*HEADER    HYDROLASE INHIBITOR                     18-NOV-04   1Y1C              
*TITLE     SOLUTION STRUCTURE OF ANEMONIA ELASTASE INHIBITOR ANALOGUE            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ELASTASE INHIBITOR;                                        
*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 SEQUENCE IS MODIFIED FROM THE SEQUENCE           
*SOURCE   4 OCCURING NATURALLY IN SEA ANEMONE ANEMONIA SULCATA ((SNAKE-          
*SOURCE   5 LOCKS SEA ANEMONE).                                                  
*KEYWDS    NON-CLASSICAL, KAZAL-TYPE, PROTEASE INHIBITOR, CSH MOTIF              
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    H.HEMMI, T.KUMAZAKI, K.YOSHIZAWA-KUMAGAYE, Y.NISHIUCHI,               
*AUTHOR   2 T.YOSHIDA, T.OHKUBO, Y.KOBAYASHI                                     
*REVDAT   1   19-JUL-05 1Y1C    0                                                

!AEI-mutant constraints file

!NOEs

assign (residue 1 and name HA) (residue 2 and name HD#) 2.0 0.2 2.5 
assign (residue 2 and name HA) (residue 3 and name HN) 2.0 0.2 0.7
assign (residue 2 and name HB#) (residue 3 and name HN) 2.0 0.2 4.0
assign (residue 2 and name HG#) (residue 3 and name HN) 2.0 0.2 2.5
assign (residue 3 and name HA) (residue 4 and name HN) 2.0 0.2 0.7
assign (residue 3 and name HB#) (residue 3 and name HN) 2.0 0.2 2.1
assign (residue 3 and name HB#) (residue 4 and name HN) 2.0 0.2 4.0
assign (residue 4 and name HA) (residue 5 and name HD#) 2.0 0.2 2.5
assign (residue 4 and name HA) (residue 5 and name HG#) 2.0 0.2 4.0
assign (residue 4 and name HB#) (residue 3 and name HN) 2.0 0.2 4.5
assign (residue 4 and name HB#) (residue 4 and name HN) 2.0 0.2 1.3
assign (residue 4 and name HB#) (residue 5 and name HD#) 2.0 0.2 4.5
assign (residue 4 and name HB#) (residue 5 and name HG#) 2.0 0.2 4.5
assign (residue 4 and name HB#) (residue 31 and name HA) 2.0 0.2 4.5
assign (residue 4 and name HB#) (residue 33 and name HB#) 2.0 0.2 5.5
assign (residue 4 and name HN) (residue 3 and name HN) 2.0 0.2 3.0
assign (residue 4 and name HN) (residue 30 and name HB2) 2.0 0.2 3.0
assign (residue 4 and name HN) (residue 31 and name HA) 2.0 0.2 3.0
assign (residue 5 and name HA) (residue 6 and name HN) 2.0 0.2 0.7
assign (residue 5 and name HA) (residue 6 and name HB#) 2.0 0.2 4.0
assign (residue 5 and name HA) (residue 31 and name HB#) 2.0 0.2 4.0
assign (residue 5 and name HB#) (residue 6 and name HN) 2.0 0.2 2.5
assign (residue 5 and name HD#) (residue 4 and name HB#) 2.0 0.2 3.0
assign (residue 5 and name HD#) (residue 4 and name HN) 2.0 0.2 4.0
assign (residue 5 and name HD#) (residue 6 and name HN) 2.0 0.2 4.0
assign (residue 6 and name HA) (residue 7 and name HG1#) 2.0 0.2 4.0
assign (residue 6 and name HA) (residue 7 and name HB) 2.0 0.2 3.0
assign (residue 6 and name HA) (residue 7 and name HN) 2.0 0.2 0.7
assign (residue 6 and name HA) (residue 31 and name HN) 2.0 0.2 3.0
assign (residue 6 and name HB#) (residue 6 and name HN) 2.0 0.2 2.1
assign (residue 6 and name HB#) (residue 7 and name HN) 2.0 0.2 2.5
assign (residue 6 and name HB#) (residue 8 and name HN) 2.0 0.2 4.0
assign (residue 6 and name HB#) (residue 28 and name HA) 2.0 0.2 4.0
assign (residue 6 and name HB#) (residue 31 and name HB#) 2.0 0.2 5.0
assign (residue 6 and name HB#) (residue 32 and name HB#) 2.0 0.2 5.5
assign (residue 6 and name HB#) (residue 34 and name HB#) 2.0 0.2 6.0
assign (residue 7 and name HA) (residue 8 and name HB#) 2.0 0.2 4.0
assign (residue 7 and name HA) (residue 8 and name HA) 2.0 0.2 3.0
assign (residue 7 and name HA) (residue 8 and name HN) 2.0 0.2 0.7
assign (residue 7 and name HB) (residue 7 and name HN) 2.0 0.2 0.7
assign (residue 7 and name HB) (residue 8 and name HN) 2.0 0.2 3.0
assign (residue 7 and name HD1#) (residue 7 and name HN) 2.0 0.2 4.5
assign (residue 7 and name HG1#) (residue 7 and name HN) 2.0 0.2 2.1
assign (residue 7 and name HG1#) (residue 8 and name HN) 2.0 0.2 4.0
assign (residue 7 and name HG2#) (residue 7 and name HN) 2.0 0.2 3.0
assign (residue 7 and name HG2#) (residue 9 and name HN) 2.0 0.2 3.0
assign (residue 8 and name HA) (residue 8 and name HB1) 2.0 0.2 0.7
assign (residue 8 and name HA) (residue 8 and name HB2) 2.0 0.2 1.5
assign (residue 8 and name HA) (residue 9 and name HG2#) 2.0 0.2 4.5
assign (residue 8 and name HA) (residue 9 and name HN) 2.0 0.2 1.5
assign (residue 8 and name HA) (residue 9 and name HA) 2.0 0.2 3.0
assign (residue 8 and name HA) (residue 27 and name HB1) 2.0 0.2 3.0
assign (residue 8 and name HA) (residue 27 and name HB2) 2.0 0.2 3.0
assign (residue 8 and name HB2) (residue 8 and name HN) 2.0 0.2 0.7
assign (residue 8 and name HB2) (residue 9 and name HN) 2.0 0.2 1.5
assign (residue 8 and name HB2) (residue 25 and name HD2#) 2.0 0.2 4.0
assign (residue 8 and name HB2) (residue 27 and name HN) 2.0 0.2 3.0
assign (residue 8 and name HB1) (residue 8 and name HN) 2.0 0.2 1.5
assign (residue 8 and name HB1) (residue 9 and name HN) 2.0 0.2 1.5
assign (residue 8 and name HB1) (residue 25 and name HD2#) 2.0 0.2 4.0
assign (residue 8 and name HB1) (residue 27 and name HN) 2.0 0.2 3.0
assign (residue 8 and name HN) (residue 7 and name HN) 2.0 0.2 3.0
assign (residue 8 and name HN) (residue 9 and name HN) 2.0 0.2 3.0
assign (residue 9 and name HA) (residue 10 and name HN) 2.0 0.2 0.7
assign (residue 9 and name HA) (residue 10 and name HB2) 2.0 0.2 3.0
assign (residue 9 and name HA) (residue 25 and name HD2#) 2.0 0.2 4.0
assign (residue 9 and name HB) (residue 9 and name HN) 2.0 0.2 1.5
assign (residue 9 and name HB) (residue 11 and name HN) 2.0 0.2 1.8
assign (residue 9 and name HG2#) (residue 9 and name HN) 2.0 0.2 1.8
assign (residue 9 and name HG2#) (residue 10 and name HN) 2.0 0.2 3.5
assign (residue 9 and name HG2#) (residue 11 and name HN) 2.0 0.2 3.5
assign (residue 9 and name HG2#) (residue 11 and name HB#) 2.0 0.2 5.5
assign (residue 9 and name HG2#) (residue 25 and name HD21) 2.0 0.2 4.5
assign (residue 9 and name HG2#) (residue 25 and name HD22) 2.0 0.2 4.5
assign (residue 9 and name HG2#) (residue 27 and name HN) 2.0 0.2 4.5
assign (residue 10 and name HA) (residue 11 and name HN) 2.0 0.2 1.0
assign (residue 10 and name HA) (residue 25 and name HD21) 2.0 0.2 2.0
assign (residue 10 and name HA) (residue 25 and name HD22) 2.0 0.2 2.0
assign (residue 10 and name HB2) (residue 10 and name HN) 2.0 0.2 0.7
assign (residue 10 and name HB2) (residue 11 and name HN) 2.0 0.2 3.0
assign (residue 10 and name HB1) (residue 10 and name HN) 2.0 0.2 1.5
assign (residue 10 and name HB1) (residue 11 and name HN) 2.0 0.2 3.0
assign (residue 10 and name HG#) (residue 10 and name HN) 2.0 0.2 3.6
assign (residue 10 and name HG#) (residue 11 and name HN) 2.0 0.2 4.0
assign (residue 11 and name HA) (residue 12 and name HN) 2.0 0.2 1.5
assign (residue 11 and name HB#) (residue 11 and name HN) 2.0 0.2 1.3
assign (residue 11 and name HB#) (residue 12 and name HN) 2.0 0.2 2.5
assign (residue 11 and name HB#) (residue 25 and name HD21) 2.0 0.2 4.0
assign (residue 11 and name HB#) (residue 25 and name HD22) 2.0 0.2 4.0
assign (residue 11 and name HG#) (residue 11 and name HN) 2.0 0.2 3.6
assign (residue 11 and name HG#) (residue 12 and name HN) 2.0 0.2 4.0
assign (residue 11 and name HN) (residue 10 and name HN) 2.0 0.2 0.7
assign (residue 11 and name HN) (residue 12 and name HN) 2.0 0.2 1.5
assign (residue 12 and name HA) (residue 13 and name HN) 2.0 0.2 0.7
assign (residue 12 and name HA) (residue 25 and name HD21) 2.0 0.2 3.0
assign (residue 12 and name HA) (residue 25 and name HD22) 2.0 0.2 3.0
assign (residue 12 and name HB#) (residue 12 and name HN) 2.0 0.2 1.3
assign (residue 12 and name HB#) (residue 13 and name HN) 2.0 0.2 2.5
assign (residue 12 and name HB#) (residue 25 and name HD2#) 2.0 0.2 5.0
assign (residue 12 and name HD#) (residue 12 and name HN) 2.0 0.2 3.9
assign (residue 12 and name HD#) (residue 13 and name HN) 2.0 0.2 3.9
assign (residue 12 and name HE#) (residue 12 and name HN) 2.0 0.2 5.4
assign (residue 12 and name HE#) (residue 13 and name HN) 2.0 0.2 5.4
assign (residue 12 and name HE#) (residue 22 and name HG2#) 2.0 0.2 6.4
assign (residue 12 and name HE#) (residue 24 and name HN) 2.0 0.2 5.4
assign (residue 13 and name HA) (residue 14 and name HD#) 2.0 0.2 1.7
assign (residue 13 and name HA) (residue 14 and name HG#) 2.0 0.2 2.5
assign (residue 13 and name HB2) (residue 13 and name HN) 2.0 0.2 1.5
assign (residue 13 and name HB2) (residue 26 and name HN) 2.0 0.2 3.0
assign (residue 13 and name HB1) (residue 13 and name HN) 2.0 0.2 1.5
assign (residue 13 and name HB1) (residue 26 and name HN) 2.0 0.2 3.0
assign (residue 14 and name HA) (residue 12 and name HD#) 2.0 0.2 5.4
assign (residue 14 and name HA) (residue 12 and name HE#) 2.0 0.2 5.4
assign (residue 14 and name HA) (residue 15 and name HG1#) 2.0 0.2 3.0
assign (residue 14 and name HA) (residue 15 and name HG2#) 2.0 0.2 4.5
assign (residue 14 and name HA) (residue 15 and name HA) 2.0 0.2 3.0
assign (residue 14 and name HA) (residue 15 and name HN) 2.0 0.2 0.7
assign (residue 14 and name HA) (residue 22 and name HG2#) 2.0 0.2 3.0
assign (residue 14 and name HA) (residue 24 and name HA#) 2.0 0.2 4.0
assign (residue 14 and name HA) (residue 25 and name HN) 2.0 0.2 1.8
assign (residue 14 and name HB#) (residue 12 and name HE#) 2.0 0.2 6.4
assign (residue 14 and name HB#) (residue 13 and name HN) 2.0 0.2 4.0
assign (residue 14 and name HB#) (residue 15 and name HN) 2.0 0.2 2.5
assign (residue 14 and name HB#) (residue 23 and name HN) 2.0 0.2 4.0
assign (residue 14 and name HB#) (residue 25 and name HN) 2.0 0.2 4.0
assign (residue 16 and name HB#) (residue 44 and name HN) 2.0 0.2 4.0
assign (residue 14 and name HB#) (residue 22 and name HG2#) 2.0 0.2 4.0
assign (residue 14 and name HD#) (residue 12 and name HE#) 2.0 0.2 6.4
assign (residue 14 and name HD#) (residue 13 and name HN) 2.0 0.2 2.5
assign (residue 14 and name HD#) (residue 15 and name HG#) 2.0 0.2 6.9
assign (residue 14 and name HG#) (residue 12 and name HE#) 2.0 0.2 4.9
assign (residue 14 and name HG#) (residue 13 and name HN) 2.0 0.2 4.0
assign (residue 14 and name HG#) (residue 15 and name HN) 2.0 0.2 4.0
assign (residue 14 and name HG#) (residue 22 and name HG2#) 2.0 0.2 5.5
assign (residue 15 and name HA) (residue 14 and name HG#) 2.0 0.2 4.0
assign (residue 15 and name HA) (residue 16 and name HB2) 2.0 0.2 2.0
assign (residue 15 and name HA) (residue 16 and name HB1) 2.0 0.2 3.0
assign (residue 15 and name HA) (residue 16 and name HA) 2.0 0.2 3.0
assign (residue 15 and name HA) (residue 16 and name HN) 2.0 0.2 0.7
assign (residue 15 and name HA) (residue 22 and name HA) 2.0 0.2 3.0
assign (residue 15 and name HA) (residue 23 and name HN) 2.0 0.2 3.0
assign (residue 12 and name HA) (residue 25 and name HB#) 2.0 0.2 4.0
assign (residue 15 and name HA) (residue 44 and name HN) 2.0 0.2 3.0
assign (residue 15 and name HA) (residue 45 and name HA) 2.0 0.2 1.5
assign (residue 15 and name HA) (residue 45 and name HN) 2.0 0.2 3.0
assign (residue 15 and name HA) (residue 46 and name HN) 2.0 0.2 1.5
assign (residue 15 and name HB) (residue 15 and name HN) 2.0 0.2 1.5
assign (residue 15 and name HB) (residue 42 and name HG) 2.0 0.2 1.5
assign (residue 15 and name HB) (residue 44 and name HN) 2.0 0.2 3.0
assign (residue 15 and name HG1#) (residue 15 and name HN) 2.0 0.2 3.5
assign (residue 15 and name HG1#) (residue 25 and name HA) 2.0 0.2 3.5
assign (residue 15 and name HG1#) (residue 26 and name HN) 2.0 0.2 3.5
assign (residue 15 and name HG1#) (residue 26 and name HB#) 2.0 0.2 4.5
assign (residue 15 and name HG1#) (residue 27 and name HN) 2.0 0.2 4.5
assign (residue 15 and name HG#) (residue 13 and name HN) 2.0 0.2 5.9
assign (residue 15 and name HG2#) (residue 15 and name HN) 2.0 0.2 3.5
assign (residue 15 and name HG#) (residue 16 and name HN) 2.0 0.2 5.9
assign (residue 15 and name HG#) (residue 17 and name HN) 2.0 0.2 5.9
assign (residue 15 and name HG#) (residue 23 and name HN) 2.0 0.2 5.9
assign (residue 15 and name HG#) (residue 25 and name HN) 2.0 0.2 5.9
assign (residue 15 and name HG2#) (residue 25 and name HA) 2.0 0.2 3.5
assign (residue 15 and name HG2#) (residue 26 and name HN) 2.0 0.2 3.5
assign (residue 15 and name HG2#) (residue 26 and name HB#) 2.0 0.2 4.0
assign (residue 15 and name HG2#) (residue 27 and name HN) 2.0 0.2 4.5
assign (residue 15 and name HG#) (residue 45 and name HN) 2.0 0.2 5.9
assign (residue 15 and name HG#) (residue 45 and name HB#) 2.0 0.2 6.9
assign (residue 15 and name HG#) (residue 46 and name HN) 2.0 0.2 5.9
assign (residue 15 and name HN) (residue 23 and name HN) 2.0 0.2 1.5
assign (residue 15 and name HN) (residue 46 and name HN) 2.0 0.2 3.0
assign (residue 16 and name HB2) (residue 16 and name HA) 2.0 0.2 1.5
assign (residue 16 and name HB1) (residue 16 and name HA) 2.0 0.2 0.7
assign (residue 16 and name HA) (residue 17 and name HA#) 2.0 0.2 4.0
assign (residue 16 and name HA) (residue 17 and name HN) 2.0 0.2 0.7
assign (residue 16 and name HA) (residue 21 and name HN) 2.0 0.2 3.0
assign (residue 16 and name HA) (residue 22 and name HG2#) 2.0 0.2 3.5
assign (residue 16 and name HA) (residue 22 and name HN) 2.0 0.2 3.0
assign (residue 16 and name HA) (residue 22 and name HA) 2.0 0.2 1.0 
assign (residue 16 and name HA) (residue 23 and name HE#) 2.0 0.2 5.4
assign (residue 16 and name HA) (residue 23 and name HN) 2.0 0.2 1.5
assign (residue 16 and name HA) (residue 42 and name HD1#) 2.0 0.2 4.5
assign (residue 16 and name HA) (residue 42 and name HD2#) 2.0 0.2 4.5
assign (residue 16 and name HA) (residue 43 and name HN) 2.0 0.2 3.0
assign (residue 16 and name HA) (residue 44 and name HD2) 2.0 0.2 3.0
assign (residue 16 and name HA) (residue 44 and name HN) 2.0 0.2 3.0
assign (residue 16 and name HA) (residue 47 and name HA) 2.0 0.2 3.0
assign (residue 16 and name HB2) (residue 16 and name HN) 2.0 0.2 0.7
assign (residue 16 and name HB2) (residue 17 and name HN) 2.0 0.2 3.0
assign (residue 16 and name HB2) (residue 43 and name HN) 2.0 0.2 3.0
assign (residue 16 and name HB2) (residue 44 and name HD2) 2.0 0.2 0.7
assign (residue 16 and name HB2) (residue 46 and name HN) 2.0 0.2 3.0
assign (residue 14 and name HB#) (residue 47 and name HN) 2.0 0.2 4.0
assign (residue 16 and name HB2) (residue 48 and name HB1) 2.0 0.2 3.0
assign (residue 16 and name HB1) (residue 16 and name HN) 2.0 0.2 1.5
assign (residue 16 and name HB1) (residue 17 and name HN) 2.0 0.2 1.8
assign (residue 16 and name HB1) (residue 43 and name HN) 2.0 0.2 3.0
assign (residue 16 and name HB1) (residue 44 and name HD2) 2.0 0.2 0.7
assign (residue 16 and name HB1) (residue 44 and name HN) 2.0 0.2 1.5
assign (residue 16 and name HB1) (residue 48 and name HB1) 2.0 0.2 3.0
assign (residue 16 and name HN) (residue 17 and name HN) 2.0 0.2 3.0
assign (residue 16 and name HN) (residue 22 and name HA) 2.0 0.2 3.0
