  -0.739   6.341  -0.391
  109   1HB   SER  15          2HB       SER  15  -1.471   8.333  -1.885
  110   2HB   SER  15          1HB       SER  15   0.111   9.081  -1.573
  111    HG   SER  15           HG       SER  15   0.935   7.706  -2.903
  112    H    SER  16           H        SER  16   1.119   9.173   0.664
  113    HA   SER  16           HA       SER  16   3.717   8.109   0.162
  114   1HB   SER  16          2HB       SER  16   3.323  10.546   0.718
  115   2HB   SER  16          1HB       SER  16   2.954  10.084   2.387
  116    HG   SER  16           HG       SER  16   5.341  10.275   1.170
  117    H    ASN  17           H        ASN  17   1.465   7.716   2.824
  118    HA   ASN  17           HA       ASN  17   3.439   5.955   4.226
  119   1HB   ASN  17          1HB       ASN  17   2.446   7.880   5.509
  120   2HB   ASN  17          2HB       ASN  17   0.852   7.153   5.323
  121   1HD2  ASN  17          2HD2      ASN  17   0.289   5.999   7.173
  122   2HD2  ASN  17          1HD2      ASN  17   1.375   5.137   8.155
  123    H    LEU  18           H        LEU  18   1.661   5.425   1.866
  124    HA   LEU  18           HA       LEU  18   0.166   3.034   2.840
  125   1HB   LEU  18          1HB       LEU  18  -1.178   4.729   1.434
  126   2HB   LEU  18          2HB       LEU  18   0.019   4.525   0.161
  127    HG   LEU  18           HG       LEU  18  -0.613   2.249  -0.275
  128   1HD1  LEU  18          1HD1      LEU  18  -2.397   1.091   1.027
  129   2HD1  LEU  18          2HD1      LEU  18  -2.508   2.469   2.106
  130   3HD1  LEU  18          3HD1      LEU  18  -1.053   1.478   2.081
  131   1HD2  LEU  18          1HD2      LEU  18  -2.997   2.557  -0.904
  132   2HD2  LEU  18          2HD2      LEU  18  -2.106   4.037  -1.215
  133   3HD2  LEU  18          3HD2      LEU  18  -3.124   3.907   0.215
  134    H    LYS  19           H        LYS  19   2.429   4.426   0.587
  135    HA   LYS  19           HA       LYS  19   3.320   1.895  -0.514
  136   1HB   LYS  19          1HB       LYS  19   4.483   4.735  -0.574
  137   2HB   LYS  19          2HB       LYS  19   5.191   3.394  -1.457
  138   1HG   LYS  19          2HG       LYS  19   3.081   3.070  -2.709
  139   2HG   LYS  19          1HG       LYS  19   2.322   4.374  -1.809
  140   1HD   LYS  19          2HD       LYS  19   3.738   6.040  -2.809
  141   2HD   LYS  19          1HD       LYS  19   4.867   4.839  -3.412
  142   1HE   LYS  19          2HE       LYS  19   3.458   5.661  -5.247
  143   2HE   LYS  19          1HE       LYS  19   3.109   3.968  -4.956
  144   1HZ   LYS  19          1HZ       LYS  19   1.350   6.080  -4.996
  145   2HZ   LYS  19          2HZ       LYS  19   1.395   5.596  -3.378
  146   3HZ   LYS  19          3HZ       LYS  19   1.019   4.466  -4.587
  147    H    THR  20           H        THR  20   3.955   3.745   2.292
  148    HA   THR  20           HA       THR  20   6.511   2.357   2.935
  149    HB   THR  20           HB       THR  20   4.845   4.521   4.394
  150    HG1  THR  20           HG1      THR  20   5.792   5.586   2.849
  151   1HG2  THR  20          1HG2      THR  20   7.737   3.636   4.851
  152   2HG2  THR  20          2HG2      THR  20   6.431   3.235   5.959
  153   3HG2  THR  20          3HG2      THR  20   6.885   4.905   5.711
  154    H    HIS  21           H        HIS  21   3.364   1.799   3.063
  155    HA   HIS  21           HA       HIS  21   3.413   0.073   5.505
  156   1HB   HIS  21          1HB       HIS  21   1.300   1.340   5.319
  157   2HB   HIS  21          2HB       HIS  21   1.234   1.175   3.582
  158    HD1  HIS  21           HD1      HIS  21   0.492  -0.787   6.652
  159    HD2  HIS  21           HD2      HIS  21   0.146  -1.171   2.596
  160    HE1  HIS  21           HE1      HIS  21  -0.911  -2.780   6.255
  161    H    ILE  22           H        ILE  22   2.372  -0.162   2.062
  162    HA   ILE  22           HA       ILE  22   2.618  -2.839   1.607
  163    HB   ILE  22           HB       ILE  22   3.554  -0.547  -0.213
  164   1HG1  ILE  22          2HG1      ILE  22   0.931  -2.103  -0.147
  165   2HG1  ILE  22          1HG1      ILE  22   1.129  -0.577   0.658
  166   1HG2  ILE  22          1HG2      ILE  22   4.473  -2.760  -0.970
  167   2HG2  ILE  22          2HG2      ILE  22   3.249  -2.191  -2.079
  168   3HG2  ILE  22          3HG2      ILE  22   2.859  -3.436  -0.903
  169   1HD1  ILE  22          1HD       ILE  22   1.477  -0.975  -2.340
  170   2HD1  ILE  22          2HD       ILE  22   1.669   0.546  -1.480
  171   3HD1  ILE  22          3HD       ILE  22   0.099  -0.233  -1.546
  172    H    LYS  23           H        LYS  23   5.260  -0.506   1.483
  173    HA   LYS  23           HA       LYS  23   7.293  -2.669   1.714
  174   1HB   LYS  23          1HB       LYS  23   7.730  -1.311  -0.124
  175   2HB   LYS  23          2HB       LYS  23   7.401   0.195   0.700
  176   1HG   LYS  23          2HG       LYS  23   9.432  -0.182   2.120
  177   2HG   LYS  23          1HG       LYS  23   9.730  -1.698   1.289
  178   1HD   LYS  23          2HD       LYS  23  10.093  -0.553  -0.826
  179   2HD   LYS  23          1HD       LYS  23   9.553   0.980  -0.171
  180   1HE   LYS  23          2HE       LYS  23  12.011  -0.523   0.829
  181   2HE   LYS  23          1HE       LYS  23  12.057   0.808  -0.322
  182   1HZ   LYS  23          1HZ       LYS  23  11.956   0.928   2.459
  183   2HZ   LYS  23          2HZ       LYS  23  10.519   1.607   1.860
  184   3HZ   LYS  23          3HZ       LYS  23  12.021   2.208   1.341
  185    H    THR  24           H        THR  24   7.448  -1.356   5.079
  186    HA   THR  24           HA       THR  24   7.421  -3.716   3.229
  187    HB   THR  24           HB       THR  24   9.555  -3.206   3.924
  188    HG1  THR  24           HG1      THR  24   8.312  -5.496   4.367
  189   1HG2  THR  24          1HG2      THR  24  10.294  -3.439   6.337
  190   2HG2  THR  24          2HG2      THR  24   8.635  -3.686   6.833
  191   3HG2  THR  24          3HG2      THR  24   9.134  -2.131   6.194
  192    H    LYS  25           H        LYS  25   5.159  -3.555   3.786
  193    HA   LYS  25           HA       LYS  25   4.397  -5.284   6.125
  194   1HB   LYS  25          1HB       LYS  25   2.707  -3.567   4.248
  195   2HB   LYS  25          2HB       LYS  25   1.980  -4.827   5.223
  196   1HG   LYS  25          2HG       LYS  25   3.767  -3.105   6.815
  197   2HG   LYS  25          1HG       LYS  25   2.454  -2.219   6.081
  198   1HD   LYS  25          2HD       LYS  25   1.748  -3.052   8.290
  199   2HD   LYS  25          1HD       LYS  25   0.812  -3.846   7.047
  200   1HE   LYS  25          2HE       LYS  25   2.202  -5.870   7.214
  201   2HE   LYS  25          1HE       LYS  25   3.228  -5.092   8.408
  202   1HZ   LYS  25          1HZ       LYS  25   0.846  -6.474   8.807
  203   2HZ   LYS  25          2HZ       LYS  25   0.559  -4.851   9.215
  204   3HZ   LYS  25          3HZ       LYS  25   1.819  -5.701   9.966
  205    H    HIS  26           H        HIS  26   4.410  -5.154   2.633
  206    HA   HIS  26           HA       HIS  26   3.706  -8.047   2.490
  207   1HB   HIS  26          1HB       HIS  26   2.994  -5.914   0.425
  208   2HB   HIS  26          2HB       HIS  26   2.435  -7.578   0.464
  209    HD1  HIS  26           HD1      HIS  26   1.216  -8.007   3.019
  210    HD2  HIS  26           HD2      HIS  26   1.033  -4.243   1.417
  211    HE1  HIS  26           HE1      HIS  26  -0.659  -6.864   4.139
  212    H    SER  27           H        SER  27   6.255  -7.165   2.797
  213    HA   SER  27           HA       SER  27   8.217  -6.537   1.354
  214   1HB   SER  27          2HB       SER  27   9.407  -8.778   1.649
  215   2HB   SER  27          1HB       SER  27   8.573  -8.214   3.101
  216    HG   SER  27           HG       SER  27   6.942  -9.584   1.393
  217    H    LYS  28           H        LYS  28   8.043  -5.960  -0.765
  218    HA   LYS  28           HA       LYS  28   7.561  -8.072  -2.815