assign (residue 16 and name HN) (residue 23 and name HN) 2.0 0.2 3.0
assign (residue 16 and name HN) (residue 43 and name HN) 2.0 0.2 3.0
assign (residue 17 and name HN) (residue 23 and name HN) 2.0 0.2 1.5
assign (residue 17 and name HA#) (residue 18 and name HN) 2.0 0.2 2.5
assign (residue 17 and name HA#) (residue 21 and name HN) 2.0 0.2 4.0
assign (residue 17 and name HA#) (residue 29 and name HD1#) 2.0 0.2 5.5
assign (residue 17 and name HA#) (residue 19 and name HN) 2.0 0.2 4.0
assign (residue 17 and name HA#) (residue 23 and name HE#) 2.0 0.2 4.9
assign (residue 17 and name HA#) (residue 40 and name HD1#) 2.0 0.2 4.5
assign (residue 17 and name HA#) (residue 43 and name HN) 2.0 0.2 4.0
assign (residue 17 and name HA#) (residue 44 and name HN) 2.0 0.2 4.0
assign (residue 17 and name HA#) (residue 29 and name HD2#) 2.0 0.2 5.5
assign (residue 17 and name HA#) (residue 40 and name HG1#) 2.0 0.2 5.0
assign (residue 17 and name HA#) (residue 41 and name HN) 2.0 0.2 4.0
assign (residue 17 and name HA#) (residue 42 and name HA) 2.0 0.2 1.7
assign (residue 17 and name HA#) (residue 42 and name HB1) 2.0 0.2 3.0
assign (residue 17 and name HA#) (residue 43 and name HG#) 2.0 0.2 6.9
assign (residue 18 and name HA) (residue 19 and name HN) 2.0 0.2 1.5
assign (residue 18 and name HA) (residue 20 and name HN) 2.0 0.2 3.0
assign (residue 18 and name HA) (residue 20 and name HA#) 2.0 0.2 4.0
assign (residue 18 and name HA) (residue 23 and name HE#) 2.0 0.2 5.4
assign (residue 18 and name HA) (residue 41 and name HN) 2.0 0.2 3.0
assign (residue 18 and name HB#) (residue 18 and name HN) 2.0 0.2 2.5
assign (residue 18 and name HB#) (residue 41 and name HB#) 2.0 0.2 3.5
assign (residue 18 and name HB#) (residue 41 and name HN) 2.0 0.2 4.0
assign (residue 18 and name HB#) (residue 43 and name HG1#) 2.0 0.2 4.0
assign (residue 18 and name HB#) (residue 43 and name HG2#) 2.0 0.2 4.0
assign (residue 19 and name HA) (residue 20 and name HN) 2.0 0.2 1.5
assign (residue 19 and name HB#) (residue 19 and name HN) 2.0 0.2 2.5
assign (residue 19 and name HB#) (residue 20 and name HN) 2.0 0.2 4.0
assign (residue 19 and name HB#) (residue 40 and name HD1#) 2.0 0.2 5.5
assign (residue 19 and name HB#) (residue 21 and name HD1#) 2.0 0.2 5.0
assign (residue 19 and name HB#) (residue 21 and name HN) 2.0 0.2 3.0
assign (residue 19 and name HN) (residue 17 and name HN) 2.0 0.2 3.0
assign (residue 20 and name HA#) (residue 21 and name HN) 2.0 0.2 2.5
assign (residue 21 and name HA) (residue 22 and name HN) 2.0 0.2 0.7
assign (residue 17 and name HA#) (residue 42 and name HD#) 2.0 0.2 5.4
assign (residue 21 and name HB) (residue 17 and name HN) 2.0 0.2 3.0
assign (residue 21 and name HB) (residue 21 and name HN) 2.0 0.2 0.7
assign (residue 21 and name HB) (residue 22 and name HN) 2.0 0.2 3.0
assign (residue 21 and name HB) (residue 23 and name HE#) 2.0 0.2 3.9
assign (residue 21 and name HD1#) (residue 20 and name HN) 2.0 0.2 4.5
assign (residue 21 and name HD1#) (residue 21 and name HN) 2.0 0.2 4.5
assign (residue 21 and name HD1#) (residue 22 and name HN) 2.0 0.2 3.0
assign (residue 21 and name HD1#) (residue 23 and name HE#) 2.0 0.2 6.9
assign (residue 21 and name HG1#) (residue 21 and name HN) 2.0 0.2 2.5
assign (residue 21 and name HG1#) (residue 22 and name HN) 2.0 0.2 4.0
assign (residue 21 and name HG2#) (residue 17 and name HN) 2.0 0.2 4.5
assign (residue 21 and name HG2#) (residue 20 and name HN) 2.0 0.2 4.5
assign (residue 21 and name HG2#) (residue 21 and name HN) 2.0 0.2 3.0
assign (residue 21 and name HG2#) (residue 22 and name HN) 2.0 0.2 2.2
assign (residue 21 and name HG2#) (residue 23 and name HA) 2.0 0.2 4.5
assign (residue 21 and name HG2#) (residue 23 and name HE#) 2.0 0.2 5.4
assign (residue 21 and name HG2#) (residue 23 and name HN) 2.0 0.2 4.5
assign (residue 21 and name HG2#) (residue 24 and name HN) 2.0 0.2 4.5
assign (residue 21 and name HN) (residue 17 and name HN) 2.0 0.2 1.5
assign (residue 21 and name HN) (residue 20 and name HN) 2.0 0.2 0.7
assign (residue 21 and name HN) (residue 23 and name HE#) 2.0 0.2 5.4
assign (residue 22 and name HA) (residue 16 and name HB2) 2.0 0.2 3.0
assign (residue 22 and name HA) (residue 16 and name HB1) 2.0 0.2 3.0
assign (residue 22 and name HA) (residue 17 and name HN) 2.0 0.2 1.5
assign (residue 22 and name HA) (residue 21 and name HG2#) 2.0 0.2 4.5
assign (residue 22 and name HA) (residue 23 and name HB2) 2.0 0.2 3.0
assign (residue 22 and name HA) (residue 23 and name HE#) 2.0 0.2 5.4
assign (residue 22 and name HA) (residue 23 and name HA) 2.0 0.2 3.0
assign (residue 22 and name HA) (residue 23 and name HN) 2.0 0.2 0.7
assign (residue 22 and name HB) (residue 14 and name HG#) 2.0 0.2 4.0
assign (residue 22 and name HB) (residue 22 and name HN) 2.0 0.2 1.5
assign (residue 22 and name HB) (residue 23 and name HN) 2.0 0.2 3.0
assign (residue 22 and name HG2#) (residue 15 and name HN) 2.0 0.2 3.0
assign (residue 22 and name HG2#) (residue 16 and name HN) 2.0 0.2 3.0
assign (residue 22 and name HG2#) (residue 17 and name HN) 2.0 0.2 4.5
assign (residue 22 and name HG2#) (residue 21 and name HG2#) 2.0 0.2 5.5
assign (residue 22 and name HG2#) (residue 22 and name HN) 2.0 0.2 3.0
assign (residue 22 and name HG2#) (residue 23 and name HE#) 2.0 0.2 6.9
assign (residue 22 and name HG2#) (residue 23 and name HN) 2.0 0.2 2.2
assign (residue 22 and name HG2#) (residue 24 and name HN) 2.0 0.2 4.5
assign (residue 22 and name HG2#) (residue 47 and name HN) 2.0 0.2 3.5
assign (residue 22 and name HN) (residue 17 and name HN) 2.0 0.2 3.0
assign (residue 22 and name HN) (residue 23 and name HN) 2.0 0.2 3.0
assign (residue 23 and name HA) (residue 24 and name HA#) 2.0 0.2 4.0
assign (residue 23 and name HA) (residue 24 and name HN) 2.0 0.2 0.7
assign (residue 23 and name HA) (residue 29 and name HG) 2.0 0.2 3.0
assign (residue 23 and name HB2) (residue 15 and name HG#) 2.0 0.2 3.6
assign (residue 23 and name HB2) (residue 15 and name HN) 2.0 0.2 3.0
assign (residue 23 and name HB2) (residue 17 and name HN) 2.0 0.2 3.0
assign (residue 23 and name HB2) (residue 23 and name HN) 2.0 0.2 0.7
assign (residue 23 and name HB2) (residue 24 and name HN) 2.0 0.2 3.0
assign (residue 23 and name HB2) (residue 25 and name HN) 2.0 0.2 1.5
assign (residue 23 and name HB2) (residue 29 and name HB2) 2.0 0.2 3.0
assign (residue 23 and name HB2) (residue 29 and name HG) 2.0 0.2 1.5
assign (residue 23 and name HB2) (residue 29 and name HD#) 2.0 0.2 5.9
assign (residue 23 and name HB2) (residue 29 and name HN) 2.0 0.2 3.0
assign (residue 23 and name HB1) (residue 15 and name HG#) 2.0 0.2 4.4
assign (residue 23 and name HB1) (residue 23 and name HN) 2.0 0.2 1.5
assign (residue 23 and name HB1) (residue 24 and name HN) 2.0 0.2 1.5
assign (residue 23 and name HB1) (residue 29 and name HB1) 2.0 0.2 3.0
assign (residue 23 and name HB1) (residue 29 and name HD#) 2.0 0.2 5.9
assign (residue 23 and name HE#) (residue 15 and name HN) 2.0 0.2 5.4
assign (residue 23 and name HE#) (residue 17 and name HN) 2.0 0.2 3.9
assign (residue 23 and name HE#) (residue 23 and name HN) 2.0 0.2 3.9
assign (residue 23 and name HE#) (residue 24 and name HN) 2.0 0.2 5.4
assign (residue 24 and name HA#) (residue 12 and name HD#) 2.0 0.2 6.4
assign (residue 24 and name HA#) (residue 12 and name HE#) 2.0 0.2 6.4
assign (residue 24 and name HA#) (residue 13 and name HN) 2.0 0.2 4.0
assign (residue 24 and name HA#) (residue 25 and name HN) 2.0 0.2 1.7
assign (residue 24 and name HN) (residue 23 and name HN) 2.0 0.2 3.0
assign (residue 25 and name HA) (residue 13 and name HB2) 2.0 0.2 3.0
assign (residue 25 and name HA) (residue 13 and name HB1) 2.0 0.2 3.0
assign (residue 25 and name HA) (residue 13 and name HN) 2.0 0.2 1.5
assign (residue 25 and name HA) (residue 15 and name HN) 2.0 0.2 1.5
assign (residue 25 and name HA) (residue 23 and name HB1) 2.0 0.2 3.0
assign (residue 25 and name HA) (residue 26 and name HN) 2.0 0.2 0.7
assign (residue 25 and name HA) (residue 27 and name HN) 2.0 0.2 1.8
assign (residue 25 and name HA) (residue 28 and name HN) 2.0 0.2 3.0
assign (residue 25 and name HB#) (residue 11 and name HN) 2.0 0.2 4.0
assign (residue 25 and name HB#) (residue 13 and name HB1) 2.0 0.2 4.0
assign (residue 25 and name HB#) (residue 25 and name HN) 2.0 0.2 2.5
assign (residue 25 and name HB#) (residue 26 and name HN) 2.0 0.2 1.7
assign (residue 25 and name HB#) (residue 27 and name HN) 2.0 0.2 2.5
assign (residue 25 and name HB#) (residue 13 and name HN) 2.0 0.2 2.5
assign (residue 25 and name HB#) (residue 28 and name HG#) 2.0 0.2 5.0
assign (residue 25 and name HD2#) (residue 9 and name HN) 2.0 0.2 3.0
assign (residue 25 and name HD2#) (residue 11 and name HN) 2.0 0.2 3.0
assign (residue 25 and name HD2#) (residue 11 and name HA) 2.0 0.2 4.0
assign (residue 25 and name HD2#) (residue 13 and name HN) 2.0 0.2 4.0
assign (residue 25 and name HD2#) (residue 26 and name HN) 2.0 0.2 4.0
assign (residue 25 and name HD2#) (residue 27 and name HB1) 2.0 0.2 4.0
assign (residue 25 and name HD2#) (residue 27 and name HB2) 2.0 0.2 4.0
assign (residue 25 and name HN) (residue 23 and name HN) 2.0 0.2 3.0
assign (residue 25 and name HN) (residue 24 and name HN) 2.0 0.2 0.7
assign (residue 25 and name HN) (residue 26 and name HN) 2.0 0.2 3.0
assign (residue 25 and name HN) (residue 27 and name HN) 2.0 0.2 3.0
assign (residue 25 and name HN) (residue 28 and name HN) 2.0 0.2 1.5
assign (residue 26 and name HA) (residue 27 and name HN) 2.0 0.2 1.5
assign (residue 26 and name HA) (residue 28 and name HN) 2.0 0.2 3.0
assign (residue 26 and name HA) (residue 29 and name HB1) 2.0 0.2 1.5
assign (residue 26 and name HA) (residue 29 and name HN) 2.0 0.2 1.5
assign (residue 26 and name HA) (residue 29 and name HD#) 2.0 0.2 5.9
assign (residue 26 and name HN) (residue 29 and name HN) 2.0 0.2 3.0
assign (residue 26 and name HA) (residue 30 and name HN) 2.0 0.2 3.0
assign (residue 26 and name HB#) (residue 26 and name HN) 2.0 0.2 1.8
assign (residue 26 and name HB#) (residue 27 and name HN) 2.0 0.2 2.2
assign (residue 26 and name HB#) (residue 28 and name HN) 2.0 0.2 4.5
assign (residue 26 and name HB#) (residue 29 and name HB1) 2.0 0.2 4.5
assign (residue 26 and name HB#) (residue 29 and name HN) 2.0 0.2 4.5
assign (residue 26 and name HB#) (residue 30 and name HN) 2.0 0.2 4.5
assign (residue 27 and name HA) (residue 26 and name HB#) 2.0 0.2 4.0
assign (residue 27 and name HB1) (residue 27 and name HA) 2.0 0.2 0.7
assign (residue 27 and name HB2) (residue 27 and name HA) 2.0 0.2 1.5
assign (residue 27 and name HA) (residue 28 and name HN) 2.0 0.2 1.5
assign (residue 27 and name HA) (residue 29 and name HN) 2.0 0.2 3.0
assign (residue 27 and name HA) (residue 30 and name HB1) 2.0 0.2 2.0
assign (residue 27 and name HA) (residue 30 and name HB2) 2.0 0.2 1.5
assign (residue 27 and name HA) (residue 30 and name HD#) 2.0 0.2 4.4
assign (residue 27 and name HA) (residue 30 and name HN) 2.0 0.2 1.5
assign (residue 27 and name HA) (residue 31 and name HN) 2.0 0.2 3.0
assign (residue 27 and name HB1) (residue 8 and name HB1) 2.0 0.2 3.0
assign (residue 27 and name HB1) (residue 8 and name HB2) 2.0 0.2 3.0
assign (residue 27 and name HB1) (residue 27 and name HN) 2.0 0.2 1.5
assign (residue 27 and name HB1) (residue 28 and name HN) 2.0 0.2 1.5
assign (residue 27 and name HB2) (residue 8 and name HB1) 2.0 0.2 1.5
assign (residue 27 and name HB2) (residue 8 and name HB2) 2.0 0.2 3.0
assign (residue 27 and name HB2) (residue 26 and name HN) 2.0 0.2 3.0
assign (residue 27 and name HB2) (residue 27 and name HN) 2.0 0.2 1.5
assign (residue 27 and name HB2) (residue 28 and name HG#) 2.0 0.2 4.0
assign (residue 27 and name HB2) (residue 28 and name HN) 2.0 0.2 0.7
assign (residue 27 and name HN) (residue 26 and name HN) 2.0 0.2 0.7
assign (residue 27 and name HN) (residue 28 and name HN) 2.0 0.2 0.7
assign (residue 28 and name HA) (residue 29 and name HN) 2.0 0.2 1.5
assign (residue 28 and name HA) (residue 30 and name HN) 2.0 0.2 3.0
assign (residue 28 and name HA) (residue 31 and name HB#) 2.0 0.2 2.5
assign (residue 28 and name HA) (residue 31 and name HN) 2.0 0.2 1.5
assign (residue 28 and name HA) (residue 32 and name HN) 2.0 0.2 3.0
assign (residue 28 and name HB2) (residue 23 and name HE#) 2.0 0.2 5.4
assign (residue 28 and name HB2) (residue 24 and name HN) 2.0 0.2 1.5
assign (residue 28 and name HB2) (residue 25 and name HD2#) 2.0 0.2 4.0
assign (residue 28 and name HB2) (residue 25 and name HN) 2.0 0.2 0.7
assign (residue 28 and name HB2) (residue 26 and name HN) 2.0 0.2 3.0
assign (residue 28 and name HB2) (residue 27 and name HN) 2.0 0.2 3.0
assign (residue 28 and name HB2) (residue 28 and name HN) 2.0 0.2 0.7
assign (residue 28 and name HB2) (residue 29 and name HG) 2.0 0.2 3.0
assign (residue 28 and name HB2) (residue 29 and name HN) 2.0 0.2 1.5
assign (residue 28 and name HB2) (residue 31 and name HN) 2.0 0.2 3.0
assign (residue 28 and name HB1) (residue 23 and name HE#) 2.0 0.2 5.4
assign (residue 28 and name HB1) (residue 24 and name HN) 2.0 0.2 3.0
assign (residue 28 and name HB1) (residue 25 and name HD2#) 2.0 0.2 4.0
assign (residue 28 and name HB1) (residue 25 and name HN) 2.0 0.2 1.5
assign (residue 28 and name HB1) (residue 28 and name HN) 2.0 0.2 1.5
assign (residue 28 and name HB1) (residue 29 and name HN) 2.0 0.2 1.5
assign (residue 28 and name HB1) (residue 31 and name HN) 2.0 0.2 3.0
assign (residue 28 and name HB1) (residue 32 and name HN) 2.0 0.2 3.0
assign (residue 28 and name HG#) (residue 25 and name HD2#) 2.0 0.2 5.0
assign (residue 28 and name HG#) (residue 25 and name HN) 2.0 0.2 2.5
assign (residue 28 and name HG#) (residue 27 and name HN) 2.0 0.2 4.0
assign (residue 28 and name HG#) (residue 28 and name HN) 2.0 0.2 1.7
assign (residue 28 and name HG#) (residue 29 and name HN) 2.0 0.2 4.0
assign (residue 28 and name HG#) (residue 31 and name HN) 2.0 0.2 4.0
assign (residue 28 and name HN) (residue 26 and name HN) 2.0 0.2 3.0
assign (residue 29 and name HA) (residue 23 and name HE#) 2.0 0.2 5.4
assign (residue 29 and name HA) (residue 30 and name HN) 2.0 0.2 1.5
assign (residue 29 and name HA) (residue 31 and name HN) 2.0 0.2 3.0
assign (residue 29 and name HA) (residue 32 and name HB#) 2.0 0.2 1.2
assign (residue 29 and name HA) (residue 32 and name HN) 2.0 0.2 1.5
assign (residue 29 and name HA) (residue 33 and name HN) 2.0 0.2 3.0
assign (residue 29 and name HG) (residue 23 and name HE#) 2.0 0.2 3.9 
assign (residue 29 and name HG) (residue 23 and name HN) 2.0 0.2 3.0
assign (residue 29 and name HB1) (residue 27 and name HN) 2.0 0.2 3.0
assign (residue 29 and name HB1) (residue 29 and name HN) 2.0 0.2 1.5
assign (residue 29 and name HB1) (residue 30 and name HN) 2.0 0.2 1.5
assign (residue 29 and name HB1) (residue 31 and name HN) 2.0 0.2 3.0
assign (residue 29 and name HB1) (residue 32 and name HN) 2.0 0.2 3.0
assign (residue 29 and name HB1) (residue 33 and name HN) 2.0 0.2 3.0
assign (residue 29 and name HB2) (residue 23 and name HE#) 2.0 0.2 5.4
assign (residue 29 and name HB2) (residue 27 and name HN) 2.0 0.2 3.0
assign (residue 29 and name HB2) (residue 29 and name HN) 2.0 0.2 0.7
assign (residue 29 and name HB2) (residue 30 and name HN) 2.0 0.2 0.7
assign (residue 29 and name HD1#) (residue 23 and name HE#) 2.0 0.2 6.9
assign (residue 29 and name HD1#) (residue 29 and name HN) 2.0 0.2 4.5
assign (residue 29 and name HD1#) (residue 30 and name HN) 2.0 0.2 3.5
assign (residue 29 and name HD#) (residue 30 and name HG) 2.0 0.2 5.9
assign (residue 29 and name HD#) (residue 32 and name HN) 2.0 0.2 5.9
assign (residue 29 and name HD#) (residue 33 and name HA) 2.0 0.2 5.9
assign (residue 29 and name HD1#) (residue 33 and name HN) 2.0 0.2 4.0
assign (residue 29 and name HD#) (residue 34 and name HN) 2.0 0.2 5.9
assign (residue 29 and name HD1#) (residue 41 and name HN) 2.0 0.2 4.5
assign (residue 29 and name HD2#) (residue 41 and name HN) 2.0 0.2 4.5
assign (residue 29 and name HD#) (residue 42 and name HN) 2.0 0.2 5.9
assign (residue 29 and name HD2#) (residue 23 and name HE#) 2.0 0.2 6.9
assign (residue 29 and name HD#) (residue 23 and name HN) 2.0 0.2 4.4
assign (residue 29 and name HD#) (residue 24 and name HN) 2.0 0.2 5.9
assign (residue 29 and name HD#) (residue 25 and name HN) 2.0 0.2 5.9
assign (residue 29 and name HD2#) (residue 29 and name HN) 2.0 0.2 3.0
assign (residue 29 and name HD2#) (residue 30 and name HN) 2.0 0.2 3.5
assign (residue 29 and name HD#) (residue 31 and name HN) 2.0 0.2 5.9
assign (residue 29 and name HD2#) (residue 33 and name HN) 2.0 0.2 3.5
assign (residue 29 and name HG) (residue 29 and name HN) 2.0 0.2 1.5
assign (residue 29 and name HN) (residue 27 and name HN) 2.0 0.2 3.0
assign (residue 29 and name HN) (residue 28 and name HN) 2.0 0.2 1.5
assign (residue 29 and name HN) (residue 30 and name HN) 2.0 0.2 1.5
assign (residue 29 and name HN) (residue 31 and name HN) 2.0 0.2 3.0
assign (residue 30 and name HA) (residue 31 and name HN) 2.0 0.2 1.5
assign (residue 30 and name HA) (residue 32 and name HN) 2.0 0.2 3.0
assign (residue 30 and name HA) (residue 33 and name HN) 2.0 0.2 1.5
assign (residue 30 and name HA) (residue 34 and name HN) 2.0 0.2 3.0
assign (residue 30 and name HB1) (residue 30 and name HN) 2.0 0.2 1.5
assign (residue 30 and name HB1) (residue 31 and name HN) 2.0 0.2 1.5
assign (residue 30 and name HB2) (residue 27 and name HN) 2.0 0.2 3.0
assign (residue 30 and name HB2) (residue 30 and name HN) 2.0 0.2 0.7
assign (residue 30 and name HB2) (residue 31 and name HN) 2.0 0.2 1.5
assign (residue 30 and name HD#) (residue 27 and name HN) 2.0 0.2 5.9
assign (residue 30 and name HD#) (residue 30 and name HN) 2.0 0.2 4.4
assign (residue 30 and name HD#) (residue 31 and name HN) 2.0 0.2 4.4
assign (residue 30 and name HD#) (residue 32 and name HN) 2.0 0.2 5.9
assign (residue 30 and name HD#) (residue 34 and name HN) 2.0 0.2 5.9
assign (residue 30 and name HG) (residue 30 and name HN) 2.0 0.2 0.7
assign (residue 30 and name HG) (residue 31 and name HN) 2.0 0.2 3.0
assign (residue 30 and name HN) (residue 28 and name HN) 2.0 0.2 3.0
assign (residue 30 and name HN) (residue 31 and name HN) 2.0 0.2 0.7
assign (residue 31 and name HA) (residue 32 and name HN) 2.0 0.2 1.5
assign (residue 31 and name HA) (residue 34 and name HB#) 2.0 0.2 1.7
assign (residue 31 and name HA) (residue 34 and name HN) 2.0 0.2 1.5
assign (residue 31 and name HA) (residue 35 and name HN) 2.0 0.2 3.0
assign (residue 31 and name HB#) (residue 30 and name HN) 2.0 0.2 4.0
assign (residue 31 and name HB#) (residue 31 and name HN) 2.0 0.2 1.7
assign (residue 31 and name HB#) (residue 32 and name HN) 2.0 0.2 2.5
assign (residue 31 and name HN) (residue 33 and name HN) 2.0 0.2 3.0
assign (residue 32 and name HA) (residue 29 and name HD#) 2.0 0.2 4.9
assign (residue 32 and name HA) (residue 33 and name HN) 2.0 0.2 1.5
assign (residue 32 and name HA) (residue 35 and name HB#) 2.0 0.2 4.0
assign (residue 32 and name HA) (residue 35 and name HN) 2.0 0.2 1.5
assign (residue 32 and name HB#) (residue 29 and name HB1) 2.0 0.2 4.5
assign (residue 32 and name HB#) (residue 23 and name HE#) 2.0 0.2 4.6
assign (residue 32 and name HB#) (residue 29 and name HD#) 2.0 0.2 4.6
assign (residue 32 and name HB#) (residue 29 and name HN) 2.0 0.2 4.5
assign (residue 32 and name HB#) (residue 30 and name HN) 2.0 0.2 4.5
assign (residue 32 and name HB#) (residue 31 and name HN) 2.0 0.2 3.0
assign (residue 32 and name HB#) (residue 32 and name HN) 2.0 0.2 2.2
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assign (residue 32 and name HB#) (residue 40 and name HD1#) 2.0 0.2 4.0
assign (residue 32 and name HN) (residue 30 and name HN) 2.0 0.2 2.0
assign (residue 32 and name HN) (residue 31 and name HN) 2.0 0.2 0.7
assign (residue 32 and name HN) (residue 33 and name HN) 2.0 0.2 0.7
assign (residue 33 and name HA) (residue 34 and name HN) 2.0 0.2 1.5
assign (residue 33 and name HA) (residue 40 and name HN) 2.0 0.2 3.0
assign (residue 33 and name HN) (residue 40 and name HN) 2.0 0.2 3.0
assign (residue 33 and name HB#) (residue 29 and name HD#) 2.0 0.2 6.4
assign (residue 33 and name HB#) (residue 33 and name HN) 2.0 0.2 1.7
assign (residue 33 and name HB#) (residue 34 and name HN) 2.0 0.2 2.5
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assign (residue 33 and name HB#) (residue 40 and name HD1#) 2.0 0.2 5.5
assign (residue 33 and name HB#) (residue 30 and name HA) 2.0 0.2 4.0
assign (residue 34 and name HA) (residue 35 and name HN) 2.0 0.2 1.5
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assign (residue 35 and name HA) (residue 34 and name HB#) 2.0 0.2 4.0
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assign (residue 35 and name HG#) (residue 36 and name HN) 2.0 0.2 4.0
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assign (residue 39 and name HA) (residue 40 and name HN) 2.0 0.2 0.7
assign (residue 39 and name HB#) (residue 40 and name HN) 2.0 0.2 4.0
assign (residue 39 and name HD#) (residue 38 and name HG2#) 2.0 0.2 4.0
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assign (residue 40 and name HA) (residue 41 and name HN) 2.0 0.2 0.7
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assign (residue 40 and name HB) (residue 41 and name HN) 2.0 0.2 3.0
assign (residue 40 and name HD1#) (residue 23 and name HE#) 2.0 0.2 6.9
assign (residue 40 and name HD1#) (residue 29 and name HD#) 2.0 0.2 6.9
assign (residue 40 and name HD1#) (residue 32 and name HN) 2.0 0.2 4.5
assign (residue 40 and name HD1#) (residue 33 and name HN) 2.0 0.2 3.0
assign (residue 40 and name HD1#) (residue 34 and name HN) 2.0 0.2 4.5
assign (residue 40 and name HD1#) (residue 36 and name HN) 2.0 0.2 4.5
assign (residue 40 and name HD1#) (residue 38 and name HN) 2.0 0.2 4.5
assign (residue 40 and name HD1#) (residue 40 and name HN) 2.0 0.2 3.0
assign (residue 40 and name HD1#) (residue 41 and name HN) 2.0 0.2 4.5
assign (residue 40 and name HG1#) (residue 29 and name HD#) 2.0 0.2 6.9
assign (residue 40 and name HG1#) (residue 40 and name HN) 2.0 0.2 2.5
assign (residue 40 and name HG1#) (residue 41 and name HN) 2.0 0.2 4.0
assign (residue 40 and name HG2#) (residue 29 and name HD#) 2.0 0.2 6.9
assign (residue 40 and name HG2#) (residue 33 and name HN) 2.0 0.2 3.5
assign (residue 40 and name HG2#) (residue 40 and name HN) 2.0 0.2 3.0
assign (residue 40 and name HG2#) (residue 41 and name HN) 2.0 0.2 3.0
assign (residue 40 and name HN) (residue 41 and name HN) 2.0 0.2 3.0
assign (residue 41 and name HA) (residue 29 and name HD#) 2.0 0.2 4.9
assign (residue 41 and name HA) (residue 42 and name HN) 2.0 0.2 0.7
assign (residue 41 and name HA) (residue 42 and name HB#) 2.0 0.2 4.0
assign (residue 41 and name HB#) (residue 18 and name HN) 2.0 0.2 4.0
assign (residue 41 and name HB#) (residue 41 and name HN) 2.0 0.2 2.5
assign (residue 41 and name HB#) (residue 42 and name HN) 2.0 0.2 2.5
assign (residue 41 and name HG#) (residue 41 and name HN) 2.0 0.2 2.5
assign (residue 41 and name HG#) (residue 42 and name HN) 2.0 0.2 2.5
assign (residue 41 and name HG#) (residue 40 and name HN) 2.0 0.2 4.0
assign (residue 41 and name HN) (residue 18 and name HN) 2.0 0.2 1.5
assign (residue 41 and name HN) (residue 42 and name HN) 2.0 0.2 3.0
assign (residue 42 and name HN) (residue 43 and name HN) 2.0 0.2 3.0
assign (residue 42 and name HA) (residue 18 and name HN) 2.0 0.2 2.0
assign (residue 42 and name HA) (residue 43 and name HN) 2.0 0.2 0.7
assign (residue 42 and name HB1) (residue 15 and name HG#) 2.0 0.2 5.9
assign (residue 42 and name HB1) (residue 42 and name HN) 2.0 0.2 1.5
assign (residue 42 and name HB1) (residue 43 and name HN) 2.0 0.2 1.5
assign (residue 42 and name HB2) (residue 29 and name HD#) 2.0 0.2 5.9
assign (residue 42 and name HB2) (residue 42 and name HN) 2.0 0.2 0.7
assign (residue 42 and name HB2) (residue 43 and name HN) 2.0 0.2 2.0
assign (residue 42 and name HD1#) (residue 16 and name HN) 2.0 0.2 3.0
assign (residue 42 and name HD1#) (residue 17 and name HN) 2.0 0.2 4.0
assign (residue 42 and name HD1#) (residue 26 and name HN) 2.0 0.2 4.5
assign (residue 42 and name HD1#) (residue 42 and name HN) 2.0 0.2 3.5
assign (residue 42 and name HD#) (residue 15 and name HA) 2.0 0.2 5.9
assign (residue 42 and name HD#) (residue 43 and name HN) 2.0 0.2 4.4
assign (residue 42 and name HD#) (residue 44 and name HD2) 2.0 0.2 5.9
assign (residue 42 and name HD#) (residue 44 and name HN) 2.0 0.2 4.4
assign (residue 42 and name HD#) (residue 45 and name HN) 2.0 0.2 4.4
assign (residue 42 and name HD#) (residue 15 and name HN) 2.0 0.2 5.9
assign (residue 42 and name HD2#) (residue 16 and name HN) 2.0 0.2 4.0
assign (residue 42 and name HD2#) (residue 17 and name HN) 2.0 0.2 4.0
assign (residue 42 and name HD#) (residue 23 and name HE#) 2.0 0.2 6.3
assign (residue 42 and name HD#) (residue 26 and name HA) 2.0 0.2 5.4
assign (residue 42 and name HD2#) (residue 26 and name HN) 2.0 0.2 4.5
assign (residue 42 and name HD#) (residue 41 and name HN) 2.0 0.2 4.9
assign (residue 42 and name HD2#) (residue 42 and name HN) 2.0 0.2 3.5
assign (residue 42 and name HG) (residue 29 and name HD#) 2.0 0.2 4.4
assign (residue 42 and name HG) (residue 42 and name HN) 2.0 0.2 3.0
assign (residue 42 and name HG) (residue 43 and name HN) 2.0 0.2 3.0
assign (residue 43 and name HA) (residue 44 and name HN) 2.0 0.2 1.5
assign (residue 43 and name HB) (residue 43 and name HN) 2.0 0.2 1.5
assign (residue 43 and name HB) (residue 44 and name HN) 2.0 0.2 2.0
assign (residue 43 and name HG1#) (residue 44 and name HE1) 2.0 0.2 2.2
assign (residue 43 and name HG1#) (residue 18 and name HN) 2.0 0.2 4.5
assign (residue 43 and name HG1#) (residue 43 and name HN) 2.0 0.2 3.0
assign (residue 43 and name HG1#) (residue 44 and name HD2) 2.0 0.2 4.5
assign (residue 43 and name HG1#) (residue 44 and name HN) 2.0 0.2 3.0
assign (residue 43 and name HG#) (residue 17 and name HN) 2.0 0.2 5.9
assign (residue 43 and name HG2#) (residue 18 and name HN) 2.0 0.2 4.5
assign (residue 43 and name HG#) (residue 41 and name HN) 2.0 0.2 5.9
assign (residue 43 and name HG#) (residue 42 and name HN) 2.0 0.2 5.9
assign (residue 43 and name HG2#) (residue 43 and name HN) 2.0 0.2 3.0
assign (residue 43 and name HG2#) (residue 44 and name HD2) 2.0 0.2 4.5
assign (residue 43 and name HG2#) (residue 44 and name HE1) 2.0 0.2 2.2
assign (residue 43 and name HG2#) (residue 44 and name HN) 2.0 0.2 3.0
assign (residue 43 and name HN) (residue 18 and name HN) 2.0 0.2 3.0
assign (residue 44 and name HA) (residue 15 and name HG#) 2.0 0.2 5.9
assign (residue 44 and name HA) (residue 16 and name HB1) 2.0 0.2 3.0
assign (residue 44 and name HA) (residue 45 and name HG#) 2.0 0.2 4.0
assign (residue 44 and name HA) (residue 45 and name HN) 2.0 0.2 1.5
assign (residue 44 and name HB#) (residue 43 and name HG#) 2.0 0.2 6.4
assign (residue 44 and name HB#) (residue 44 and name HN) 2.0 0.2 4.0
assign (residue 44 and name HB#) (residue 45 and name HN) 2.0 0.2 2.5
assign (residue 44 and name HN) (residue 16 and name HN) 2.0 0.2 1.5
assign (residue 44 and name HN) (residue 43 and name HN) 2.0 0.2 0.7
assign (residue 44 and name HN) (residue 44 and name HD2) 2.0 0.2 3.0
assign (residue 44 and name HN) (residue 44 and name HE1) 2.0 0.2 3.0
assign (residue 44 and name HN) (residue 45 and name HN) 2.0 0.2 2.0
assign (residue 45 and name HA) (residue 15 and name HG#) 2.0 0.2 4.4
assign (residue 45 and name HA) (residue 16 and name HN) 2.0 0.2 1.5
assign (residue 45 and name HA) (residue 46 and name HN) 2.0 0.2 0.7
assign (residue 45 and name HB#) (residue 45 and name HN) 2.0 0.2 2.5
assign (residue 45 and name HB#) (residue 46 and name HN) 2.0 0.2 2.5
assign (residue 45 and name HD#) (residue 45 and name HN) 2.0 0.2 4.0
assign (residue 45 and name HE#) (residue 45 and name HN) 2.0 0.2 4.0
assign (residue 45 and name HG#) (residue 45 and name HN) 2.0 0.2 4.0
assign (residue 45 and name HG#) (residue 46 and name HN) 2.0 0.2 4.0
assign (residue 46 and name HA#) (residue 47 and name HN) 2.0 0.2 1.7
assign (residue 46 and name HN) (residue 45 and name HN) 2.0 0.2 3.0
assign (residue 47 and name HA) (residue 22 and name HA) 2.0 0.2 3.0
assign (residue 47 and name HA) (residue 22 and name HG2#) 2.0 0.2 2.5
assign (residue 47 and name HA) (residue 44 and name HD2) 2.0 0.2 3.0
assign (residue 47 and name HA) (residue 48 and name HB2) 2.0 0.2 3.0
assign (residue 47 and name HA) (residue 48 and name HN) 2.0 0.2 0.7
assign (residue 47 and name HB#) (residue 47 and name HN) 2.0 0.2 1.7
assign (residue 47 and name HB#) (residue 48 and name HN) 2.0 0.2 2.5
assign (residue 47 and name HD#) (residue 22 and name HG2#) 2.0 0.2 5.5
assign (residue 47 and name HD#) (residue 47 and name HN) 2.0 0.2 4.0
assign (residue 47 and name HG#) (residue 46 and name HN) 2.0 0.2 4.0
assign (residue 47 and name HG#) (residue 47 and name HN) 2.0 0.2 2.5
assign (residue 47 and name HG#) (residue 48 and name HN) 2.0 0.2 3.0
assign (residue 47 and name HN) (residue 46 and name HN) 2.0 0.2 3.0
assign (residue 47 and name HN) (residue 48 and name HN) 2.0 0.2 1.5
assign (residue 48 and name HA) (residue 16 and name HB1) 2.0 0.2 1.5
assign (residue 48 and name HA) (residue 16 and name HB2) 2.0 0.2 3.0
assign (residue 48 and name HA) (residue 44 and name HD2) 2.0 0.2 1.5
assign (residue 48 and name HB2) (residue 44 and name HD2) 2.0 0.2 3.0
assign (residue 48 and name HB2) (residue 48 and name HN) 2.0 0.2 1.0
assign (residue 48 and name HB1) (residue 44 and name HD2) 2.0 0.2 3.0
assign (residue 48 and name HB1) (residue 48 and name HN) 2.0 0.2 2.0
assign (residue 48 and name HN) (residue 46 and name HN) 2.0 0.2 1.5
assign (residue 48 and name HN) (residue 44 and name HD2) 2.0 0.2 3.0