  219   1HB   LYS  28          1HB       LYS  28   7.622  -5.037  -2.948
  220   2HB   LYS  28          2HB       LYS  28   7.485  -6.047  -4.377
  221   1HG   LYS  28          2HG       LYS  28   5.457  -7.144  -3.325
  222   2HG   LYS  28          1HG       LYS  28   5.560  -5.965  -2.026
  223   1HD   LYS  28          2HD       LYS  28   5.200  -4.113  -3.558
  224   2HD   LYS  28          1HD       LYS  28   5.360  -5.164  -4.954
  225   1HE   LYS  28          2HE       LYS  28   2.991  -4.707  -4.510
  226   2HE   LYS  28          1HE       LYS  28   3.315  -6.413  -4.236
  227   1HZ   LYS  28          1HZ       LYS  28   2.583  -6.198  -2.190
  228   2HZ   LYS  28          2HZ       LYS  28   2.255  -4.560  -2.496
  229   3HZ   LYS  28          3HZ       LYS  28   3.761  -5.017  -1.845
  230    H    GLU  29           H        GLU  29   9.694  -8.734  -1.832
  231    HA   GLU  29           HA       GLU  29  11.930  -7.810  -3.588
  232   1HB   GLU  29          1HB       GLU  29  13.451  -8.254  -1.656
  233   2HB   GLU  29          2HB       GLU  29  12.268  -7.021  -1.270
  234   1HG   GLU  29          2HG       GLU  29  10.815  -8.872  -0.214
  235   2HG   GLU  29          1HG       GLU  29  12.171  -9.955  -0.442
  236    H    LYS  30           H        LYS  30  13.535  -9.489  -3.981
  237    HA   LYS  30           HA       LYS  30  12.449 -12.276  -3.813
  238   1HB   LYS  30          1HB       LYS  30  13.445 -12.690  -6.070
  239   2HB   LYS  30          2HB       LYS  30  12.164 -11.495  -6.096
  240   1HG   LYS  30          2HG       LYS  30  13.740  -9.661  -6.271
  241   2HG   LYS  30          1HG       LYS  30  15.103 -10.706  -5.924
  242   1HD   LYS  30          2HD       LYS  30  14.952 -10.199  -8.355
  243   2HD   LYS  30          1HD       LYS  30  14.799 -11.912  -8.034
  244   1HE   LYS  30          2HE       LYS  30  13.141 -11.150  -9.722
  245   2HE   LYS  30          1HE       LYS  30  12.327 -11.765  -8.298
  246   1HZ   LYS  30          1HZ       LYS  30  12.089  -9.262  -9.471
  247   2HZ   LYS  30          2HZ       LYS  30  12.822  -9.022  -7.959
  248   3HZ   LYS  30          3HZ       LYS  30  11.332  -9.830  -8.060
  Start of MODEL   23
    1   1H    LYS   1          1H        LYS   1 -12.608   8.987  -1.400
    2   2H    LYS   1          2H        LYS   1 -10.952   8.801  -1.724
    3   3H    LYS   1          3H        LYS   1 -11.756  10.220  -2.198
    4    HA   LYS   1           HA       LYS   1 -11.249  11.164  -0.295
    5   1HB   LYS   1          2HB       LYS   1 -13.427  10.249   0.497
    6   2HB   LYS   1          1HB       LYS   1 -12.666   8.736   0.912
    7   1HG   LYS   1          2HG       LYS   1 -13.001  10.039   2.946
    8   2HG   LYS   1          1HG       LYS   1 -11.282   9.929   2.643
    9   1HD   LYS   1          2HD       LYS   1 -11.306  12.224   1.644
   10   2HD   LYS   1          1HD       LYS   1 -13.039  12.319   1.918
   11   1HE   LYS   1          2HE       LYS   1 -12.667  12.082   4.368
   12   2HE   LYS   1          1HE       LYS   1 -10.936  11.955   4.100
   13   1HZ   LYS   1          1HZ       LYS   1 -10.803  14.126   4.119
   14   2HZ   LYS   1          2HZ       LYS   1 -12.474  14.245   4.389
   15   3HZ   LYS   1          3HZ       LYS   1 -11.867  14.247   2.802
   16    H    THR   2           H        THR   2 -10.854   7.703   0.260
   17    HA   THR   2           HA       THR   2  -8.023   8.139   1.132
   18    HB   THR   2           HB       THR   2  -9.260   7.399   3.057
   19    HG1  THR   2           HG1      THR   2  -8.496   4.885   2.527
   20   1HG2  THR   2          1HG2      THR   2 -10.676   5.324   3.051
   21   2HG2  THR   2          2HG2      THR   2 -10.335   5.077   1.347
   22   3HG2  THR   2          3HG2      THR   2 -11.320   6.438   1.859
   23    H    TYR   3           H        TYR   3  -6.799   6.084   0.977
   24    HA   TYR   3           HA       TYR   3  -7.139   4.789  -1.692
   25   1HB   TYR   3          1HB       TYR   3  -4.575   5.129  -0.075
   26   2HB   TYR   3          2HB       TYR   3  -4.702   4.634  -1.755
   27    HD1  TYR   3           HD1      TYR   3  -6.223   6.496  -3.180
   28    HD2  TYR   3           HD2      TYR   3  -3.814   7.274   0.245
   29    HE1  TYR   3           HE1      TYR   3  -6.041   8.847  -3.840
   30    HE2  TYR   3           HE2      TYR   3  -3.639   9.624  -0.411
   31    HH   TYR   3           HH       TYR   3  -4.072  11.131  -1.974
   32    H    GLN   4           H        GLN   4  -6.909   2.585  -1.716
   33    HA   GLN   4           HA       GLN   4  -6.857   1.217   0.943
   34   1HB   GLN   4          1HB       GLN   4  -9.064   1.170  -0.098
   35   2HB   GLN   4          2HB       GLN   4  -8.396   0.574  -1.598
   36   1HG   GLN   4          2HG       GLN   4  -9.486  -1.243  -0.286
   37   2HG   GLN   4          1HG       GLN   4  -7.783  -1.566  -0.532
   38   1HE2  GLN   4          2HE2      GLN   4  -6.917  -2.442   1.330
   39   2HE2  GLN   4          1HE2      GLN   4  -7.304  -1.955   2.909
   40    H    CYS   5           H        CYS   5  -5.585  -0.452   1.226
   41    HA   CYS   5           HA       CYS   5  -3.327  -0.926  -0.495
   42   1HB   CYS   5          1HB       CYS   5  -3.247  -1.129   1.963
   43   2HB   CYS   5          2HB       CYS   5  -4.420  -2.448   1.904
   44    H    GLN   6           H        GLN   6  -2.856  -2.819  -1.687
   45    HA   GLN   6           HA       GLN   6  -5.268  -4.382  -2.550
   46   1HB   GLN   6          1HB       GLN   6  -4.064  -4.721  -4.685
   47   2HB   GLN   6          2HB       GLN   6  -4.205  -3.012  -4.325
   48   1HG   GLN   6          2HG       GLN   6  -1.900  -2.839  -3.643
   49   2HG   GLN   6          1HG       GLN   6  -1.711  -4.579  -3.539
   50   1HE2  GLN   6          2HE2      GLN   6  -0.611  -5.428  -5.256
   51   2HE2  GLN   6          1HE2      GLN   6  -0.607  -4.808  -6.835
   52    H    TYR   7           H        TYR   7  -3.529  -4.884  -0.261
   53    HA   TYR   7           HA       TYR   7  -2.667  -7.673  -0.921
   54   1HB   TYR   7          1HB       TYR   7  -1.322  -5.710   0.984
   55   2HB   TYR   7          2HB       TYR   7  -0.765  -7.342   0.653
   56    HD1  TYR   7           HD1      TYR   7  -0.411  -7.864  -1.961
   57    HD2  TYR   7           HD2      TYR   7  -0.367  -3.957  -0.273
   58    HE1  TYR   7           HE1      TYR   7   0.833  -7.035  -3.900
   59    HE2  TYR   7           HE2      TYR   7   0.873  -3.139  -2.215
   60    HH   TYR   7           HH       TYR   7   1.645  -5.245  -4.950
   61    H    CYS   8           H        CYS   8  -3.377  -5.427   1.695
   62    HA   CYS   8           HA       CYS   8  -5.070  -7.502   3.043
   63   1HB   CYS   8          1HB       CYS   8  -4.381  -6.648   5.176
   64   2HB   CYS   8          2HB       CYS   8  -2.898  -6.876   4.261
   65    H    GLU   9           H        GLU   9  -6.092  -5.814   4.939
   66    HA   GLU   9           HA       GLU   9  -7.815  -3.979   3.318
   67   1HB   GLU   9          1HB       GLU   9  -8.346  -5.463   5.930
   68   2HB   GLU   9          2HB       GLU   9  -9.489  -4.358   5.179
   69   1HG   GLU   9          2HG       GLU   9  -9.512  -5.787   3.128
   70   2HG   GLU   9          1HG       GLU   9  -8.392  -6.907   3.884
   71    H    PHE  10           H        PHE  10  -5.689  -2.815   3.691
   72    HA   PHE  10           HA       PHE  10  -5.687  -1.156   6.181
   73   1HB   PHE  10          1HB       PHE  10  -3.490  -2.195   5.725
   74   2HB   PHE  10          2HB       PHE  10  -3.552  -1.686   4.045
   75    HD1  PHE  10           HD1      PHE  10  -2.826  -0.601   7.482
   76    HD2  PHE  10           HD2      PHE  10  -3.216   0.685   3.440
   77    HE1  PHE  10           HE1      PHE  10  -1.681   1.499   8.034
   78    HE2  PHE  10           HE2      PHE  10  -2.072   2.811   4.017
   79    HZ   PHE  10           HZ       PHE  10  -1.317   3.218   6.273
   80    H    ARG  11           H        ARG  11  -6.398   0.883   5.982
   81    HA   ARG  11           HA       ARG  11  -6.561   2.108   3.262
   82   1HB   ARG  11          1HB       ARG  11  -8.746   3.128   3.997
   83   2HB   ARG  11          2HB       ARG  11  -8.810   1.389   3.846
   84   1HG   ARG  11          2HG       ARG  11  -8.476   1.165   6.327
   85   2HG   ARG  11          1HG       ARG  11  -8.498   2.914   6.469
   86   1HD   ARG  11          2HD       ARG  11 -10.780   1.244   5.349
   87   2HD   ARG  11          1HD       ARG  11 -10.714   1.924   6.971
   88    HE   ARG  11           HE       ARG  11 -10.741   3.592   4.475
   89   1HH1  ARG  11          2HH2      ARG  11 -12.892   2.746   6.731
   90   2HH1  ARG  11          1HH2      ARG  11 -13.148   4.312   7.423
   91   1HH2  ARG  11          1HH1      ARG  11 -10.395   5.710   5.766
   92   2HH2  ARG  11          2HH1      ARG  11 -11.696   6.035   6.864
   93    H    SER  12           H        SER  12  -5.787   4.066   3.125
   94    HA   SER  12           HA       SER  12  -5.460   5.807   5.520
   95   1HB   SER  12          2HB       SER  12  -3.161   4.977   3.683
   96   2HB   SER  12          1HB       SER  12  -2.917   6.045   5.001
   97    HG   SER  12           HG       SER  12  -3.034   4.533   6.376
   98    H    ALA  13           H        ALA  13  -5.156   8.029   4.954
   99    HA   ALA  13           HA       ALA  13  -5.927   8.616   2.112
  100   1HB   ALA  13          1HB       ALA  13  -7.160  10.574   3.053
  101   2HB   ALA  13          2HB       ALA  13  -6.665  10.092   4.671
  102   3HB   ALA  13          3HB       ALA  13  -7.737   9.061   3.734
  103    H    ASP  14           H        ASP  14  -3.282   8.320   2.716
  104    HA   ASP  14           HA       ASP  14  -2.292  11.171   2.653
  105   1HB   ASP  14          1HB       ASP  14  -1.584   9.762   4.680
  106   2HB   ASP  14          2HB       ASP  14  -0.696   8.745   3.559
  107    H    SER  15           H        SER  15  -1.322   7.956   1.798
  108    HA   SER  15           HA       SER  15  -1.067   7.093  -0.458
  109   1HB   SER  15          2HB       SER  15  -1.273   9.398  -1.655
  110   2HB   SER  15          1HB       SER  15   0.371   9.769  -1.105
  111    HG   SER  15           HG       SER  15   0.276   7.292  -2.147
  112    H    SER  16           H        SER  16   1.273   9.330   0.985
  113    HA   SER  16           HA       SER  16   3.624   7.801   0.493
  114   1HB   SER  16          2HB       SER  16   3.196   9.492   3.021
  115   2HB   SER  16          1HB       SER  16   4.698   9.221   2.129
  116    HG   SER  16           HG       SER  16   2.508  10.767   1.562
  117    H    ASN  17           H        ASN  17   1.501   8.020   3.267
  118    HA   ASN  17           HA       ASN  17   2.586   6.084   4.970
  119   1HB   ASN  17          1HB       ASN  17  -0.349   6.835   4.525
  120   2HB   ASN  17          2HB       ASN  17   0.247   5.936   5.910
  121   1HD2  ASN  17          1HD2      ASN  17  -0.164   7.545   7.514
  122   2HD2  ASN  17          2HD2      ASN  17   0.617   9.051   7.531
  123    H    LEU  18           H        LEU  18   0.197   5.646   2.379
  124    HA   LEU  18           HA       LEU  18  -0.150   2.847   2.764
  125   1HB   LEU  18          1HB       LEU  18  -1.754   4.284   1.519
  126   2HB   LEU  18          2HB       LEU  18  -0.540   4.571   0.274
  127    HG   LEU  18           HG       LEU  18  -0.604   2.253  -0.453
  128   1HD1  LEU  18          1HD1      LEU  18  -2.147   0.608   0.573
  129   2HD1  LEU  18          2HD1      LEU  18  -2.634   1.794   1.772
  130   3HD1  LEU  18          3HD1      LEU  18  -0.999   1.142   1.781
  131   1HD2  LEU  18          1HD2      LEU  18  -3.418   3.328   0.016
  132   2HD2  LEU  18          2HD2      LEU  18  -2.979   2.143  -1.203
  133   3HD2  LEU  18          3HD2      LEU  18  -2.369   3.786  -1.322
  134    H    LYS  19           H        LYS  19   1.883   4.513   0.334
  135    HA   LYS  19           HA       LYS  19   2.952   2.116  -0.786
  136   1HB   LYS  19          1HB       LYS  19   3.179   4.824  -1.337
  137   2HB   LYS  19          2HB       LYS  19   4.728   4.571  -0.569
  138   1HG   LYS  19          2HG       LYS  19   3.702   2.910  -2.903
  139   2HG   LYS  19          1HG       LYS  19   4.708   4.328  -3.105
  140   1HD   LYS  19          2HD       LYS  19   6.496   3.229  -1.735
  141   2HD   LYS  19          1HD       LYS  19   5.494   1.788  -1.601
  142   1HE   LYS  19          2HE       LYS  19   7.135   1.504  -3.412
  143   2HE   LYS  19          1HE       LYS  19   5.519   1.541  -4.093
  144   1HZ   LYS  19          1HZ       LYS  19   6.100   3.243  -5.330
  145   2HZ   LYS  19          2HZ       LYS  19   7.677   3.168  -4.707
  146   3HZ   LYS  19          3HZ       LYS  19   6.516   4.160  -3.963
  147    H    THR  20           H        THR  20   4.199   4.124   1.871
  148    HA   THR  20           HA       THR  20   6.465   2.526   2.433
  149    HB   THR  20           HB       THR  20   4.697   4.190   4.367
  150    HG1  THR  20           HG1      THR  20   5.361   5.373   2.709
  151   1HG2  THR  20          1HG2      THR  20   6.816   4.489   5.634
  152   2HG2  THR  20          2HG2      THR  20   7.709   3.550   4.454
  153   3HG2  THR  20          3HG2      THR  20   6.549   2.759   5.507
  154    H    HIS  21           H        HIS  21   3.118   2.344   3.645
  155    HA   HIS  21           HA       HIS  21   3.355   0.199   5.411
  156   1HB   HIS  21          1HB       HIS  21   1.237   1.343   5.274
  157   2HB   HIS  21          2HB       HIS  21   1.083   1.110   3.554
  158    HD1  HIS  21           HD1      HIS  21   0.830  -0.902   6.698
  159    HD2  HIS  21           HD2      HIS  21  -0.116  -1.195   2.737
  160    HE1  HIS  21           HE1      HIS  21  -0.542  -2.947   6.460
  161    H    ILE  22           H        ILE  22   2.558   0.023   1.928
  162    HA   ILE  22           HA       ILE  22   2.582  -2.719   1.538
  163    HB   ILE  22           HB       ILE  22   3.533  -0.477  -0.297
  164   1HG1  ILE  22          2HG1      ILE  22   0.904  -2.038  -0.173
  165   2HG1  ILE  22          1HG1      ILE  22   1.132  -0.483   0.573
  166   1HG2  ILE  22          1HG2      ILE  22   2.909  -3.387  -1.015
  167   2HG2  ILE  22          2HG2      ILE  22   4.486  -2.630  -1.105
  168   3HG2  ILE  22          3HG2      ILE  22   3.214  -2.109  -2.180
  169   1HD1  ILE  22          1HD       ILE  22   1.405  -1.017  -2.412
  170   2HD1  ILE  22          2HD       ILE  22   1.643   0.533  -1.629
  171   3HD1  ILE  22          3HD       ILE  22   0.058  -0.227  -1.625
  172    H    LYS  23           H        LYS  23   5.475  -0.624   1.433
  173    HA   LYS  23           HA       LYS  23   7.260  -2.829   0.874
  174   1HB   LYS  23          1HB       LYS  23   7.704  -0.009   1.857
  175   2HB   LYS  23          2HB       LYS  23   9.045  -1.134   1.706
  176   1HG   LYS  23          2HG       LYS  23   8.382  -1.553  -0.685
  177   2HG   LYS  23          1HG       LYS  23   7.129  -0.343  -0.543
  178   1HD   LYS  23          2HD       LYS  23  10.092   0.214  -0.068
  179   2HD   LYS  23          1HD       LYS  23   9.292   0.476  -1.604
  180   1HE   LYS  23          2HE       LYS  23   7.703   2.065  -0.430
  181   2HE   LYS  23          1HE       LYS  23   8.644   1.870   1.037
  182   1HZ   LYS  23          1HZ       LYS  23   9.141   3.561  -1.115
  183   2HZ   LYS  23          2HZ       LYS  23  10.401   2.431  -1.051
  184   3HZ   LYS  23          3HZ       LYS  23  10.039   3.374   0.313
  185    H    THR  24           H        THR  24   6.478  -1.207   3.894
  186    HA   THR  24           HA       THR  24   8.274  -2.676   5.557
  187    HB   THR  24           HB       THR  24   5.715  -1.183   6.360
  188    HG1  THR  24           HG1      THR  24   6.967   0.109   5.179
  189   1HG2  THR  24          1HG2      THR  24   6.961  -2.515   8.217
  190   2HG2  THR  24          2HG2      THR  24   6.991  -0.775   8.455
  191   3HG2  THR  24          3HG2      THR  24   8.400  -1.601   7.805