!hydrogen bonds

!D13
assign (resid   13 and  name HN   )(resid   24 and  name O    ) 2.0 0.3 0.4
assign (resid   13 and  name N    )(resid   24 and  name O    ) 3.0 0.3 0.4

!V15
assign (resid   15 and  name HN   )(resid   23 and  name O    ) 2.0 0.3 0.4
assign (resid   15 and  name N    )(resid   23 and  name O    ) 3.0 0.3 0.4

!C16
assign (resid   16 and  name HN   )(resid   44 and  name O    ) 2.0 0.3 0.4
assign (resid   16 and  name N    )(resid   44 and  name O    ) 3.0 0.3 0.4

!G17
assign (resid   17 and  name HN   )(resid   21 and  name O    ) 2.0 0.3 0.4
assign (resid   17 and  name N    )(resid   21 and  name O    ) 3.0 0.3 0.4

!S18
assign (resid   18 and  name HN   )(resid   41 and  name O    ) 2.0 0.3 0.4
assign (resid   18 and  name N    )(resid   41 and  name O    ) 3.0 0.3 0.4

!G20
assign (resid   20 and  name HN   )(resid   17 and  name O    ) 2.0 0.3 0.4
assign (resid   20 and  name N    )(resid   17 and  name O    ) 3.0 0.3 0.4

!I21
assign (resid   21 and  name HN   )(resid   17 and  name O    ) 2.0 0.3 0.4
assign (resid   21 and  name N    )(resid   17 and  name O    ) 3.0 0.3 0.4

!Y23
assign (resid   23 and  name HN   )(resid   15 and  name O    ) 2.0 0.3 0.4
assign (resid   23 and  name N    )(resid   15 and  name O    ) 3.0 0.3 0.4


!M28
assign (resid   28 and  name HN   )(resid   25 and  name O    ) 2.0 0.3 0.4
assign (resid   28 and  name N    )(resid   25 and  name O    ) 3.0 0.3 0.4

!L29
assign (resid   29 and  name HN   )(resid   25 and  name O    ) 2.0 0.3 0.4
assign (resid   29 and  name N    )(resid   25 and  name O    ) 3.0 0.3 0.4

!L30
assign (resid   30 and  name HN   )(resid   26 and  name O    ) 2.0 0.3 0.4
assign (resid   30 and  name N    )(resid   26 and  name O    ) 3.0 0.3 0.4

!C31
assign (resid   31 and  name HN   )(resid   27 and  name O    ) 2.0 0.3 0.4
assign (resid   31 and  name N    )(resid   27 and  name O    ) 3.0 0.3 0.4

!A32
assign (resid   32 and  name HN   )(resid   28 and  name O    ) 2.0 0.3 0.4
assign (resid   32 and  name N    )(resid   28 and  name O    ) 3.0 0.3 0.4

!S33
assign (resid   33 and  name HN   )(resid   29 and  name O    ) 2.0 0.3 0.4
assign (resid   33 and  name N    )(resid   29 and  name O    ) 3.0 0.3 0.4

!A34
assign (resid   34 and  name HN   )(resid   30 and  name O    ) 2.0 0.3 0.4
assign (resid   34 and  name N    )(resid   30 and  name O    ) 3.0 0.3 0.4

!R35
assign (resid   35 and  name HN   )(resid   31 and  name O    ) 2.0 0.3 0.4
assign (resid   35 and  name N    )(resid   31 and  name O    ) 3.0 0.3 0.4

!S36
assign (resid   36 and  name HN   )(resid   32 and  name O    ) 2.0 0.3 0.4
assign (resid   36 and  name N    )(resid   32 and  name O    ) 3.0 0.3 0.4

!I40
assign (resid   40 and  name HN   )(resid   38 and  name O    ) 2.0 0.3 0.4
assign (resid   40 and  name N    )(resid   38 and  name O    ) 3.0 0.3 0.4

!E41
assign (resid   41 and  name HN   )(resid   18 and  name O    ) 2.0 0.3 0.4
assign (resid   41 and  name N    )(resid   18 and  name O    ) 3.0 0.3 0.4

!V43
assign (resid   43 and  name HN   )(resid   16 and  name O    ) 2.0 0.3 0.4
assign (resid   43 and  name N    )(resid   16 and  name O    ) 3.0 0.3 0.4

!H44
assign (resid   44 and  name HN   )(resid   16 and  name O    ) 2.0 0.3 0.4
assign (resid   44 and  name N    )(resid   16 and  name O    ) 3.0 0.3 0.4

!G46
assign (resid   46 and  name HN   )(resid   44 and  name O    ) 2.0 0.3 0.4
assign (resid   46 and  name N    )(resid   44 and  name O    ) 3.0 0.3 0.4

!C48
assign (resid   48 and  name HN   )(resid   46 and  name O    ) 2.0 0.3 0.4
assign (resid   48 and  name N    )(resid   46 and  name O    ) 3.0 0.3 0.4


!dihedral angles

!D3
assign (resid 2 and name c)(resid 3 and name n)
        (resid 3 and name ca)(resid 3 and name c) 1.0 -100.0 80.0 2 !Phi

!A4
assign (resid 3 and name c)(resid 4 and name n)
        (resid 4 and name ca)(resid 4 and name c) 1.0 -100.0 80.0 2 !Phi

!C6
assign (resid 5 and name c)(resid 6 and name n)
        (resid 6 and name ca)(resid 6 and name c) 1.0 -120.0 50.0 2 !Phi 

!I7
assign (resid 6 and name c)(resid 7 and name n)
        (resid 7 and name ca)(resid 7 and name c) 1.0 -120.0 40.0 2 !Phi 

!C8
assign (resid 7 and name c)(resid 8 and name n)
        (resid 8 and name ca)(resid 8 and name c) 1.0 -120.0 40.0 2 !Phi
assign (resid 8 and name n)(resid 8 and name ca)
        (resid 8 and name cb)(resid 8 and name sg) 1.0  -60.0 60.0  2    !Chi 1


!T9
assign (resid 8 and name c)(resid 9 and name n)
        (resid 9 and name ca)(resid 9 and name c) 1.0 -120.0 50.0 2 !Phi

!M10
assign (resid 9 and name c)(resid 10 and name n)
        (resid 10 and name ca)(resid 10 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 10 and name n)(resid 10 and name ca)
        (resid 10 and name cb)(resid 10 and name cg) 1.0  -60.0 60.0  2    !Chi 1


!Y12
assign (resid 11 and name c)(resid 12 and name n)
        (resid 12 and name ca)(resid 12 and name c) 1.0 -100.0 80.0 2 !Phi

!D13
assign (resid 12 and name c)(resid 13 and name n)
        (resid 13 and name ca)(resid 13 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 13 and name n)(resid 13 and name ca)
        (resid 13 and name cb)(resid 13 and name cg) 1.0  180.0 60.0  2    !Chi 1


!C16
assign (resid 15 and name c)(resid 16 and name n)
        (resid 16 and name ca)(resid 16 and name c) 1.0 -120.0 40.0 2 !Phi
assign (resid 16 and name n)(resid 16 and name ca)
        (resid 16 and name c)(resid 17 and name n) 1.0 120.0 60.0 2  !Psi
assign (resid 16 and name n)(resid 16 and name ca)
        (resid 16 and name cb)(resid 16 and name sg) 1.0  -60.0 60.0  2    !Chi 1

!I21
assign (resid 20 and name c)(resid 21 and name n)
        (resid 21 and name ca)(resid 21 and name c) 1.0 -120.0 40.0 2 !Phi 
assign (resid 21 and name n)(resid 21 and name ca)
        (resid 21 and name c)(resid 22 and name n) 1.0 120.0 60.0 2  !Psi

!T22
assign (resid 21 and name c)(resid 22 and name n)
        (resid 22 and name ca)(resid 22 and name c) 1.0 -120.0 40.0 2 !Phi
assign (resid 22 and name n)(resid 22 and name ca)
        (resid 22 and name c)(resid 23 and name n) 1.0 120.0 60.0 2  !Psi

!Y23
assign (resid 22 and name c)(resid 23 and name n)
        (resid 23 and name ca)(resid 23 and name c) 1.0 -120.0 40.0 2 !Phi
assign (resid 23 and name n)(resid 23 and name ca)
        (resid 23 and name c)(resid 24 and name n) 1.0 120.0 60.0 2  !Psi
assign (resid 23 and name n)(resid 23 and name ca)
        (resid 23 and name cb)(resid 23 and name cg) 1.0  -60.0 60.0  2    !Chi 1

!A26
assign (resid 25 and name c)(resid 26 and name n)
        (resid 26 and name ca)(resid 26 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 26 and name n)(resid 26 and name ca)
        (resid 26 and name c)(resid 27 and name n) 1.0 -40.0 30.0 2  !Psi
!C27
assign (resid 26 and name c)(resid 27 and name n)
        (resid 27 and name ca)(resid 27 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 27 and name n)(resid 27 and name ca)
        (resid 27 and name c)(resid 28 and name n) 1.0 -40.0 30.0 2  !Psi
assign (resid 27 and name n)(resid 27 and name ca)
        (resid 27 and name cb)(resid 27 and name sg) 1.0  -60.0 60.0  2    !Chi 1

!M28
assign (resid 27 and name c)(resid 28 and name n)
        (resid 28 and name ca)(resid 28 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 28 and name n)(resid 28 and name ca)
        (resid 28 and name c)(resid 29 and name n) 1.0 -40.0 30.0 2  !Psi
assign (resid 28 and name n)(resid 28 and name ca)
        (resid 28 and name cb)(resid 28 and name cg) 1.0  -60.0 60.0  2    !Chi 1

!L29
assign (resid 28 and name c)(resid 29 and name n)
        (resid 29 and name ca)(resid 29 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 29 and name n)(resid 29 and name ca)
        (resid 29 and name c)(resid 30 and name n) 1.0 -40.0 30.0 2  !Psi
assign (resid 29 and name n)(resid 29 and name ca)
        (resid 29 and name cb)(resid 29 and name cg) 1.0  -60.0 60.0  2    !Chi 1

!L30
assign (resid 29 and name c)(resid 30 and name n)
        (resid 30 and name ca)(resid 30 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 30 and name n)(resid 30 and name ca)
        (resid 30 and name c)(resid 31 and name n) 1.0 -40.0 30.0 2  !Psi
assign (resid 30 and name n)(resid 30 and name ca)
        (resid 30 and name cb)(resid 30 and name cg) 1.0  -60.0 60.0  2    !Chi 1

!C31
assign (resid 30 and name c)(resid 31 and name n)
        (resid 31 and name ca)(resid 31 and name c) 1.0 -60.0 30.0 2 !Phi
assign (resid 31 and name n)(resid 31 and name ca)
        (resid 31 and name c)(resid 32 and name n) 1.0 -40.0 30.0 2  !Psi

!A32
assign (resid 31 and name c)(resid 32 and name n)
        (resid 32 and name ca)(resid 32 and name c) 1.0 -60.0 30.0 2 !Phi 
assign (resid 32 and name n)(resid 32 and name ca)
        (resid 32 and name c)(resid 33 and name n) 1.0 -40.0 30.0 2  !Psi

!S33
assign (resid 32 and name c)(resid 33 and name n)
        (resid 33 and name ca)(resid 33 and name c) 1.0 -60.0 30.0 2 !Phi

!A34
assign (resid 33 and name c)(resid 34 and name n)
        (resid 34 and name ca)(resid 34 and name c) 1.0 -60.0 30.0 2 !Phi

!R35
assign (resid 34 and name c)(resid 35 and name n)
        (resid 35 and name ca)(resid 35 and name c) 1.0 -120.0 50.0 2 !Phi

!S36
assign (resid 35 and name c)(resid 36 and name n)
        (resid 36 and name ca)(resid 36 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 36 and name n)(resid 36 and name ca)
        (resid 36 and name cb)(resid 36 and name og) 1.0  180.0 60.0  2    !Chi 1

!D37
assign (resid 36 and name c)(resid 37 and name n)
        (resid 37 and name ca)(resid 37 and name c) 1.0 -100.0 80.0 2 !Phi

!T38
assign (resid 37 and name c)(resid 38 and name n)
        (resid 38 and name ca)(resid 38 and name c) 1.0 -120.0 40.0 2 !Phi

!I40
assign (resid 39 and name c)(resid 40 and name n)
        (resid 40 and name ca)(resid 40 and name c) 1.0 -100.0 80.0 2 !Phi

!E41
assign (resid 40 and name c)(resid 41 and name n)
        (resid 41 and name ca)(resid 41 and name c) 1.0 -120.0 40.0 2 !Phi

!L42
assign (resid 42 and name n)(resid 42 and name ca)
        (resid 42 and name cb)(resid 42 and name cg) 1.0  -60.0 60.0  2    !Chi 1

!V43
assign (resid 42 and name c)(resid 43 and name n)
        (resid 43 and name ca)(resid 43 and name c) 1.0 -120.0 40.0 2 !Phi

!H44

!K45
assign (resid 44 and name c)(resid 45 and name n)
        (resid 45 and name ca)(resid 45 and name c) 1.0 -100.0 80.0 2 !Phi

!R47
assign (resid 46 and name c)(resid 47 and name n)
        (resid 47 and name ca)(resid 47 and name c) 1.0 -60.0 30.0 2 !Phi

!C48
assign (resid 48 and name n)(resid 48 and name ca)
        (resid 48 and name cb)(resid 48 and name sg) 1.0  -60.0 60.0  2    !Chi 1

!K45
assign (resid 44 and name c)(resid 45 and name n)
        (resid 45 and name ca)(resid 45 and name c) 1.0 -100.0 80.0 2 !Phi

!R47
assign (resid 46 and name c)(resid 47 and name n)
        (resid 47 and name ca)(resid 47 and name c) 1.0 -60.0 30.0 2 !Phi

!C48
assign (resid 48 and name n)(resid 48 and name ca)
        (resid 48 and name cb)(resid 48 and name sg) 1.0  -60.0 60.0  2    !Chi 1