  192    H    LYS  25           H        LYS  25   4.904  -3.181   4.766
  193    HA   LYS  25           HA       LYS  25   4.748  -5.602   6.427
  194   1HB   LYS  25          1HB       LYS  25   2.666  -3.840   5.131
  195   2HB   LYS  25          2HB       LYS  25   2.220  -5.322   5.946
  196   1HG   LYS  25          2HG       LYS  25   3.607  -2.855   7.106
  197   2HG   LYS  25          1HG       LYS  25   1.958  -3.342   7.393
  198   1HD   LYS  25          2HD       LYS  25   4.416  -4.902   8.342
  199   2HD   LYS  25          1HD       LYS  25   3.438  -3.850   9.325
  200   1HE   LYS  25          2HE       LYS  25   2.680  -6.091   9.772
  201   2HE   LYS  25          1HE       LYS  25   1.434  -5.339   8.796
  202   1HZ   LYS  25          1HZ       LYS  25   2.849  -7.667   8.287
  203   2HZ   LYS  25          2HZ       LYS  25   3.295  -6.553   7.092
  204   3HZ   LYS  25          3HZ       LYS  25   1.657  -6.933   7.320
  205    H    HIS  26           H        HIS  26   4.262  -4.693   3.049
  206    HA   HIS  26           HA       HIS  26   3.796  -7.591   2.454
  207   1HB   HIS  26          1HB       HIS  26   3.005  -5.174   0.827
  208   2HB   HIS  26          2HB       HIS  26   2.622  -6.842   0.443
  209    HD1  HIS  26           HD1      HIS  26   1.327  -7.967   2.764
  210    HD2  HIS  26           HD2      HIS  26   0.935  -3.976   2.025
  211    HE1  HIS  26           HE1      HIS  26  -0.711  -7.231   3.961
  212    H    SER  27           H        SER  27   6.589  -6.324   2.493
  213    HA   SER  27           HA       SER  27   7.290  -7.254  -0.281
  214   1HB   SER  27          2HB       SER  27   8.458  -4.827   1.153
  215   2HB   SER  27          1HB       SER  27   9.046  -5.481  -0.376
  216    HG   SER  27           HG       SER  27   6.357  -5.296  -0.430
  217    H    LYS  28           H        LYS  28   9.485  -6.129   2.147
  218    HA   LYS  28           HA       LYS  28  10.445  -8.957   2.532
  219   1HB   LYS  28          1HB       LYS  28  12.250  -6.500   2.400
  220   2HB   LYS  28          2HB       LYS  28  12.755  -8.172   2.479
  221   1HG   LYS  28          2HG       LYS  28  11.248  -6.916   0.144
  222   2HG   LYS  28          1HG       LYS  28  12.965  -7.241   0.179
  223   1HD   LYS  28          2HD       LYS  28  12.562  -9.666   0.332
  224   2HD   LYS  28          1HD       LYS  28  10.832  -9.421   0.408
  225   1HE   LYS  28          2HE       LYS  28  10.951  -8.278  -1.855
  226   2HE   LYS  28          1HE       LYS  28  12.651  -8.721  -1.928
  227   1HZ   LYS  28          1HZ       LYS  28  11.175 -11.001  -1.256
  228   2HZ   LYS  28          2HZ       LYS  28  12.070 -10.694  -2.667
  229   3HZ   LYS  28          3HZ       LYS  28  10.429 -10.261  -2.589
  230    H    GLU  29           H        GLU  29  11.170  -9.510   4.511
  231    HA   GLU  29           HA       GLU  29  10.923  -7.518   6.723
  232   1HB   GLU  29          1HB       GLU  29   9.699 -10.313   6.569
  233   2HB   GLU  29          2HB       GLU  29   9.786  -9.380   8.056
  234   1HG   GLU  29          2HG       GLU  29   8.510  -7.514   6.924
  235   2HG   GLU  29          1HG       GLU  29   8.390  -8.497   5.473
  236    H    LYS  30           H        LYS  30  13.272  -7.766   5.938
  237    HA   LYS  30           HA       LYS  30  14.687  -9.747   7.690
  238   1HB   LYS  30          1HB       LYS  30  15.438  -8.598   4.974
  239   2HB   LYS  30          2HB       LYS  30  16.650  -9.289   6.039
  240   1HG   LYS  30          2HG       LYS  30  15.392 -11.438   6.081
  241   2HG   LYS  30          1HG       LYS  30  14.187 -10.755   5.003
  242   1HD   LYS  30          2HD       LYS  30  15.806 -10.489   3.212
  243   2HD   LYS  30          1HD       LYS  30  17.145 -10.869   4.276
  244   1HE   LYS  30          2HE       LYS  30  14.920 -12.836   3.592
  245   2HE   LYS  30          1HE       LYS  30  16.487 -12.799   2.799
  246   1HZ   LYS  30          1HZ       LYS  30  15.797 -14.021   5.216
  247   2HZ   LYS  30          2HZ       LYS  30  16.931 -12.802   5.552
  248   3HZ   LYS  30          3HZ       LYS  30  17.298 -14.013   4.420
  Start of MODEL   24
    1   1H    LYS   1          1H        LYS   1  -9.213  11.096  -2.464
    2   2H    LYS   1          2H        LYS   1  -7.507  11.013  -2.343
    3   3H    LYS   1          3H        LYS   1  -8.352  12.258  -1.580
    4    HA   LYS   1           HA       LYS   1  -7.713   9.674  -0.655
    5   1HB   LYS   1          2HB       LYS   1  -9.184  12.002   0.691
    6   2HB   LYS   1          1HB       LYS   1  -8.307  10.722   1.515
    7   1HG   LYS   1          2HG       LYS   1  -6.169  11.477   0.562
    8   2HG   LYS   1          1HG       LYS   1  -6.972  12.665  -0.445
    9   1HD   LYS   1          2HD       LYS   1  -7.855  13.755   1.688
   10   2HD   LYS   1          1HD       LYS   1  -6.792  12.691   2.589
   11   1HE   LYS   1          2HE       LYS   1  -5.808  14.574   0.405
   12   2HE   LYS   1          1HE       LYS   1  -5.805  14.973   2.113
   13   1HZ   LYS   1          1HZ       LYS   1  -4.555  12.495   1.842
   14   2HZ   LYS   1          2HZ       LYS   1  -3.895  13.978   2.299
   15   3HZ   LYS   1          3HZ       LYS   1  -3.910  13.528   0.663
   16    H    THR   2           H        THR   2 -10.946   8.153  -0.082
   17    HA   THR   2           HA       THR   2  -8.169   8.446   0.932
   18    HB   THR   2           HB       THR   2  -9.784   7.803   2.618
   19    HG1  THR   2           HG1      THR   2  -8.333   6.539   3.291
   20   1HG2  THR   2          1HG2      THR   2 -10.362   5.334   0.865
   21   2HG2  THR   2          2HG2      THR   2 -11.520   6.642   1.064
   22   3HG2  THR   2          3HG2      THR   2 -11.068   5.651   2.437
   23    H    TYR   3           H        TYR   3  -7.050   6.317   1.004
   24    HA   TYR   3           HA       TYR   3  -7.148   4.914  -1.628
   25   1HB   TYR   3          1HB       TYR   3  -4.709   5.582   0.046
   26   2HB   TYR   3          2HB       TYR   3  -4.688   4.914  -1.578
   27    HD1  TYR   3           HD1      TYR   3  -6.723   6.637  -2.960
   28    HD2  TYR   3           HD2      TYR   3  -3.760   7.699  -0.092
   29    HE1  TYR   3           HE1      TYR   3  -6.744   8.932  -3.782
   30    HE2  TYR   3           HE2      TYR   3  -3.768   9.987  -0.913
   31    HH   TYR   3           HH       TYR   3  -5.731  11.464  -2.227
   32    H    GLN   4           H        GLN   4  -6.743   2.728  -1.588
   33    HA   GLN   4           HA       GLN   4  -6.597   1.464   1.126
   34   1HB   GLN   4          1HB       GLN   4  -8.859   1.511  -0.277
   35   2HB   GLN   4          2HB       GLN   4  -8.097   0.235  -1.197
   36   1HG   GLN   4          2HG       GLN   4  -8.228   0.019   1.827
   37   2HG   GLN   4          1HG       GLN   4  -9.641  -0.352   0.867
   38   1HE2  GLN   4          1HE2      GLN   4  -6.914  -1.742   2.227
   39   2HE2  GLN   4          2HE2      GLN   4  -6.857  -3.163   1.314
   40    H    CYS   5           H        CYS   5  -5.702  -0.564   1.199
   41    HA   CYS   5           HA       CYS   5  -3.328  -0.912  -0.476
   42   1HB   CYS   5          1HB       CYS   5  -3.196  -1.218   1.920
   43   2HB   CYS   5          2HB       CYS   5  -4.463  -2.445   1.879
   44    H    GLN   6           H        GLN   6  -2.793  -3.057  -1.448
   45    HA   GLN   6           HA       GLN   6  -5.240  -4.497  -2.401
   46   1HB   GLN   6          1HB       GLN   6  -4.054  -2.877  -4.066
   47   2HB   GLN   6          2HB       GLN   6  -2.720  -4.005  -4.053
   48   1HG   GLN   6          2HG       GLN   6  -4.119  -4.492  -5.993
   49   2HG   GLN   6          1HG       GLN   6  -4.297  -5.825  -4.873
   50   1HE2  GLN   6          2HE2      GLN   6  -6.055  -3.620  -6.748
   51   2HE2  GLN   6          1HE2      GLN   6  -7.563  -3.812  -5.992
   52    H    TYR   7           H        TYR   7  -3.819  -5.163  -0.198
   53    HA   TYR   7           HA       TYR   7  -2.819  -7.880  -0.883
   54   1HB   TYR   7          1HB       TYR   7  -1.447  -5.934   1.035
   55   2HB   TYR   7          2HB       TYR   7  -0.929  -7.587   0.735
   56    HD1  TYR   7           HD1      TYR   7  -0.309  -8.197  -1.732
   57    HD2  TYR   7           HD2      TYR   7  -0.679  -4.186  -0.360
   58    HE1  TYR   7           HE1      TYR   7   0.980  -7.409  -3.662
   59    HE2  TYR   7           HE2      TYR   7   0.596  -3.409  -2.283
   60    HH   TYR   7           HH       TYR   7   1.863  -4.000  -4.012
   61    H    CYS   8           H        CYS   8  -3.504  -5.608   1.686
   62    HA   CYS   8           HA       CYS   8  -5.177  -7.637   3.116
   63   1HB   CYS   8          1HB       CYS   8  -4.471  -6.674   5.210
   64   2HB   CYS   8          2HB       CYS   8  -3.015  -6.966   4.274
   65    H    GLU   9           H        GLU   9  -6.222  -5.929   4.936
   66    HA   GLU   9           HA       GLU   9  -7.990  -4.160   3.280
   67   1HB   GLU   9          1HB       GLU   9  -9.687  -4.512   5.104
   68   2HB   GLU   9          2HB       GLU   9  -9.256  -5.987   4.282
   69   1HG   GLU   9          2HG       GLU   9  -8.074  -5.132   6.974
   70   2HG   GLU   9          1HG       GLU   9  -9.447  -6.200   6.812
   71    H    PHE  10           H        PHE  10  -5.883  -2.946   3.685
   72    HA   PHE  10           HA       PHE  10  -6.002  -1.247   6.143
   73   1HB   PHE  10          1HB       PHE  10  -3.797  -2.264   5.749
   74   2HB   PHE  10          2HB       PHE  10  -3.796  -1.734   4.073
   75    HD1  PHE  10           HD1      PHE  10  -3.448  -0.641   7.580
   76    HD2  PHE  10           HD2      PHE  10  -3.239   0.596   3.505
   77    HE1  PHE  10           HE1      PHE  10  -2.339   1.436   8.262
   78    HE2  PHE  10           HE2      PHE  10  -2.135   2.695   4.218
   79    HZ   PHE  10           HZ       PHE  10  -1.692   3.114   6.556
   80    H    ARG  11           H        ARG  11  -6.840   0.731   5.893
   81    HA   ARG  11           HA       ARG  11  -6.846   1.989   3.187
   82   1HB   ARG  11          1HB       ARG  11  -9.090   3.061   3.966
   83   2HB   ARG  11          2HB       ARG  11  -9.145   1.412   3.408
   84   1HG   ARG  11          2HG       ARG  11  -8.910   2.054   6.374
   85   2HG   ARG  11          1HG       ARG  11 -10.466   2.005   5.566
   86   1HD   ARG  11          2HD       ARG  11  -9.941  -0.339   4.791
   87   2HD   ARG  11          1HD       ARG  11  -8.491  -0.327   5.784
   88    HE   ARG  11           HE       ARG  11 -10.074   0.147   7.737
   89   1HH1  ARG  11          2HH1      ARG  11  -9.929  -2.669   6.744
   90   2HH1  ARG  11          1HH1      ARG  11 -11.602  -3.122   6.655
   91   1HH2  ARG  11          2HH2      ARG  11 -12.679   0.223   6.771
   92   2HH2  ARG  11          1HH2      ARG  11 -13.207  -1.421   6.654
   93    H    SER  12           H        SER  12  -6.041   3.936   3.189
   94    HA   SER  12           HA       SER  12  -5.920   5.595   5.645
   95   1HB   SER  12          2HB       SER  12  -3.574   4.497   4.053
   96   2HB   SER  12          1HB       SER  12  -3.300   5.816   5.130
   97    HG   SER  12           HG       SER  12  -4.133   3.233   5.696
   98    H    ALA  13           H        ALA  13  -5.308   7.860   5.128
   99    HA   ALA  13           HA       ALA  13  -6.220   8.557   2.350
  100   1HB   ALA  13          1HB       ALA  13  -6.225  10.231   4.898
  101   2HB   ALA  13          2HB       ALA  13  -7.626   9.400   4.234
  102   3HB   ALA  13          3HB       ALA  13  -6.884  10.715   3.344
  103    H    ASP  14           H        ASP  14  -3.505   7.834   3.365
  104    HA   ASP  14           HA       ASP  14  -2.043  10.282   2.423
  105   1HB   ASP  14          1HB       ASP  14  -1.704   9.414   4.907
  106   2HB   ASP  14          2HB       ASP  14  -0.829   8.099   4.155
  107    H    SER  15           H        SER  15  -0.159   9.772   1.188
  108    HA   SER  15           HA       SER  15  -0.387   7.231  -0.377
  109   1HB   SER  15          2HB       SER  15  -0.821   9.190  -1.790
  110   2HB   SER  15          1HB       SER  15   0.576  10.047  -1.148
  111    HG   SER  15           HG       SER  15   1.260   7.560  -2.003
  112    H    SER  16           H        SER  16   1.957   9.658   0.762
  113    HA   SER  16           HA       SER  16   4.312   8.167   0.427
  114   1HB   SER  16          2HB       SER  16   3.623  10.140   2.666
  115   2HB   SER  16          1HB       SER  16   5.262   9.629   2.240
  116    HG   SER  16           HG       SER  16   3.948  10.303   0.011
  117    H    ASN  17           H        ASN  17   1.987   8.044   3.060
  118    HA   ASN  17           HA       ASN  17   3.536   6.025   4.549
  119   1HB   ASN  17          1HB       ASN  17   0.882   7.378   5.196
  120   2HB   ASN  17          2HB       ASN  17   1.785   6.328   6.273
  121   1HD2  ASN  17          2HD2      ASN  17   2.834   7.540   7.797
  122   2HD2  ASN  17          1HD2      ASN  17   3.613   9.023   7.512
  123    H    LEU  18           H        LEU  18   1.649   5.768   1.965
  124    HA   LEU  18           HA       LEU  18   0.237   3.289   2.823
  125   1HB   LEU  18          1HB       LEU  18  -1.228   4.930   1.753
  126   2HB   LEU  18          2HB       LEU  18  -0.131   5.097   0.386
  127    HG   LEU  18           HG       LEU  18  -0.580   2.748  -0.285
  128   1HD1  LEU  18          1HD1      LEU  18  -1.015   1.774   2.028
  129   2HD1  LEU  18          2HD1      LEU  18  -2.315   1.403   0.914
  130   3HD1  LEU  18          3HD1      LEU  18  -2.511   2.690   2.086
  131   1HD2  LEU  18          1HD2      LEU  18  -2.097   4.526  -1.108
  132   2HD2  LEU  18          2HD2      LEU  18  -3.119   4.296   0.308
  133   3HD2  LEU  18          3HD2      LEU  18  -2.966   3.019  -0.895
  134    H    LYS  19           H        LYS  19   2.311   4.729   0.343
  135    HA   LYS  19           HA       LYS  19   2.918   2.249  -0.978
  136   1HB   LYS  19          1HB       LYS  19   4.411   4.935  -0.787
  137   2HB   LYS  19          2HB       LYS  19   4.965   3.629  -1.826
  138   1HG   LYS  19          2HG       LYS  19   2.661   3.621  -2.909
  139   2HG   LYS  19          1HG       LYS  19   2.258   5.034  -1.953
  140   1HD   LYS  19          2HD       LYS  19   3.929   6.376  -3.048
  141   2HD   LYS  19          1HD       LYS  19   4.654   4.974  -3.822
  142   1HE   LYS  19          2HE       LYS  19   3.233   6.135  -5.459
  143   2HE   LYS  19          1HE       LYS  19   2.500   4.589  -5.072
  144   1HZ   LYS  19          1HZ       LYS  19   1.382   7.103  -4.883
  145   2HZ   LYS  19          2HZ       LYS  19   1.547   6.567  -3.290
  146   3HZ   LYS  19          3HZ       LYS  19   0.694   5.626  -4.418
  147    H    THR  20           H        THR  20   4.293   4.005   1.747
  148    HA   THR  20           HA       THR  20   6.514   2.195   2.178
  149    HB   THR  20           HB       THR  20   4.991   4.004   4.205
  150    HG1  THR  20           HG1      THR  20   6.611   4.471   2.103
  151   1HG2  THR  20          1HG2      THR  20   7.870   2.914   4.214
  152   2HG2  THR  20          2HG2      THR  20   6.598   2.275   5.237
  153   3HG2  THR  20          3HG2      THR  20   7.152   3.921   5.463
  154    H    HIS  21           H        HIS  21   3.205   2.410   3.454
  155    HA   HIS  21           HA       HIS  21   3.180   0.213   5.185
  156   1HB   HIS  21          1HB       HIS  21   1.101   1.490   4.972
  157   2HB   HIS  21          2HB       HIS  21   0.987   1.207   3.256
  158    HD1  HIS  21           HD1      HIS  21   0.609  -0.697   6.446
  159    HD2  HIS  21           HD2      HIS  21  -0.229  -1.139   2.473
  160    HE1  HIS  21           HE1      HIS  21  -0.755  -2.750   6.249
  161    H    ILE  22           H        ILE  22   2.472   0.119   1.692
  162    HA   ILE  22           HA       ILE  22   2.397  -2.665   1.361
  163    HB   ILE  22           HB       ILE  22   3.198  -0.444  -0.562
  164   1HG1  ILE  22          2HG1      ILE  22   0.543  -1.901  -0.125