  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          1HT       LYS   1  -6.644  10.325  -6.437
    2   2H    LYS   1          2HT       LYS   1  -6.405  10.043  -8.113
    3   3H    LYS   1          3HT       LYS   1  -5.562   9.100  -6.953
    4    HA   LYS   1           HA       LYS   1  -8.228   8.866  -7.968
    5   1HB   LYS   1          2HB       LYS   1  -6.274   7.010  -6.588
    6   2HB   LYS   1          1HB       LYS   1  -7.773   6.508  -7.356
    7   1HG   LYS   1          2HG       LYS   1  -5.643   7.960  -8.884
    8   2HG   LYS   1          1HG       LYS   1  -5.598   6.211  -8.658
    9   1HD   LYS   1          2HD       LYS   1  -8.197   7.205  -9.546
   10   2HD   LYS   1          1HD       LYS   1  -6.892   7.529 -10.688
   11   1HE   LYS   1          2HE       LYS   1  -7.413   5.447 -11.408
   12   2HE   LYS   1          1HE       LYS   1  -6.329   4.979 -10.100
   13   1HZ   LYS   1          1HZ       LYS   1  -9.255   4.821 -10.235
   14   2HZ   LYS   1          2HZ       LYS   1  -8.530   5.050  -8.724
   15   3HZ   LYS   1          3HZ       LYS   1  -8.141   3.690  -9.651
   16    HA   PRO   2           HA       PRO   2 -10.407   9.218  -4.146
   17   1HB   PRO   2          2HB       PRO   2 -12.450   7.499  -4.544
   18   2HB   PRO   2          1HB       PRO   2 -12.319   9.028  -5.424
   19   1HG   PRO   2          2HG       PRO   2 -11.574   6.265  -6.312
   20   2HG   PRO   2          1HG       PRO   2 -12.437   7.531  -7.205
   21   1HD   PRO   2          2HD       PRO   2  -9.791   7.026  -7.555
   22   2HD   PRO   2          1HD       PRO   2 -10.495   8.643  -7.752
   23    H    ASP   3           H        ASP   3 -11.445   7.772  -2.396
   24    HA   ASP   3           HA       ASP   3  -9.441   6.044  -1.392
   25   1HB   ASP   3          2HB       ASP   3 -12.309   6.246  -0.454
   26   2HB   ASP   3          1HB       ASP   3 -10.932   5.655   0.470
   27    H    ALA   4           H        ALA   4  -9.073   3.978  -1.803
   28    HA   ALA   4           HA       ALA   4 -11.244   2.373  -2.986
   29   1HB   ALA   4          1HB       ALA   4  -8.376   1.646  -3.358
   30   2HB   ALA   4          2HB       ALA   4  -9.056   2.967  -4.309
   31   3HB   ALA   4          3HB       ALA   4  -9.759   1.352  -4.412
   32    HA   PRO   5           HA       PRO   5 -11.198   0.201   0.955
   33   1HB   PRO   5          2HB       PRO   5 -12.317  -1.831  -0.944
   34   2HB   PRO   5          1HB       PRO   5 -12.867  -1.389   0.679
   35   1HG   PRO   5          2HG       PRO   5 -14.129  -0.474  -1.487
   36   2HG   PRO   5          1HG       PRO   5 -13.906   0.549  -0.057
   37   1HD   PRO   5          2HD       PRO   5 -12.562   0.675  -2.696
   38   2HD   PRO   5          1HD       PRO   5 -12.864   1.967  -1.518
   39    H    CYS   6           H        CYS   6  -9.715  -1.144   1.845
   40    HA   CYS   6           HA       CYS   6  -7.748  -2.303   0.042
   41   1HB   CYS   6          2HB       CYS   6  -6.575  -2.774   2.336
   42   2HB   CYS   6          1HB       CYS   6  -6.593  -1.154   1.658
   43    H    ILE   7           H        ILE   7  -9.808  -3.730  -0.352
   44    HA   ILE   7           HA       ILE   7  -9.261  -6.232   1.078
   45    HB   ILE   7           HB       ILE   7 -11.977  -5.154   0.350
   46   1HG1  ILE   7          2HG1      ILE   7 -11.927  -6.151   2.974
   47   2HG1  ILE   7          1HG1      ILE   7 -10.419  -5.262   2.788
   48   1HG2  ILE   7          1HG2      ILE   7 -12.536  -7.280  -0.060
   49   2HG2  ILE   7          2HG2      ILE   7 -12.339  -7.557   1.671
   50   3HG2  ILE   7          3HG2      ILE   7 -11.002  -7.881   0.568
   51   1HD1  ILE   7          1HD1      ILE   7 -13.152  -4.158   2.197
   52   2HD1  ILE   7          2HD1      ILE   7 -11.624  -3.278   2.151
   53   3HD1  ILE   7          3HD1      ILE   7 -12.244  -3.889   3.684
   54    H    CYS   8           H        CYS   8  -7.899  -5.865  -1.045
   55    HA   CYS   8           HA       CYS   8  -9.232  -6.543  -3.494
   56   1HB   CYS   8          2HB       CYS   8  -6.520  -5.828  -2.609
   57   2HB   CYS   8          1HB       CYS   8  -6.563  -6.958  -3.954
   58    H    THR   9           H        THR   9  -7.218  -8.152  -1.124
   59    HA   THR   9           HA       THR   9  -8.351 -10.690  -1.551
   60    HB   THR   9           HB       THR   9  -7.071 -10.691  -3.608
   61    HG1  THR   9           1HG      THR   9  -5.739 -12.515  -3.161
   62   1HG2  THR   9          1HG2      THR   9  -5.125  -9.282  -2.146
   63   2HG2  THR   9          2HG2      THR   9  -5.104  -9.727  -3.852
   64   3HG2  THR   9          3HG2      THR   9  -4.403 -10.809  -2.652
   65    H    MET  10           H        MET  10  -6.306 -12.319  -0.782
   66    HA   MET  10           HA       MET  10  -5.350 -11.144   1.736
   67   1HB   MET  10          2HB       MET  10  -7.110 -13.398   1.372
   68   2HB   MET  10          1HB       MET  10  -5.606 -13.939   2.105
   69   1HG   MET  10          2HG       MET  10  -7.350 -11.717   3.144
   70   2HG   MET  10          1HG       MET  10  -7.306 -13.363   3.766
   71   1HE   MET  10          1HE       MET  10  -5.983 -11.507   6.604
   72   2HE   MET  10          2HE       MET  10  -5.671 -13.238   6.477
   73   3HE   MET  10          3HE       MET  10  -7.184 -12.568   5.866
   74    H    GLN  11           H        GLN  11  -4.310 -11.707  -1.054
   75    HA   GLN  11           HA       GLN  11  -2.285 -13.696  -0.796
   76   1HB   GLN  11          2HB       GLN  11  -3.424 -12.427  -2.902
   77   2HB   GLN  11          1HB       GLN  11  -1.925 -11.519  -2.767
   78   1HG   GLN  11          2HG       GLN  11  -1.182 -13.131  -4.150
   79   2HG   GLN  11          1HG       GLN  11  -0.930 -13.993  -2.632
   80   1HE2  GLN  11          1HE2      GLN  11  -3.082 -15.106  -1.886
   81   2HE2  GLN  11          2HE2      GLN  11  -3.843 -16.068  -3.102
   82    H    TYR  12           H        TYR  12  -1.878 -12.501   1.411
   83    HA   TYR  12           HA       TYR  12  -0.693 -10.286   2.053
   84   1HB   TYR  12          2HB       TYR  12  -0.722 -12.490   3.367
   85   2HB   TYR  12          1HB       TYR  12   0.864 -12.786   2.663
   86    HD1  TYR  12           1HD      TYR  12  -0.819  -9.804   4.192
   87    HD2  TYR  12           2HD      TYR  12   2.561 -12.390   4.162
   88    HE1  TYR  12           1HE      TYR  12   0.220  -8.460   5.971
   89    HE2  TYR  12           2HE      TYR  12   3.606 -11.053   5.941
   90    HH   TYR  12           HH       TYR  12   3.067  -8.212   6.666
   91    H    ASP  13           H        ASP  13   0.120  -9.214   0.198
   92    HA   ASP  13           HA       ASP  13   2.854 -10.024  -0.551
   93   1HB   ASP  13          2HB       ASP  13   0.611  -9.385  -2.195
   94   2HB   ASP  13          1HB       ASP  13   1.792  -8.091  -2.375
   95    HA   PRO  14           HA       PRO  14   2.734  -6.188   2.164
   96   1HB   PRO  14          2HB       PRO  14   5.188  -6.927   3.263
   97   2HB   PRO  14          1HB       PRO  14   3.600  -7.171   3.996
   98   1HG   PRO  14          2HG       PRO  14   5.279  -9.081   2.429
   99   2HG   PRO  14          1HG       PRO  14   4.254  -9.384   3.845
  100   1HD   PRO  14          2HD       PRO  14   3.442 -10.078   1.401
  101   2HD   PRO  14          1HD       PRO  14   2.296  -9.395   2.577
  102    H    VAL  15           H        VAL  15   3.090  -4.786   0.487
  103    HA   VAL  15           HA       VAL  15   5.757  -4.671  -0.695
  104    HB   VAL  15           HB       VAL  15   4.766  -3.176  -2.326
  105   1HG1  VAL  15          1HG1      VAL  15   4.036  -5.887  -1.955
  106   2HG1  VAL  15          2HG1      VAL  15   4.204  -4.994  -3.466
  107   3HG1  VAL  15          3HG1      VAL  15   2.650  -5.033  -2.633
  108   1HG2  VAL  15          1HG2      VAL  15   2.400  -2.625  -2.320
  109   2HG2  VAL  15          2HG2      VAL  15   3.171  -2.050  -0.843
  110   3HG2  VAL  15          3HG2      VAL  15   2.186  -3.513  -0.812
  111    H    CYS  16           H        CYS  16   7.143  -3.231  -0.126
  112    HA   CYS  16           HA       CYS  16   6.542  -1.336   1.923
  113   1HB   CYS  16          2HB       CYS  16   8.810  -2.674   0.971
  114   2HB   CYS  16          1HB       CYS  16   9.101  -0.967   0.730
  115    H    GLY  17           H        GLY  17   5.816   0.648   1.639
  116   1HA   GLY  17          2HA       GLY  17   6.260   1.861  -1.000
  117   2HA   GLY  17          1HA       GLY  17   4.843   2.161  -0.017
  118    H    SER  18           H        SER  18   6.931   3.859  -1.244
  119    HA   SER  18           HA       SER  18   8.751   4.997   0.363
  120   1HB   SER  18          2HB       SER  18   8.335   5.819  -1.900
  121   2HB   SER  18          1HB       SER  18   6.786   6.488  -1.393
  122    HG   SER  18           HG       SER  18   8.068   7.771   0.135
  123    H    ASP  19           H        ASP  19   8.441   5.024   2.420
  124    HA   ASP  19           HA       ASP  19   7.489   7.079   3.856
  125   1HB   ASP  19          2HB       ASP  19   5.233   6.907   3.254
  126   2HB   ASP  19          1HB       ASP  19   5.276   5.147   3.218
  127    H    GLY  20           H        GLY  20   8.018   3.710   3.489
  128   1HA   GLY  20          2HA       GLY  20   9.438   2.447   4.872
  129   2HA   GLY  20          1HA       GLY  20   9.120   3.573   6.187
  130    H    ILE  21           H        ILE  21   6.495   2.389   4.248
  131    HA   ILE  21           HA       ILE  21   5.708   0.692   6.537
  132    HB   ILE  21           HB       ILE  21   4.050   2.518   4.826
  133   1HG1  ILE  21          2HG1      ILE  21   3.405   3.501   6.848
  134   2HG1  ILE  21          1HG1      ILE  21   3.818   2.071   7.787
  135   1HG2  ILE  21          1HG2      ILE  21   2.051   1.446   5.986
  136   2HG2  ILE  21          2HG2      ILE  21   3.122   0.086   6.325
  137   3HG2  ILE  21          3HG2      ILE  21   2.784   0.546   4.657
  138   1HD1  ILE  21          1HD1      ILE  21   5.310   4.138   7.979
  139   2HD1  ILE  21          2HD1      ILE  21   5.930   3.665   6.396
  140   3HD1  ILE  21          3HD1      ILE  21   6.083   2.567   7.767
  141    H    THR  22           H        THR  22   5.454  -1.390   6.146
  142    HA   THR  22           HA       THR  22   5.476  -2.355   3.405
  143    HB   THR  22           HB       THR  22   5.256  -4.091   5.854
  144    HG1  THR  22           1HG      THR  22   7.347  -2.479   5.115
  145   1HG2  THR  22          1HG2      THR  22   6.781  -4.581   3.318
  146   2HG2  THR  22          2HG2      THR  22   5.097  -5.058   3.536
  147   3HG2  THR  22          3HG2      THR  22   6.349  -5.737   4.578
  148    H    TYR  23           H        TYR  23   3.529  -1.984   2.511
  149    HA   TYR  23           HA       TYR  23   1.076  -2.424   3.931
  150   1HB   TYR  23          2HB       TYR  23   1.519  -1.888   0.997
  151   2HB   TYR  23          1HB       TYR  23   0.023  -1.661   1.898
  152    HD1  TYR  23           1HD      TYR  23  -0.075   0.121   3.672
  153    HD2  TYR  23           2HD      TYR  23   3.207  -0.236   0.990
  154    HE1  TYR  23           1HE      TYR  23   0.630   2.408   4.234
  155    HE2  TYR  23           2HE      TYR  23   3.919   2.051   1.547
  156    HH   TYR  23           HH       TYR  23   3.278   3.989   2.543
  157    H    GLY  24           H        GLY  24  -0.014  -4.236   4.103
  158   1HA   GLY  24          2HA       GLY  24   0.694  -6.746   3.468
  159   2HA   GLY  24          1HA       GLY  24  -0.992  -6.257   3.531
  160    H    ASN  25           H        ASN  25  -0.588  -4.424   1.273
  161    HA   ASN  25           HA       ASN  25   0.304  -5.798  -0.997
  162   1HB   ASN  25          2HB       ASN  25  -2.128  -6.071  -1.981
  163   2HB   ASN  25          1HB       ASN  25  -1.369  -7.358  -1.052
  164   1HD2  ASN  25          1HD2      ASN  25  -2.902  -8.326   0.076
  165   2HD2  ASN  25          2HD2      ASN  25  -4.108  -7.536   1.023
  166    H    ALA  26           H        ALA  26  -0.117  -4.685  -2.977
  167    HA   ALA  26           HA       ALA  26   0.120  -1.961  -2.867
  168   1HB   ALA  26          1HB       ALA  26  -1.206  -3.329  -5.192
  169   2HB   ALA  26          2HB       ALA  26   0.515  -3.508  -4.850
  170   3HB   ALA  26          3HB       ALA  26  -0.152  -1.915  -5.203
  171    H    CYS  27           H        CYS  27  -2.730  -3.852  -2.583
  172    HA   CYS  27           HA       CYS  27  -4.520  -1.647  -3.126
  173   1HB   CYS  27          2HB       CYS  27  -4.899  -4.524  -2.357
  174   2HB   CYS  27          1HB       CYS  27  -6.235  -3.383  -2.241
  175    H    MET  28           H        MET  28  -3.457  -3.545  -0.309
  176    HA   MET  28           HA       MET  28  -4.878  -2.229   1.690
  177   1HB   MET  28          2HB       MET  28  -2.118  -3.369   1.524
  178   2HB   MET  28          1HB       MET  28  -2.594  -2.485   2.963
  179   1HG   MET  28          2HG       MET  28  -4.631  -4.371   2.335
  180   2HG   MET  28          1HG       MET  28  -3.071  -5.191   2.346
  181   1HE   MET  28          1HE       MET  28  -4.965  -2.945   5.887
  182   2HE   MET  28          2HE       MET  28  -5.905  -3.627   4.560
  183   3HE   MET  28          3HE       MET  28  -4.798  -2.289   4.259
  184    H    LEU  29           H        LEU  29  -2.133  -1.436  -0.230
  185    HA   LEU  29           HA       LEU  29  -1.222   0.930   0.893
  186   1HB   LEU  29          2HB       LEU  29  -0.896  -0.594  -1.478
  187   2HB   LEU  29          1HB       LEU  29  -1.189   1.054  -1.966
  188    HG   LEU  29           HG       LEU  29   1.130  -0.103  -0.511
  189   1HD1  LEU  29          1HD1      LEU  29   1.612   0.309  -2.732
  190   2HD1  LEU  29          2HD1      LEU  29   2.171   1.794  -1.959
  191   3HD1  LEU  29          3HD1      LEU  29   0.616   1.762  -2.787
  192   1HD2  LEU  29          1HD2      LEU  29   0.491   1.499   1.114
  193   2HD2  LEU  29          2HD2      LEU  29   0.072   2.688  -0.115
  194   3HD2  LEU  29          3HD2      LEU  29   1.760   2.252   0.154
  195    H    LEU  30           H        LEU  30  -3.595   0.313  -1.629
  196    HA   LEU  30           HA       LEU  30  -4.392   2.873  -2.213
  197   1HB   LEU  30          2HB       LEU  30  -5.765   0.227  -2.227
  198   2HB   LEU  30          1HB       LEU  30  -6.757   1.657  -2.397
  199    HG   LEU  30           HG       LEU  30  -4.394   1.080  -4.166
  200   1HD1  LEU  30          1HD1      LEU  30  -5.981   0.263  -5.824
  201   2HD1  LEU  30          2HD1      LEU  30  -7.299   0.439  -4.665
  202   3HD1  LEU  30          3HD1      LEU  30  -6.015  -0.734  -4.370
  203   1HD2  LEU  30          1HD2      LEU  30  -4.836   3.297  -4.497
  204   2HD2  LEU  30          2HD2      LEU  30  -6.542   3.136  -4.077
  205   3HD2  LEU  30          3HD2      LEU  30  -5.968   2.593  -5.654
  206    H    CYS  31           H        CYS  31  -5.010   0.913   0.618
  207    HA   CYS  31           HA       CYS  31  -7.047   2.655   1.692
  208   1HB   CYS  31          2HB       CYS  31  -5.798   0.190   2.470
  209   2HB   CYS  31          1HB       CYS  31  -5.712   1.322   3.810
  210    H    ALA  32           H        ALA  32  -3.584   2.338   1.864
  211    HA   ALA  32           HA       ALA  32  -3.125   4.209   3.932
  212   1HB   ALA  32          1HB       ALA  32  -1.278   3.348   1.717
  213   2HB   ALA  32          2HB       ALA  32  -1.498   2.500   3.247
  214   3HB   ALA  32          3HB       ALA  32  -0.809   4.124   3.230
  215    H    SER  33           H        SER  33  -2.680   4.484   0.422
  216    HA   SER  33           HA       SER  33  -2.207   7.252   0.397
  217   1HB   SER  33          2HB       SER  33  -2.717   5.152  -1.580
  218   2HB   SER  33          1HB       SER  33  -3.363   6.721  -2.061
  219    HG   SER  33           HG       SER  33  -1.183   6.431  -2.718
  220    H    ALA  34           H        ALA  34  -5.061   5.462   0.906
  221    HA   ALA  34           HA       ALA  34  -6.829   7.599   0.042
  222   1HB   ALA  34          1HB       ALA  34  -7.421   5.262  -0.411
  223   2HB   ALA  34          2HB       ALA  34  -8.639   6.086   0.563
  224   3HB   ALA  34          3HB       ALA  34  -7.512   4.964   1.324
  225    H    ARG  35           H        ARG  35  -5.763   6.115   3.082
  226    HA   ARG  35           HA       ARG  35  -6.729   8.476   4.494
  227   1HB   ARG  35          2HB       ARG  35  -7.803   6.973   6.239
  228   2HB   ARG  35          1HB       ARG  35  -8.662   7.156   4.716
  229   1HG   ARG  35          2HG       ARG  35  -8.787   4.875   5.248
  230   2HG   ARG  35          1HG       ARG  35  -7.557   5.001   3.989
  231   1HD   ARG  35          2HD       ARG  35  -6.891   3.495   5.825
  232   2HD   ARG  35          1HD       ARG  35  -5.798   4.865   5.635
  233    HE   ARG  35           HE       ARG  35  -7.892   5.251   7.588
  234   1HH1  ARG  35          1HH1      ARG  35  -4.643   4.143   7.002
  235   2HH1  ARG  35          2HH1      ARG  35  -4.139   4.342   8.647
  236   1HH2  ARG  35          1HH2      ARG  35  -7.237   5.521   9.757
  237   2HH2  ARG  35          2HH2      ARG  35  -5.614   5.121  10.214
  238    H    SER  36           H        SER  36  -4.069   7.726   4.035
  239    HA   SER  36           HA       SER  36  -3.151   6.565   6.553
  240   1HB   SER  36          2HB       SER  36  -2.178   5.738   4.439
  241   2HB   SER  36          1HB       SER  36  -1.560   7.351   4.103
  242    HG   SER  36           HG       SER  36  -0.659   5.443   5.896
  243    H    ASP  37           H        ASP  37  -1.600   9.093   4.641
  244    HA   ASP  37           HA       ASP  37  -2.122  11.249   6.358
  245   1HB   ASP  37          2HB       ASP  37   0.400  11.333   7.148
  246   2HB   ASP  37          1HB       ASP  37  -0.811  10.457   8.078
  247    H    THR  38           H        THR  38   0.146   9.701   4.172
  248    HA   THR  38           HA       THR  38   0.214  12.121   2.554
  249    HB   THR  38           HB       THR  38   2.859  11.032   2.551
  250    HG1  THR  38           1HG      THR  38   3.431  11.110   4.623
  251   1HG2  THR  38          1HG2      THR  38   3.438  13.172   2.456
  252   2HG2  THR  38          2HG2      THR  38   2.557  13.564   3.934
  253   3HG2  THR  38          3HG2      THR  38   1.711  13.518   2.388
  254    HA   PRO  39           HA       PRO  39  -0.117   9.281  -0.782
  255   1HB   PRO  39          2HB       PRO  39   1.325  10.542  -2.726
  256   2HB   PRO  39          1HB       PRO  39  -0.289  11.056  -2.221
  257   1HG   PRO  39          2HG       PRO  39   2.382  12.142  -1.416
  258   2HG   PRO  39          1HG       PRO  39   0.900  13.020  -1.839
  259   1HD   PRO  39          2HD       PRO  39   1.660  12.651   0.719
  260   2HD   PRO  39          1HD       PRO  39  -0.050  12.669   0.240
  261    H    ILE  40           H        ILE  40   1.226   7.679   0.409
  262    HA   ILE  40           HA       ILE  40   3.984   7.466   0.228
  263    HB   ILE  40           HB       ILE  40   3.747   5.154   0.751
  264   1HG1  ILE  40          2HG1      ILE  40   2.205   4.454  -0.968
  265   2HG1  ILE  40          1HG1      ILE  40   1.543   4.011   0.602
  266   1HG2  ILE  40          1HG2      ILE  40   3.140   5.927   2.753
  267   2HG2  ILE  40          2HG2      ILE  40   1.492   5.490   2.302
  268   3HG2  ILE  40          3HG2      ILE  40   2.069   7.138   2.050
  269   1HD1  ILE  40          1HD1      ILE  40   0.106   6.009   0.522
  270   2HD1  ILE  40          2HD1      ILE  40  -0.207   4.868  -0.787
  271   3HD1  ILE  40          3HD1      ILE  40   0.713   6.341  -1.100
  272    H    GLU  41           H        GLU  41   5.147   5.695  -1.080
  273    HA   GLU  41           HA       GLU  41   4.017   5.322  -3.749
  274   1HB   GLU  41          2HB       GLU  41   6.342   7.090  -3.145
  275   2HB   GLU  41          1HB       GLU  41   6.372   6.143  -4.627
  276   1HG   GLU  41          2HG       GLU  41   4.404   7.181  -5.436
  277   2HG   GLU  41          1HG       GLU  41   4.090   7.943  -3.878
  278    H    LEU  42           H        LEU  42   4.103   3.142  -3.708
  279    HA   LEU  42           HA       LEU  42   5.661   1.356  -2.536
  280   1HB   LEU  42          2HB       LEU  42   4.182   1.363  -4.941
  281   2HB   LEU  42          1HB       LEU  42   5.683   0.527  -5.255
  282    HG   LEU  42           HG       LEU  42   3.565  -0.780  -4.422
  283   1HD1  LEU  42          1HD1      LEU  42   5.846  -1.686  -2.852
  284   2HD1  LEU  42          2HD1      LEU  42   6.253  -1.302  -4.525
  285   3HD1  LEU  42          3HD1      LEU  42   4.988  -2.479  -4.173
  286   1HD2  LEU  42          1HD2      LEU  42   3.733   0.884  -2.319
  287   2HD2  LEU  42          2HD2      LEU  42   4.721  -0.450  -1.729
  288   3HD2  LEU  42          3HD2      LEU  42   3.054  -0.742  -2.222
  289    H    VAL  43           H        VAL  43   7.616   0.309  -2.800
  290    HA   VAL  43           HA       VAL  43   9.543   1.477  -4.666
  291    HB   VAL  43           HB       VAL  43  10.348   1.184  -1.793
  292   1HG1  VAL  43          1HG1      VAL  43  11.483   2.377  -4.269
  293   2HG1  VAL  43          2HG1      VAL  43  12.271   1.433  -3.005
  294   3HG1  VAL  43          3HG1      VAL  43  11.876   3.128  -2.721
  295   1HG2  VAL  43          1HG2      VAL  43   8.978   3.509  -3.100
  296   2HG2  VAL  43          2HG2      VAL  43  10.053   3.721  -1.716
  297   3HG2  VAL  43          3HG2      VAL  43   8.605   2.725  -1.564
  298    H    HIS  44           H        HIS  44   8.821  -1.019  -2.277
  299    HA   HIS  44           HA       HIS  44  10.279  -2.922  -3.893
  300   1HB   HIS  44          2HB       HIS  44  11.022  -3.587  -1.257
  301   2HB   HIS  44          1HB       HIS  44  12.070  -3.075  -2.575
  302    HD1  HIS  44           1HD      HIS  44  12.536  -0.437  -2.707
  303    HD2  HIS  44           2HD      HIS  44  10.771  -1.813   0.792
  304    HE1  HIS  44           1HE      HIS  44  12.837   1.416  -1.034
  305    HE2  HIS  44           2HE      HIS  44  11.755   0.568   1.076
  306    H    LYS  45           H        LYS  45   9.018  -4.601  -4.175
  307    HA   LYS  45           HA       LYS  45   6.646  -5.007  -2.667
  308   1HB   LYS  45          2HB       LYS  45   8.032  -6.731  -4.722
  309   2HB   LYS  45          1HB       LYS  45   6.454  -7.097  -4.039
  310   1HG   LYS  45          2HG       LYS  45   5.851  -4.700  -4.863
  311   2HG   LYS  45          1HG       LYS  45   7.247  -4.925  -5.921
  312   1HD   LYS  45          2HD       LYS  45   6.256  -6.661  -7.079
  313   2HD   LYS  45          1HD       LYS  45   5.169  -7.066  -5.748
  314   1HE   LYS  45          2HE       LYS  45   3.698  -6.064  -7.189
  315   2HE   LYS  45          1HE       LYS  45   4.206  -4.670  -6.235
  316   1HZ   LYS  45          1HZ       LYS  45   4.774  -5.325  -9.015
  317   2HZ   LYS  45          2HZ       LYS  45   6.028  -4.599  -8.145
  318   3HZ   LYS  45          3HZ       LYS  45   4.535  -3.817  -8.285
  319    H    GLY  46           H        GLY  46   7.995  -5.063  -0.573
  320   1HA   GLY  46          2HA       GLY  46   7.832  -7.636   0.529
  321   2HA   GLY  46          1HA       GLY  46   9.515  -7.313   0.130
  322    H    ARG  47           H        ARG  47   9.883  -7.467   2.460
  323    HA   ARG  47           HA       ARG  47   8.818  -5.266   4.038
  324   1HB   ARG  47          2HB       ARG  47  10.832  -7.265   5.032
  325   2HB   ARG  47          1HB       ARG  47   9.631  -6.368   5.948
  326   1HG   ARG  47          2HG       ARG  47   7.857  -7.707   4.878
  327   2HG   ARG  47          1HG       ARG  47   9.102  -8.645   4.050
  328   1HD   ARG  47          2HD       ARG  47   9.845  -8.640   6.741
  329   2HD   ARG  47          1HD       ARG  47   8.102  -8.891   6.746
  330    HE   ARG  47           HE       ARG  47  10.120 -10.651   5.571
  331   1HH1  ARG  47          1HH1      ARG  47   6.750 -10.003   6.242
  332   2HH1  ARG  47          2HH1      ARG  47   6.258 -11.639   5.966
  333   1HH2  ARG  47          1HH2      ARG  47   9.465 -12.796   5.205
  334   2HH2  ARG  47          2HH2      ARG  47   7.795 -13.223   5.380
  335    H    CYS  48           H        CYS  48  10.162  -4.091   2.168
  336    HA   CYS  48           HA       CYS  48  11.991  -2.829   1.597
  337   1HB   CYS  48          2HB       CYS  48  11.477  -2.448   4.500
  338   2HB   CYS  48          1HB       CYS  48  12.877  -1.653   3.789
  Start of MODEL    2
    1   1H    LYS   1          1HT       LYS   1  -9.632   4.520 -11.407
    2   2H    LYS   1          2HT       LYS   1 -10.828   5.678 -10.987
    3   3H    LYS   1          3HT       LYS   1  -9.721   5.115  -9.802
    4    HA   LYS   1           HA       LYS   1  -8.255   6.083 -11.935
    5   1HB   LYS   1          2HB       LYS   1 -10.729   7.573 -11.283
    6   2HB   LYS   1          1HB       LYS   1  -9.261   8.535 -11.380
    7   1HG   LYS   1          2HG       LYS   1  -9.729   6.633 -13.587
    8   2HG   LYS   1          1HG       LYS   1 -10.821   8.016 -13.486
    9   1HD   LYS   1          2HD       LYS   1  -8.556   9.336 -13.163
   10   2HD   LYS   1          1HD       LYS   1  -7.889   7.936 -14.005
   11   1HE   LYS   1          2HE       LYS   1  -8.377   9.301 -15.781
   12   2HE   LYS   1          1HE       LYS   1  -9.875   8.379 -15.658
   13   1HZ   LYS   1          1HZ       LYS   1 -10.256  10.494 -13.984
   14   2HZ   LYS   1          2HZ       LYS   1 -10.878  10.343 -15.549
   15   3HZ   LYS   1          3HZ       LYS   1  -9.431  11.179 -15.293
   16    HA   PRO   2           HA       PRO   2  -7.299   8.488  -7.894
   17   1HB   PRO   2          2HB       PRO   2  -9.085   8.427  -5.868
   18   2HB   PRO   2          1HB       PRO   2  -9.181   9.603  -7.183
   19   1HG   PRO   2          2HG       PRO   2 -10.716   7.066  -6.793
   20   2HG   PRO   2          1HG       PRO   2 -11.286   8.645  -7.362
   21   1HD   PRO   2          2HD       PRO   2 -10.728   6.561  -9.031
   22   2HD   PRO   2          1HD       PRO   2 -10.583   8.263  -9.513
   23    H    ASP   3           H        ASP   3  -7.343   7.867  -5.266
   24    HA   ASP   3           HA       ASP   3  -6.831   4.970  -5.153
   25   1HB   ASP   3          2HB       ASP   3  -4.993   5.714  -3.435
   26   2HB   ASP   3          1HB       ASP   3  -4.653   5.755  -5.163
   27    H    ALA   4           H        ALA   4  -7.958   3.974  -3.611
   28    HA   ALA   4           HA       ALA   4  -8.303   5.032  -0.998
   29   1HB   ALA   4          1HB       ALA   4 -10.135   5.978  -2.831
   30   2HB   ALA   4          2HB       ALA   4 -10.308   5.986  -1.076
   31   3HB   ALA   4          3HB       ALA   4 -10.985   4.661  -2.023
   32    HA   PRO   5           HA       PRO   5 -10.770   0.836  -1.501
   33   1HB   PRO   5          2HB       PRO   5  -9.929   0.074  -4.240
   34   2HB   PRO   5          1HB       PRO   5 -11.510  -0.077  -3.466
   35   1HG   PRO   5          2HG       PRO   5 -11.061   1.774  -5.343
   36   2HG   PRO   5          1HG       PRO   5 -12.104   2.107  -3.947
   37   1HD   PRO   5          2HD       PRO   5  -9.282   2.962  -4.454
   38   2HD   PRO   5          1HD       PRO   5 -10.618   3.865  -3.707
   39    H    CYS   6           H        CYS   6  -9.940  -1.446  -1.573
   40    HA   CYS   6           HA       CYS   6  -7.168  -1.892  -2.105
   41   1HB   CYS   6          2HB       CYS   6  -6.494  -2.307   0.245
   42   2HB   CYS   6          1HB       CYS   6  -6.885  -0.617  -0.060
   43    H    ILE   7           H        ILE   7  -8.558  -3.512  -3.274
   44    HA   ILE   7           HA       ILE   7  -8.801  -5.890  -1.583
   45    HB   ILE   7           HB       ILE   7 -10.889  -4.952  -3.535
   46   1HG1  ILE   7          2HG1      ILE   7 -10.905  -5.450  -0.551
   47   2HG1  ILE   7          1HG1      ILE   7 -11.132  -3.908  -1.371
   48   1HG2  ILE   7          1HG2      ILE   7 -10.157  -7.618  -2.625
   49   2HG2  ILE   7          2HG2      ILE   7 -11.217  -7.127  -3.945
   50   3HG2  ILE   7          3HG2      ILE   7 -11.846  -7.226  -2.301
   51   1HD1  ILE   7          1HD1      ILE   7 -13.107  -5.545  -2.418
   52   2HD1  ILE   7          2HD1      ILE   7 -13.308  -4.272  -1.214
   53   3HD1  ILE   7          3HD1      ILE   7 -13.058  -5.941  -0.700
   54    H    CYS   8           H        CYS   8  -6.613  -5.898  -2.834
   55    HA   CYS   8           HA       CYS   8  -6.854  -6.866  -5.563
   56   1HB   CYS   8          2HB       CYS   8  -4.554  -6.246  -3.725
   57   2HB   CYS   8          1HB       CYS   8  -4.298  -7.166  -5.201
   58    H    THR   9           H        THR   9  -6.034  -7.995  -2.358
   59    HA   THR   9           HA       THR   9  -6.931 -10.624  -2.810
   60    HB   THR   9           HB       THR   9  -4.931 -10.983  -4.043
   61    HG1  THR   9           1HG      THR   9  -4.343 -12.706  -2.984
   62   1HG2  THR   9          1HG2      THR   9  -3.619  -9.409  -1.906
   63   2HG2  THR   9          2HG2      THR   9  -3.386  -9.361  -3.654
   64   3HG2  THR   9          3HG2      THR   9  -2.700 -10.683  -2.709
   65    H    MET  10           H        MET  10  -7.132 -11.752  -0.902
   66    HA   MET  10           HA       MET  10  -6.467 -10.234   1.509
   67   1HB   MET  10          2HB       MET  10  -8.659 -11.925   0.736
   68   2HB   MET  10          1HB       MET  10  -7.886 -12.601   2.163
   69   1HG   MET  10          2HG       MET  10  -8.292  -9.723   2.333
   70   2HG   MET  10          1HG       MET  10  -9.790 -10.632   2.140
   71   1HE   MET  10          1HE       MET  10  -9.304 -13.402   4.572
   72   2HE   MET  10          2HE       MET  10 -10.215 -12.699   3.236
   73   3HE   MET  10          3HE       MET  10 -10.655 -12.319   4.901
   74    H    GLN  11           H        GLN  11  -4.554 -11.719  -0.183
   75    HA   GLN  11           HA       GLN  11  -3.816 -14.038   1.385
   76   1HB   GLN  11          2HB       GLN  11  -2.799 -12.734  -1.106
   77   2HB   GLN  11          1HB       GLN  11  -1.768 -13.873  -0.251
   78   1HG   GLN  11          2HG       GLN  11  -3.331 -15.635  -0.542
   79   2HG   GLN  11          1HG       GLN  11  -4.567 -14.523  -1.128
   80   1HE2  GLN  11          1HE2      GLN  11  -4.847 -15.585  -3.064
   81   2HE2  GLN  11          2HE2      GLN  11  -3.658 -15.576  -4.317
   82    H    TYR  12           H        TYR  12  -1.158 -12.141   0.267
   83    HA   TYR  12           HA       TYR  12  -0.653 -10.545   2.496
   84   1HB   TYR  12          2HB       TYR  12  -0.589 -12.924   3.503
   85   2HB   TYR  12          1HB       TYR  12   0.957 -13.077   2.677
   86    HD1  TYR  12           1HD      TYR  12   2.399 -13.232   4.538
   87    HD2  TYR  12           2HD      TYR  12  -0.359 -10.003   4.279
   88    HE1  TYR  12           1HE      TYR  12   3.519 -12.132   6.430
   89    HE2  TYR  12           2HE      TYR  12   0.754  -8.894   6.170
   90    HH   TYR  12           HH       TYR  12   2.183  -9.640   8.160
   91    H    ASP  13           H        ASP  13  -0.134  -9.493   0.357
   92    HA   ASP  13           HA       ASP  13   2.604 -10.135  -0.513
   93   1HB   ASP  13          2HB       ASP  13   0.269  -9.604  -1.998
   94   2HB   ASP  13          1HB       ASP  13   1.270  -8.164  -2.155
   95    HA   PRO  14           HA       PRO  14   2.735  -6.326   2.166
   96   1HB   PRO  14          2HB       PRO  14   5.143  -6.995   3.295
   97   2HB   PRO  14          1HB       PRO  14   3.568  -7.431   3.967
   98   1HG   PRO  14          2HG       PRO  14   5.431  -9.069   2.292
   99   2HG   PRO  14          1HG       PRO  14   4.490  -9.549   3.718
  100   1HD   PRO  14          2HD       PRO  14   3.688 -10.172   1.232
  101   2HD   PRO  14          1HD       PRO  14   2.522  -9.752   2.504
  102    H    VAL  15           H        VAL  15   3.095  -4.873   0.571
  103    HA   VAL  15           HA       VAL  15   5.753  -4.758  -0.665
  104    HB   VAL  15           HB       VAL  15   4.700  -3.291  -2.313
  105   1HG1  VAL  15          1HG1      VAL  15   4.737  -5.719  -2.687
  106   2HG1  VAL  15          2HG1      VAL  15   3.344  -4.951  -3.447
  107   3HG1  VAL  15          3HG1      VAL  15   3.146  -5.841  -1.938
  108   1HG2  VAL  15          1HG2      VAL  15   2.204  -3.097  -2.323
  109   2HG2  VAL  15          2HG2      VAL  15   3.009  -2.212  -1.026
  110   3HG2  VAL  15          3HG2      VAL  15   2.215  -3.750  -0.685
  111    H    CYS  16           H        CYS  16   7.085  -3.257  -0.118
  112    HA   CYS  16           HA       CYS  16   6.406  -1.348   1.900