  165   2HG1  ILE  22          1HG1      ILE  22   0.906  -0.294   0.450
  166   1HG2  ILE  22          1HG2      ILE  22   2.472  -3.341  -1.188
  167   2HG2  ILE  22          2HG2      ILE  22   4.040  -2.605  -1.439
  168   3HG2  ILE  22          3HG2      ILE  22   2.677  -2.085  -2.397
  169   1HD1  ILE  22          1HD       ILE  22   1.217   0.498  -1.878
  170   2HD1  ILE  22          2HD       ILE  22  -0.390  -0.162  -1.618
  171   3HD1  ILE  22          3HD       ILE  22   0.808  -1.100  -2.483
  172    H    LYS  23           H        LYS  23   5.193  -0.557   1.361
  173    HA   LYS  23           HA       LYS  23   7.026  -2.760   0.671
  174   1HB   LYS  23          1HB       LYS  23   7.097  -0.342  -0.245
  175   2HB   LYS  23          2HB       LYS  23   7.725   0.127   1.317
  176   1HG   LYS  23          2HG       LYS  23   9.667  -1.435   0.988
  177   2HG   LYS  23          1HG       LYS  23   9.010  -1.877  -0.578
  178   1HD   LYS  23          2HD       LYS  23   9.101   0.624  -1.191
  179   2HD   LYS  23          1HD       LYS  23   9.945   0.887   0.325
  180   1HE   LYS  23          2HE       LYS  23  11.564   0.671  -1.509
  181   2HE   LYS  23          1HE       LYS  23  11.746  -0.693  -0.418
  182   1HZ   LYS  23          1HZ       LYS  23  11.196  -0.729  -3.143
  183   2HZ   LYS  23          2HZ       LYS  23   9.819  -1.327  -2.354
  184   3HZ   LYS  23          3HZ       LYS  23  11.329  -2.050  -2.084
  185    H    THR  24           H        THR  24   5.618  -1.885   3.455
  186    HA   THR  24           HA       THR  24   8.000  -2.596   5.138
  187    HB   THR  24           HB       THR  24   5.614  -0.829   5.937
  188    HG1  THR  24           HG1      THR  24   7.830  -0.438   4.489
  189   1HG2  THR  24          1HG2      THR  24   8.356  -1.292   7.255
  190   2HG2  THR  24          2HG2      THR  24   6.873  -1.991   7.882
  191   3HG2  THR  24          3HG2      THR  24   7.073  -0.248   7.857
  192    H    LYS  25           H        LYS  25   4.575  -3.005   4.740
  193    HA   LYS  25           HA       LYS  25   4.336  -5.119   6.762
  194   1HB   LYS  25          1HB       LYS  25   2.322  -3.627   5.030
  195   2HB   LYS  25          2HB       LYS  25   1.844  -4.873   6.159
  196   1HG   LYS  25          2HG       LYS  25   3.330  -2.282   6.855
  197   2HG   LYS  25          1HG       LYS  25   1.615  -2.526   7.061
  198   1HD   LYS  25          2HD       LYS  25   3.747  -4.146   8.522
  199   2HD   LYS  25          1HD       LYS  25   2.857  -2.799   9.194
  200   1HE   LYS  25          2HE       LYS  25   0.716  -4.035   8.858
  201   2HE   LYS  25          1HE       LYS  25   1.605  -5.408   8.211
  202   1HZ   LYS  25          1HZ       LYS  25   1.075  -4.800  10.865
  203   2HZ   LYS  25          2HZ       LYS  25   2.755  -4.687  10.652
  204   3HZ   LYS  25          3HZ       LYS  25   1.938  -6.119  10.235
  205    H    HIS  26           H        HIS  26   4.153  -4.612   3.303
  206    HA   HIS  26           HA       HIS  26   3.746  -7.571   2.943
  207   1HB   HIS  26          1HB       HIS  26   3.179  -5.308   0.978
  208   2HB   HIS  26          2HB       HIS  26   2.836  -7.003   0.728
  209    HD1  HIS  26           HD1      HIS  26   1.260  -7.952   2.870
  210    HD2  HIS  26           HD2      HIS  26   1.038  -3.966   2.008
  211    HE1  HIS  26           HE1      HIS  26  -0.854  -7.142   3.867
  212    H    SER  27           H        SER  27   6.103  -7.247   3.623
  213    HA   SER  27           HA       SER  27   7.805  -7.275   1.156
  214   1HB   SER  27          2HB       SER  27   8.531  -6.206   3.940
  215   2HB   SER  27          1HB       SER  27   9.612  -6.226   2.527
  216    HG   SER  27           HG       SER  27   7.577  -4.553   3.103
  217    H    LYS  28           H        LYS  28   6.596  -9.461   1.873
  218    HA   LYS  28           HA       LYS  28   6.864 -11.460   3.348
  219   1HB   LYS  28          1HB       LYS  28   6.544 -11.613   0.856
  220   2HB   LYS  28          2HB       LYS  28   8.281 -11.702   0.669
  221   1HG   LYS  28          2HG       LYS  28   7.444 -13.954   0.576
  222   2HG   LYS  28          1HG       LYS  28   8.264 -13.803   2.116
  223   1HD   LYS  28          2HD       LYS  28   6.129 -13.499   3.300
  224   2HD   LYS  28          1HD       LYS  28   5.246 -13.459   1.784
  225   1HE   LYS  28          2HE       LYS  28   6.831 -15.855   2.812
  226   2HE   LYS  28          1HE       LYS  28   5.084 -15.684   2.884
  227   1HZ   LYS  28          1HZ       LYS  28   6.649 -16.637   0.792
  228   2HZ   LYS  28          2HZ       LYS  28   5.925 -15.199   0.255
  229   3HZ   LYS  28          3HZ       LYS  28   4.962 -16.468   0.848
  230    H    GLU  29           H        GLU  29   8.224 -11.136   5.094
  231    HA   GLU  29           HA       GLU  29  11.113 -11.863   4.712
  232   1HB   GLU  29          1HB       GLU  29  10.502  -9.605   5.749
  233   2HB   GLU  29          2HB       GLU  29   9.778 -10.479   7.090
  234   1HG   GLU  29          2HG       GLU  29  12.041 -11.576   7.505
  235   2HG   GLU  29          1HG       GLU  29  12.696 -10.593   6.212
  236    H    LYS  30           H        LYS  30   9.507 -13.815   4.418
  237    HA   LYS  30           HA       LYS  30   9.481 -15.443   6.926
  238   1HB   LYS  30          1HB       LYS  30   7.194 -15.162   6.411
  239   2HB   LYS  30          2HB       LYS  30   7.477 -15.092   4.693
  240   1HG   LYS  30          2HG       LYS  30   6.306 -17.164   5.274
  241   2HG   LYS  30          1HG       LYS  30   7.889 -17.550   4.648
  242   1HD   LYS  30          2HD       LYS  30   8.712 -17.795   7.053
  243   2HD   LYS  30          1HD       LYS  30   7.066 -17.523   7.589
  244   1HE   LYS  30          2HE       LYS  30   7.899 -19.745   5.680
  245   2HE   LYS  30          1HE       LYS  30   7.659 -19.973   7.404
  246   1HZ   LYS  30          1HZ       LYS  30   5.756 -20.018   5.375
  247   2HZ   LYS  30          2HZ       LYS  30   5.414 -18.673   6.358
  248   3HZ   LYS  30          3HZ       LYS  30   5.526 -20.224   7.045
  Start of MODEL   25
    1   1H    LYS   1          1H        LYS   1 -11.041  11.252  -1.136
    2   2H    LYS   1          2H        LYS   1 -10.981  12.167   0.291
    3   3H    LYS   1          3H        LYS   1 -10.858  10.476   0.368
    4    HA   LYS   1           HA       LYS   1  -8.876  11.415  -1.373
    5   1HB   LYS   1          2HB       LYS   1  -7.548  12.784   0.286
    6   2HB   LYS   1          1HB       LYS   1  -9.037  13.588  -0.174
    7   1HG   LYS   1          2HG       LYS   1 -10.108  13.109   1.875
    8   2HG   LYS   1          1HG       LYS   1  -9.061  11.768   2.271
    9   1HD   LYS   1          2HD       LYS   1  -7.167  13.467   2.570
   10   2HD   LYS   1          1HD       LYS   1  -8.367  14.736   2.387
   11   1HE   LYS   1          2HE       LYS   1  -9.647  13.817   4.319
   12   2HE   LYS   1          1HE       LYS   1  -8.491  12.505   4.473
   13   1HZ   LYS   1          1HZ       LYS   1  -7.264  13.760   5.743
   14   2HZ   LYS   1          2HZ       LYS   1  -8.374  15.035   5.599
   15   3HZ   LYS   1          3HZ       LYS   1  -7.074  14.909   4.507
   16    H    THR   2           H        THR   2  -9.801   8.959  -0.413
   17    HA   THR   2           HA       THR   2  -7.618   8.101   1.463
   18    HB   THR   2           HB       THR   2 -10.171   6.536   0.913
   19    HG1  THR   2           HG1      THR   2 -10.042   7.813   3.281
   20   1HG2  THR   2          1HG2      THR   2  -8.301   6.625   3.346
   21   2HG2  THR   2          2HG2      THR   2  -8.235   5.345   2.146
   22   3HG2  THR   2          3HG2      THR   2  -9.669   5.550   3.133
   23    H    TYR   3           H        TYR   3  -6.744   6.132   1.153
   24    HA   TYR   3           HA       TYR   3  -6.663   4.999  -1.606
   25   1HB   TYR   3          1HB       TYR   3  -4.253   5.415   0.225
   26   2HB   TYR   3          2HB       TYR   3  -4.225   4.969  -1.470
   27    HD1  TYR   3           HD1      TYR   3  -5.409   6.724  -3.116
   28    HD2  TYR   3           HD2      TYR   3  -4.097   7.664   0.826
   29    HE1  TYR   3           HE1      TYR   3  -5.447   9.110  -3.667
   30    HE2  TYR   3           HE2      TYR   3  -4.144  10.047   0.268
   31    HH   TYR   3           HH       TYR   3  -5.214  11.182  -2.909
   32    H    GLN   4           H        GLN   4  -6.449   2.774  -1.650
   33    HA   GLN   4           HA       GLN   4  -6.503   1.350   0.985
   34   1HB   GLN   4          1HB       GLN   4  -8.719   1.340  -0.003
   35   2HB   GLN   4          2HB       GLN   4  -8.088   0.865  -1.562
   36   1HG   GLN   4          2HG       GLN   4  -9.203  -1.021  -0.353
   37   2HG   GLN   4          1HG       GLN   4  -7.531  -1.372  -0.726
   38   1HE2  GLN   4          1HE2      GLN   4  -6.597  -2.441   0.960
   39   2HE2  GLN   4          2HE2      GLN   4  -6.874  -2.144   2.610
   40    H    CYS   5           H        CYS   5  -5.274  -0.373   1.250
   41    HA   CYS   5           HA       CYS   5  -3.004  -0.869  -0.416
   42   1HB   CYS   5          1HB       CYS   5  -3.051  -1.271   2.038
   43   2HB   CYS   5          2HB       CYS   5  -4.254  -2.537   1.805
   44    H    GLN   6           H        GLN   6  -2.589  -2.614  -1.817
   45    HA   GLN   6           HA       GLN   6  -5.025  -4.088  -2.779
   46   1HB   GLN   6          1HB       GLN   6  -2.391  -3.611  -4.245
   47   2HB   GLN   6          2HB       GLN   6  -3.861  -4.251  -4.943
   48   1HG   GLN   6          2HG       GLN   6  -3.511  -1.411  -3.883
   49   2HG   GLN   6          1HG       GLN   6  -3.540  -1.878  -5.570
   50   1HE2  GLN   6          1HE2      GLN   6  -5.537  -1.730  -6.568
   51   2HE2  GLN   6          2HE2      GLN   6  -7.028  -1.693  -5.757
   52    H    TYR   7           H        TYR   7  -3.603  -4.808  -0.499
   53    HA   TYR   7           HA       TYR   7  -2.658  -7.531  -1.238
   54   1HB   TYR   7          1HB       TYR   7  -1.293  -5.601   0.721
   55   2HB   TYR   7          2HB       TYR   7  -0.815  -7.269   0.477
   56    HD1  TYR   7           HD1      TYR   7  -0.252  -8.000  -1.956
   57    HD2  TYR   7           HD2      TYR   7  -0.435  -3.914  -0.763
   58    HE1  TYR   7           HE1      TYR   7   1.051  -7.364  -3.928
   59    HE2  TYR   7           HE2      TYR   7   0.860  -3.286  -2.738
   60    HH   TYR   7           HH       TYR   7   1.936  -3.978  -4.543
   61    H    CYS   8           H        CYS   8  -3.382  -5.404   1.487
   62    HA   CYS   8           HA       CYS   8  -5.155  -7.516   2.664
   63   1HB   CYS   8          1HB       CYS   8  -4.493  -6.805   4.867
   64   2HB   CYS   8          2HB       CYS   8  -3.016  -7.069   3.959
   65    H    GLU   9           H        GLU   9  -6.212  -5.985   4.626
   66    HA   GLU   9           HA       GLU   9  -7.863  -3.998   3.124
   67   1HB   GLU   9          1HB       GLU   9  -9.504  -4.477   5.101
   68   2HB   GLU   9          2HB       GLU   9  -9.313  -5.682   3.859
   69   1HG   GLU   9          2HG       GLU   9  -9.355  -6.683   6.129
   70   2HG   GLU   9          1HG       GLU   9  -7.864  -7.037   5.291
   71    H    PHE  10           H        PHE  10  -5.725  -2.873   3.666
   72    HA   PHE  10           HA       PHE  10  -5.961  -1.307   6.213
   73   1HB   PHE  10          1HB       PHE  10  -3.751  -2.427   6.005
   74   2HB   PHE  10          2HB       PHE  10  -3.559  -1.822   4.363
   75    HD1  PHE  10           HD1      PHE  10  -4.051  -0.587   7.889
   76    HD2  PHE  10           HD2      PHE  10  -2.465   0.229   4.019
   77    HE1  PHE  10           HE1      PHE  10  -3.055   1.490   8.732
   78    HE2  PHE  10           HE2      PHE  10  -1.484   2.359   4.894
   79    HZ   PHE  10           HZ       PHE  10  -1.763   2.959   7.180
   80    H    ARG  11           H        ARG  11  -6.646   0.717   5.959
   81    HA   ARG  11           HA       ARG  11  -6.497   2.025   3.263
   82   1HB   ARG  11          1HB       ARG  11  -8.631   3.137   3.822
   83   2HB   ARG  11          2HB       ARG  11  -8.820   1.400   3.842
   84   1HG   ARG  11          2HG       ARG  11  -8.461   1.499   6.393
   85   2HG   ARG  11          1HG       ARG  11  -8.570   3.246   6.254
   86   1HD   ARG  11          2HD       ARG  11 -10.824   3.073   5.297
   87   2HD   ARG  11          1HD       ARG  11 -10.725   1.312   5.304
   88    HE   ARG  11           HE       ARG  11 -10.780   3.027   7.760
   89   1HH1  ARG  11          1HH1      ARG  11 -13.169   1.419   6.959
   90   2HH1  ARG  11          2HH1      ARG  11 -12.981  -0.017   7.911
   91   1HH2  ARG  11          2HH2      ARG  11  -9.609   0.645   8.593
   92   2HH2  ARG  11          1HH2      ARG  11 -10.906  -0.470   8.863
   93    H    SER  12           H        SER  12  -5.802   4.088   3.223
   94    HA   SER  12           HA       SER  12  -5.245   5.522   5.786
   95   1HB   SER  12          2HB       SER  12  -3.052   5.142   3.635
   96   2HB   SER  12          1HB       SER  12  -2.778   5.638   5.243
   97    HG   SER  12           HG       SER  12  -3.027   3.799   5.999
   98    H    ALA  13           H        ALA  13  -4.874   7.857   5.401
   99    HA   ALA  13           HA       ALA  13  -6.119   8.741   2.819
  100   1HB   ALA  13          1HB       ALA  13  -7.638   9.010   4.740
  101   2HB   ALA  13          2HB       ALA  13  -7.159  10.582   4.114
  102   3HB   ALA  13          3HB       ALA  13  -6.432   9.963   5.588
  103    H    ASP  14           H        ASP  14  -3.472   8.441   2.836
  104    HA   ASP  14           HA       ASP  14  -2.462  11.256   2.750
  105   1HB   ASP  14          1HB       ASP  14  -1.438  10.200   4.689
  106   2HB   ASP  14          2HB       ASP  14  -1.018   8.774   3.756
  107    H    SER  15           H        SER  15  -1.411   8.055   1.872
  108    HA   SER  15           HA       SER  15  -1.461   7.157  -0.414
  109   1HB   SER  15          2HB       SER  15  -1.838   9.345  -1.648
  110   2HB   SER  15          1HB       SER  15  -0.197   9.865  -1.227
  111    HG   SER  15           HG       SER  15  -0.971   8.250  -3.191
  112    H    SER  16           H        SER  16   1.272   9.429   0.223
  113    HA   SER  16           HA       SER  16   3.278   7.528  -0.450
  114   1HB   SER  16          2HB       SER  16   4.888   9.078   0.674
  115   2HB   SER  16          1HB       SER  16   3.700  10.037  -0.207
  116    HG   SER  16           HG       SER  16   3.446  10.919   1.672
  117    H    ASN  17           H        ASN  17   1.464   7.992   2.456
  118    HA   ASN  17           HA       ASN  17   3.180   6.382   4.169
  119   1HB   ASN  17          1HB       ASN  17   0.288   7.343   4.484
  120   2HB   ASN  17          2HB       ASN  17   1.123   6.386   5.692
  121   1HD2  ASN  17          1HD2      ASN  17   1.576   7.843   7.339
  122   2HD2  ASN  17          2HD2      ASN  17   2.378   9.322   7.124
  123    H    LEU  18           H        LEU  18   0.228   5.849   2.250
  124    HA   LEU  18           HA       LEU  18  -0.198   3.150   3.068
  125   1HB   LEU  18          1HB       LEU  18  -1.914   4.434   1.743
  126   2HB   LEU  18          2HB       LEU  18  -0.811   4.495   0.374
  127    HG   LEU  18           HG       LEU  18  -0.915   2.003   0.182
  128   1HD1  LEU  18          1HD1      LEU  18  -1.410   1.449   2.545
  129   2HD1  LEU  18          2HD1      LEU  18  -2.620   0.770   1.480
  130   3HD1  LEU  18          3HD1      LEU  18  -2.989   2.210   2.408
  131   1HD2  LEU  18          1HD2      LEU  18  -2.506   3.389  -1.111
  132   2HD2  LEU  18          2HD2      LEU  18  -3.643   3.333   0.232
  133   3HD2  LEU  18          3HD2      LEU  18  -3.233   1.865  -0.637
  134    H    LYS  19           H        LYS  19   1.588   4.451   0.294
  135    HA   LYS  19           HA       LYS  19   2.496   1.929  -0.682
  136   1HB   LYS  19          1HB       LYS  19   4.214   4.500  -0.683
  137   2HB   LYS  19          2HB       LYS  19   4.308   3.196  -1.847
  138   1HG   LYS  19          2HG       LYS  19   2.041   5.196  -1.541
  139   2HG   LYS  19          1HG       LYS  19   3.192   5.098  -2.844
  140   1HD   LYS  19          2HD       LYS  19   2.284   2.995  -3.640
  141   2HD   LYS  19          1HD       LYS  19   1.236   2.845  -2.238
  142   1HE   LYS  19          2HE       LYS  19   1.052   5.158  -4.218
  143   2HE   LYS  19          1HE       LYS  19   0.028   3.729  -4.260
  144   1HZ   LYS  19          1HZ       LYS  19  -1.266   4.669  -2.768
  145   2HZ   LYS  19          2HZ       LYS  19  -0.255   6.030  -2.672
  146   3HZ   LYS  19          3HZ       LYS  19   0.009   4.711  -1.649
  147    H    THR  20           H        THR  20   3.967   4.059   1.772
  148    HA   THR  20           HA       THR  20   6.215   2.392   2.251
  149    HB   THR  20           HB       THR  20   4.607   4.200   4.213
  150    HG1  THR  20           HG1      THR  20   5.398   5.350   2.558
  151   1HG2  THR  20          1HG2      THR  20   6.359   2.622   5.349
  152   2HG2  THR  20          2HG2      THR  20   6.728   4.333   5.469
  153   3HG2  THR  20          3HG2      THR  20   7.560   3.339   4.282
  154    H    HIS  21           H        HIS  21   3.030   2.348   3.932
  155    HA   HIS  21           HA       HIS  21   3.309   0.169   5.587
  156   1HB   HIS  21          1HB       HIS  21   1.133   1.145   5.593
  157   2HB   HIS  21          2HB       HIS  21   0.941   1.065   3.860
  158    HD1  HIS  21           HD1      HIS  21   0.680  -1.170   6.849
  159    HD2  HIS  21           HD2      HIS  21  -0.069  -1.281   2.838
  160    HE1  HIS  21           HE1      HIS  21  -0.594  -3.249   6.435
  161    H    ILE  22           H        ILE  22   2.317  -0.094   2.164
  162    HA   ILE  22           HA       ILE  22   2.382  -2.835   1.872
  163    HB   ILE  22           HB       ILE  22   3.130  -0.675  -0.155
  164   1HG1  ILE  22          2HG1      ILE  22   0.479  -2.102   0.384
  165   2HG1  ILE  22          1HG1      ILE  22   0.852  -0.498   0.970
  166   1HG2  ILE  22          1HG2      ILE  22   3.905  -2.914  -0.916
  167   2HG2  ILE  22          2HG2      ILE  22   2.562  -2.352  -1.880
  168   3HG2  ILE  22          3HG2      ILE  22   2.303  -3.565  -0.631
  169   1HD1  ILE  22          1HD       ILE  22   1.108   0.321  -1.360
  170   2HD1  ILE  22          2HD       ILE  22  -0.487  -0.346  -1.069
  171   3HD1  ILE  22          3HD       ILE  22   0.697  -1.274  -1.965
  172    H    LYS  23           H        LYS  23   5.139  -0.724   1.214
  173    HA   LYS  23           HA       LYS  23   6.940  -2.819   0.560
  174   1HB   LYS  23          1HB       LYS  23   7.478   0.044   1.424
  175   2HB   LYS  23          2HB       LYS  23   8.651  -1.026   0.657
  176   1HG   LYS  23          2HG       LYS  23   7.125  -1.312  -1.296
  177   2HG   LYS  23          1HG       LYS  23   5.952  -0.239  -0.569
  178   1HD   LYS  23          2HD       LYS  23   7.789   1.557  -0.568
  179   2HD   LYS  23          1HD       LYS  23   8.714   0.460  -1.582
  180   1HE   LYS  23          2HE       LYS  23   5.925   1.520  -2.235
  181   2HE   LYS  23          1HE       LYS  23   7.419   2.050  -2.990
  182   1HZ   LYS  23          1HZ       LYS  23   7.226   0.423  -4.427
  183   2HZ   LYS  23          2HZ       LYS  23   5.797  -0.106  -3.676
  184   3HZ   LYS  23          3HZ       LYS  23   7.294  -0.733  -3.185
  185    H    THR  24           H        THR  24   6.060  -1.657   3.694
  186    HA   THR  24           HA       THR  24   8.400  -3.103   4.885
  187    HB   THR  24           HB       THR  24   8.177  -0.662   5.502
  188    HG1  THR  24           HG1      THR  24   9.000  -1.424   7.261
  189   1HG2  THR  24          1HG2      THR  24   5.583  -0.603   5.597
  190   2HG2  THR  24          2HG2      THR  24   6.360   0.001   7.046
  191   3HG2  THR  24          3HG2      THR  24   5.680  -1.616   7.025
  192    H    LYS  25           H        LYS  25   5.073  -3.395   4.435
  193    HA   LYS  25           HA       LYS  25   4.745  -5.290   6.705
  194   1HB   LYS  25          1HB       LYS  25   2.726  -3.792   5.017
  195   2HB   LYS  25          2HB       LYS  25   2.240  -5.056   6.124
  196   1HG   LYS  25          2HG       LYS  25   3.689  -2.463   6.818
  197   2HG   LYS  25          1HG       LYS  25   2.007  -2.814   7.135
  198   1HD   LYS  25          2HD       LYS  25   4.397  -4.158   8.459
  199   2HD   LYS  25          1HD       LYS  25   3.248  -3.077   9.201
  200   1HE   LYS  25          2HE       LYS  25   2.600  -5.876   8.163
  201   2HE   LYS  25          1HE       LYS  25   2.676  -5.368   9.836
  202   1HZ   LYS  25          1HZ       LYS  25   0.515  -5.225   8.085
  203   2HZ   LYS  25          2HZ       LYS  25   0.933  -3.643   8.523
  204   3HZ   LYS  25          3HZ       LYS  25   0.584  -4.788   9.726
  205    H    HIS  26           H        HIS  26   4.429  -5.130   3.190
  206    HA   HIS  26           HA       HIS  26   3.685  -8.002   3.173
  207   1HB   HIS  26          1HB       HIS  26   3.390  -5.824   1.084
  208   2HB   HIS  26          2HB       HIS  26   2.904  -7.494   0.855
  209    HD1  HIS  26           HD1      HIS  26   1.317  -8.245   3.084
  210    HD2  HIS  26           HD2      HIS  26   1.200  -4.309   1.983
  211    HE1  HIS  26           HE1      HIS  26  -0.763  -7.310   4.033
  212    H    SER  27           H        SER  27   5.765  -5.752   1.557
  213    HA   SER  27           HA       SER  27   7.509  -8.040   0.666
  214   1HB   SER  27          2HB       SER  27   8.341  -6.526  -1.127
  215   2HB   SER  27          1HB       SER  27   6.582  -6.634  -1.199
  216    HG   SER  27           HG       SER  27   7.305  -4.755   0.581
  217    H    LYS  28           H        LYS  28   9.780  -7.351   0.273
  218    HA   LYS  28           HA       LYS  28  10.926  -5.718   2.494
  219   1HB   LYS  28          1HB       LYS  28  11.161  -8.172   3.012
  220   2HB   LYS  28          2HB       LYS  28  11.916  -8.418   1.451
  221   1HG   LYS  28          2HG       LYS  28  13.727  -6.733   2.197
  222   2HG   LYS  28          1HG       LYS  28  12.969  -6.726   3.771
  223   1HD   LYS  28          2HD       LYS  28  14.859  -8.270   3.811
  224   2HD   LYS  28          1HD       LYS  28  13.376  -9.177   3.992
  225   1HE   LYS  28          2HE       LYS  28  14.952 -10.271   2.393
  226   2HE   LYS  28          1HE       LYS  28  13.477  -9.824   1.564
  227   1HZ   LYS  28          1HZ       LYS  28  14.652  -8.592   0.193
  228   2HZ   LYS  28          2HZ       LYS  28  16.081  -9.080   0.967
  229   3HZ   LYS  28          3HZ       LYS  28  15.285  -7.671   1.469
  230    H    GLU  29           H        GLU  29  11.457  -4.012   1.251
  231    HA   GLU  29           HA       GLU  29  12.102  -2.865  -0.753
  232   1HB   GLU  29          1HB       GLU  29  14.584  -4.008   0.580
  233   2HB   GLU  29          2HB       GLU  29  14.604  -2.642  -0.519
  234   1HG   GLU  29          2HG       GLU  29  12.999  -1.427   1.011
  235   2HG   GLU  29          1HG       GLU  29  13.082  -2.781   2.123
  236    H    LYS  30           H        LYS  30  11.394  -3.835  -2.565
  237    HA   LYS  30           HA       LYS  30  13.042  -5.929  -3.889
  238   1HB   LYS  30          1HB       LYS  30  11.110  -6.200  -5.373
  239   2HB   LYS  30          2HB       LYS  30  10.574  -6.244  -3.706
  240   1HG   LYS  30          2HG       LYS  30   9.845  -3.868  -3.844
  241   2HG   LYS  30          1HG       LYS  30  10.470  -3.736  -5.471
  242   1HD   LYS  30          2HD       LYS  30   8.194  -4.100  -5.831
  243   2HD   LYS  30          1HD       LYS  30   8.869  -5.697  -6.065
  244   1HE   LYS  30          2HE       LYS  30   6.910  -5.984  -4.693
  245   2HE   LYS  30          1HE       LYS  30   8.266  -6.157  -3.588
  246   1HZ   LYS  30          1HZ       LYS  30   7.649  -3.454  -3.706
  247   2HZ   LYS  30          2HZ       LYS  30   7.403  -4.520  -2.399
  248   3HZ   LYS  30          3HZ       LYS  30   6.183  -4.292  -3.538