  113   1HB   CYS  16          2HB       CYS  16   8.720  -2.621   0.962
  114   2HB   CYS  16          1HB       CYS  16   8.961  -0.909   0.698
  115    H    GLY  17           H        GLY  17   5.637   0.634   1.576
  116   1HA   GLY  17          2HA       GLY  17   5.925   1.742  -1.132
  117   2HA   GLY  17          1HA       GLY  17   4.572   2.068  -0.063
  118    H    SER  18           H        SER  18   6.509   3.768  -1.483
  119    HA   SER  18           HA       SER  18   8.417   4.985   0.011
  120   1HB   SER  18          2HB       SER  18   8.084   5.723  -2.233
  121   2HB   SER  18          1HB       SER  18   6.421   6.199  -1.900
  122    HG   SER  18           HG       SER  18   8.781   7.537  -1.401
  123    H    ASP  19           H        ASP  19   8.111   5.126   2.077
  124    HA   ASP  19           HA       ASP  19   7.162   7.307   3.359
  125   1HB   ASP  19          2HB       ASP  19   4.890   6.804   2.632
  126   2HB   ASP  19          1HB       ASP  19   5.013   5.169   3.273
  127    H    GLY  20           H        GLY  20   7.780   3.932   3.278
  128   1HA   GLY  20          2HA       GLY  20   9.329   2.889   4.729
  129   2HA   GLY  20          1HA       GLY  20   8.914   4.066   5.971
  130    H    ILE  21           H        ILE  21   6.385   2.579   4.114
  131    HA   ILE  21           HA       ILE  21   5.730   0.943   6.494
  132    HB   ILE  21           HB       ILE  21   3.960   2.614   4.746
  133   1HG1  ILE  21          2HG1      ILE  21   3.274   3.613   6.719
  134   2HG1  ILE  21          1HG1      ILE  21   3.618   2.186   7.686
  135   1HG2  ILE  21          1HG2      ILE  21   1.992   1.458   5.773
  136   2HG2  ILE  21          2HG2      ILE  21   3.095   0.199   6.327
  137   3HG2  ILE  21          3HG2      ILE  21   2.882   0.487   4.600
  138   1HD1  ILE  21          1HD1      ILE  21   5.788   3.846   6.455
  139   2HD1  ILE  21          2HD1      ILE  21   5.910   2.668   7.763
  140   3HD1  ILE  21          3HD1      ILE  21   5.093   4.206   8.035
  141    H    THR  22           H        THR  22   5.252  -1.151   6.235
  142    HA   THR  22           HA       THR  22   5.444  -2.261   3.537
  143    HB   THR  22           HB       THR  22   5.176  -4.046   5.897
  144    HG1  THR  22           1HG      THR  22   7.054  -3.535   6.754
  145   1HG2  THR  22          1HG2      THR  22   7.033  -4.028   3.534
  146   2HG2  THR  22          2HG2      THR  22   5.567  -4.995   3.704
  147   3HG2  THR  22          3HG2      THR  22   6.945  -5.285   4.768
  148    H    TYR  23           H        TYR  23   3.524  -2.043   2.596
  149    HA   TYR  23           HA       TYR  23   1.052  -2.479   4.002
  150   1HB   TYR  23          2HB       TYR  23   1.544  -1.989   1.067
  151   2HB   TYR  23          1HB       TYR  23   0.025  -1.776   1.936
  152    HD1  TYR  23           1HD      TYR  23  -0.141   0.012   3.687
  153    HD2  TYR  23           2HD      TYR  23   3.220  -0.311   1.099
  154    HE1  TYR  23           1HE      TYR  23   0.533   2.299   4.283
  155    HE2  TYR  23           2HE      TYR  23   3.900   1.976   1.681
  156    HH   TYR  23           HH       TYR  23   2.368   3.749   4.252
  157    H    GLY  24           H        GLY  24   0.045  -4.320   4.224
  158   1HA   GLY  24          2HA       GLY  24   0.877  -6.808   3.570
  159   2HA   GLY  24          1HA       GLY  24  -0.825  -6.402   3.738
  160    H    ASN  25           H        ASN  25  -0.632  -4.534   1.465
  161    HA   ASN  25           HA       ASN  25   0.089  -6.055  -0.835
  162   1HB   ASN  25          2HB       ASN  25  -2.845  -5.809  -0.146
  163   2HB   ASN  25          1HB       ASN  25  -2.256  -6.216  -1.755
  164   1HD2  ASN  25          1HD2      ASN  25  -3.735  -7.585   0.588
  165   2HD2  ASN  25          2HD2      ASN  25  -2.981  -9.136   0.658
  166    H    ALA  26           H        ALA  26   0.039  -4.826  -2.733
  167    HA   ALA  26           HA       ALA  26   0.392  -2.102  -2.562
  168   1HB   ALA  26          1HB       ALA  26   1.172  -3.056  -4.527
  169   2HB   ALA  26          2HB       ALA  26  -0.237  -2.150  -5.077
  170   3HB   ALA  26          3HB       ALA  26  -0.346  -3.895  -4.844
  171    H    CYS  27           H        CYS  27  -2.518  -3.907  -2.680
  172    HA   CYS  27           HA       CYS  27  -4.258  -1.720  -3.368
  173   1HB   CYS  27          2HB       CYS  27  -4.540  -4.586  -2.833
  174   2HB   CYS  27          1HB       CYS  27  -5.842  -3.618  -2.153
  175    H    MET  28           H        MET  28  -3.483  -3.610  -0.470
  176    HA   MET  28           HA       MET  28  -4.962  -2.267   1.430
  177   1HB   MET  28          2HB       MET  28  -2.104  -3.253   1.584
  178   2HB   MET  28          1HB       MET  28  -3.065  -2.793   2.976
  179   1HG   MET  28          2HG       MET  28  -4.439  -4.714   1.322
  180   2HG   MET  28          1HG       MET  28  -2.871  -5.309   1.861
  181   1HE   MET  28          1HE       MET  28  -2.808  -6.687   4.269
  182   2HE   MET  28          2HE       MET  28  -3.084  -5.565   5.602
  183   3HE   MET  28          3HE       MET  28  -2.059  -5.090   4.248
  184    H    LEU  29           H        LEU  29  -1.979  -1.511  -0.171
  185    HA   LEU  29           HA       LEU  29  -1.184   0.840   1.044
  186   1HB   LEU  29          2HB       LEU  29  -0.589  -0.635  -1.271
  187   2HB   LEU  29          1HB       LEU  29  -0.924   0.987  -1.814
  188    HG   LEU  29           HG       LEU  29   1.272   0.006  -0.056
  189   1HD1  LEU  29          1HD1      LEU  29   1.459   2.229  -2.015
  190   2HD1  LEU  29          2HD1      LEU  29   1.267   0.586  -2.623
  191   3HD1  LEU  29          3HD1      LEU  29   2.644   0.992  -1.597
  192   1HD2  LEU  29          1HD2      LEU  29   1.697   2.477   0.447
  193   2HD2  LEU  29          2HD2      LEU  29   0.422   1.680   1.362
  194   3HD2  LEU  29          3HD2      LEU  29   0.008   2.730   0.013
  195    H    LEU  30           H        LEU  30  -3.187   0.393  -1.818
  196    HA   LEU  30           HA       LEU  30  -3.903   3.006  -2.279
  197   1HB   LEU  30          2HB       LEU  30  -5.235   0.371  -2.723
  198   2HB   LEU  30          1HB       LEU  30  -6.189   1.821  -2.962
  199    HG   LEU  30           HG       LEU  30  -3.580   1.265  -4.364
  200   1HD1  LEU  30          1HD1      LEU  30  -6.295   1.124  -5.622
  201   2HD1  LEU  30          2HD1      LEU  30  -5.550  -0.288  -4.874
  202   3HD1  LEU  30          3HD1      LEU  30  -4.755   0.514  -6.229
  203   1HD2  LEU  30          1HD2      LEU  30  -3.719   3.485  -4.686
  204   2HD2  LEU  30          2HD2      LEU  30  -5.432   3.543  -4.268
  205   3HD2  LEU  30          3HD2      LEU  30  -4.935   3.048  -5.886
  206    H    CYS  31           H        CYS  31  -4.983   0.754   0.166
  207    HA   CYS  31           HA       CYS  31  -7.120   2.437   1.122
  208   1HB   CYS  31          2HB       CYS  31  -6.102  -0.205   1.670
  209   2HB   CYS  31          1HB       CYS  31  -6.293   0.681   3.179
  210    H    ALA  32           H        ALA  32  -3.738   1.959   1.717
  211    HA   ALA  32           HA       ALA  32  -3.499   3.389   4.141
  212   1HB   ALA  32          1HB       ALA  32  -1.588   2.507   2.025
  213   2HB   ALA  32          2HB       ALA  32  -1.676   2.033   3.721
  214   3HB   ALA  32          3HB       ALA  32  -1.057   3.625   3.281
  215    H    SER  33           H        SER  33  -2.631   4.303   0.814
  216    HA   SER  33           HA       SER  33  -2.071   6.974   1.272
  217   1HB   SER  33          2HB       SER  33  -2.748   5.319  -1.046
  218   2HB   SER  33          1HB       SER  33  -3.268   6.995  -1.223
  219    HG   SER  33           HG       SER  33  -1.242   7.633  -1.278
  220    H    ALA  34           H        ALA  34  -5.133   5.333   1.077
  221    HA   ALA  34           HA       ALA  34  -6.760   7.620   0.665
  222   1HB   ALA  34          1HB       ALA  34  -8.038   5.427   2.094
  223   2HB   ALA  34          2HB       ALA  34  -7.167   4.916   0.647
  224   3HB   ALA  34          3HB       ALA  34  -8.426   6.145   0.531
  225    H    ARG  35           H        ARG  35  -5.641   5.991   3.609
  226    HA   ARG  35           HA       ARG  35  -6.662   8.292   5.132
  227   1HB   ARG  35          2HB       ARG  35  -7.187   6.586   6.988
  228   2HB   ARG  35          1HB       ARG  35  -8.304   6.715   5.636
  229   1HG   ARG  35          2HG       ARG  35  -8.131   4.463   5.711
  230   2HG   ARG  35          1HG       ARG  35  -6.740   4.786   4.677
  231   1HD   ARG  35          2HD       ARG  35  -6.363   3.195   6.610
  232   2HD   ARG  35          1HD       ARG  35  -5.225   4.533   6.462
  233    HE   ARG  35           HE       ARG  35  -6.023   5.398   8.441
  234   1HH1  ARG  35          1HH1      ARG  35  -8.109   2.839   7.339
  235   2HH1  ARG  35          2HH1      ARG  35  -8.996   2.747   8.824
  236   1HH2  ARG  35          1HH2      ARG  35  -7.183   5.285  10.403
  237   2HH2  ARG  35          2HH2      ARG  35  -8.471   4.141  10.564
  238    H    SER  36           H        SER  36  -3.963   7.779   4.254
  239    HA   SER  36           HA       SER  36  -2.563   6.886   6.640
  240   1HB   SER  36          2HB       SER  36  -1.752   6.130   4.470
  241   2HB   SER  36          1HB       SER  36  -1.520   7.794   3.947
  242    HG   SER  36           HG       SER  36  -0.156   7.780   6.054
  243    H    ASP  37           H        ASP  37  -1.228   9.434   4.679
  244    HA   ASP  37           HA       ASP  37  -1.982  11.683   6.144
  245   1HB   ASP  37          2HB       ASP  37  -0.072  12.066   7.585
  246   2HB   ASP  37          1HB       ASP  37  -0.790  10.512   7.997
  247    H    THR  38           H        THR  38   0.521  10.008   4.362
  248    HA   THR  38           HA       THR  38   0.903  12.407   2.721
  249    HB   THR  38           HB       THR  38   3.108  10.701   3.890
  250    HG1  THR  38           1HG      THR  38   3.738  12.614   4.835
  251   1HG2  THR  38          1HG2      THR  38   3.311  11.541   1.401
  252   2HG2  THR  38          2HG2      THR  38   4.671  11.611   2.521
  253   3HG2  THR  38          3HG2      THR  38   3.715  13.059   2.204
  254    HA   PRO  39           HA       PRO  39   0.131   9.752  -0.689
  255   1HB   PRO  39          2HB       PRO  39   1.997  10.850  -2.454
  256   2HB   PRO  39          1HB       PRO  39   0.340  11.413  -2.216
  257   1HG   PRO  39          2HG       PRO  39   2.884  12.456  -1.052
  258   2HG   PRO  39          1HG       PRO  39   1.453  13.344  -1.607
  259   1HD   PRO  39          2HD       PRO  39   1.920  12.969   0.998
  260   2HD   PRO  39          1HD       PRO  39   0.269  12.897   0.345
  261    H    ILE  40           H        ILE  40   0.945   7.799   0.176
  262    HA   ILE  40           HA       ILE  40   3.742   7.167   0.035
  263    HB   ILE  40           HB       ILE  40   3.117   4.987   0.837
  264   1HG1  ILE  40          2HG1      ILE  40   0.439   5.777  -0.203
  265   2HG1  ILE  40          1HG1      ILE  40   1.267   4.228  -0.300
  266   1HG2  ILE  40          1HG2      ILE  40   1.276   6.924   2.218
  267   2HG2  ILE  40          2HG2      ILE  40   3.030   6.983   2.382
  268   3HG2  ILE  40          3HG2      ILE  40   2.143   5.556   2.918
  269   1HD1  ILE  40          1HD1      ILE  40  -0.728   4.114   1.095
  270   2HD1  ILE  40          2HD1      ILE  40  -0.056   5.350   2.158
  271   3HD1  ILE  40          3HD1      ILE  40   0.733   3.778   2.024
  272    H    GLU  41           H        GLU  41   4.703   5.670  -1.396
  273    HA   GLU  41           HA       GLU  41   3.104   4.640  -3.596
  274   1HB   GLU  41          2HB       GLU  41   4.735   5.665  -5.270
  275   2HB   GLU  41          1HB       GLU  41   3.539   6.745  -4.554
  276   1HG   GLU  41          2HG       GLU  41   5.240   7.411  -2.889
  277   2HG   GLU  41          1HG       GLU  41   6.418   6.459  -3.789
  278    H    LEU  42           H        LEU  42   3.690   2.686  -3.797
  279    HA   LEU  42           HA       LEU  42   5.378   1.066  -2.730
  280   1HB   LEU  42          2HB       LEU  42   4.260   1.154  -5.348
  281   2HB   LEU  42          1HB       LEU  42   5.847   0.434  -5.418
  282    HG   LEU  42           HG       LEU  42   4.147  -1.280  -5.155
  283   1HD1  LEU  42          1HD1      LEU  42   6.444  -1.011  -3.656
  284   2HD1  LEU  42          2HD1      LEU  42   5.501  -2.486  -3.865
  285   3HD1  LEU  42          3HD1      LEU  42   5.221  -1.451  -2.464
  286   1HD2  LEU  42          1HD2      LEU  42   2.452  -1.202  -3.679
  287   2HD2  LEU  42          2HD2      LEU  42   2.791   0.529  -3.682
  288   3HD2  LEU  42          3HD2      LEU  42   3.452  -0.496  -2.408
  289    H    VAL  43           H        VAL  43   7.432   0.361  -2.734
  290    HA   VAL  43           HA       VAL  43   9.441   1.860  -4.241
  291    HB   VAL  43           HB       VAL  43  10.808   1.538  -2.001
  292   1HG1  VAL  43          1HG1      VAL  43   9.406   3.896  -1.471
  293   2HG1  VAL  43          2HG1      VAL  43   9.356   3.689  -3.221
  294   3HG1  VAL  43          3HG1      VAL  43  10.906   3.725  -2.382
  295   1HG2  VAL  43          1HG2      VAL  43   7.968   1.834  -1.053
  296   2HG2  VAL  43          2HG2      VAL  43   9.398   2.046  -0.043
  297   3HG2  VAL  43          3HG2      VAL  43   9.044   0.470  -0.750
  298    H    HIS  44           H        HIS  44   8.689  -0.939  -2.215
  299    HA   HIS  44           HA       HIS  44  10.230  -2.632  -3.963
  300   1HB   HIS  44          2HB       HIS  44  10.953  -3.487  -1.354
  301   2HB   HIS  44          1HB       HIS  44  12.007  -2.938  -2.652
  302    HD1  HIS  44           1HD      HIS  44  12.654  -0.386  -2.633
  303    HD2  HIS  44           2HD      HIS  44  10.640  -1.737   0.737
  304    HE1  HIS  44           1HE      HIS  44  12.979   1.401  -0.899
  305    HE2  HIS  44           2HE      HIS  44  11.644   0.627   1.086
  306    H    LYS  45           H        LYS  45   9.139  -4.422  -4.317
  307    HA   LYS  45           HA       LYS  45   6.692  -4.958  -2.974
  308   1HB   LYS  45          2HB       LYS  45   8.126  -5.965  -5.297
  309   2HB   LYS  45          1HB       LYS  45   7.336  -7.256  -4.403
  310   1HG   LYS  45          2HG       LYS  45   5.222  -6.403  -4.778
  311   2HG   LYS  45          1HG       LYS  45   5.826  -4.776  -5.104
  312   1HD   LYS  45          2HD       LYS  45   5.024  -5.971  -7.133
  313   2HD   LYS  45          1HD       LYS  45   6.714  -5.472  -7.228
  314   1HE   LYS  45          2HE       LYS  45   7.191  -7.857  -6.312
  315   2HE   LYS  45          1HE       LYS  45   5.560  -8.209  -6.880
  316   1HZ   LYS  45          1HZ       LYS  45   7.964  -7.938  -8.375
  317   2HZ   LYS  45          2HZ       LYS  45   6.775  -6.883  -8.954
  318   3HZ   LYS  45          3HZ       LYS  45   6.461  -8.543  -8.863
  319    H    GLY  46           H        GLY  46   7.938  -5.010  -0.803
  320   1HA   GLY  46          2HA       GLY  46   7.778  -7.590   0.247
  321   2HA   GLY  46          1HA       GLY  46   9.473  -7.257  -0.094
  322    H    ARG  47           H        ARG  47   9.755  -7.450   2.235
  323    HA   ARG  47           HA       ARG  47   8.642  -5.282   3.821
  324   1HB   ARG  47          2HB       ARG  47  10.607  -7.309   4.843
  325   2HB   ARG  47          1HB       ARG  47   9.343  -6.456   5.720
  326   1HG   ARG  47          2HG       ARG  47   7.820  -8.011   5.257
  327   2HG   ARG  47          1HG       ARG  47   8.311  -8.115   3.566
  328   1HD   ARG  47          2HD       ARG  47   8.677 -10.243   4.659
  329   2HD   ARG  47          1HD       ARG  47  10.223  -9.514   4.228
  330    HE   ARG  47           HE       ARG  47   9.562  -8.801   6.867
  331   1HH1  ARG  47          1HH1      ARG  47  10.529 -11.565   4.984
  332   2HH1  ARG  47          2HH1      ARG  47  11.326 -12.352   6.306
  333   1HH2  ARG  47          1HH2      ARG  47  10.612  -9.827   8.617
  334   2HH2  ARG  47          2HH2      ARG  47  11.376 -11.362   8.370
  335    H    CYS  48           H        CYS  48  10.063  -4.100   2.012
  336    HA   CYS  48           HA       CYS  48  11.878  -2.791   1.541
  337   1HB   CYS  48          2HB       CYS  48  11.286  -2.513   4.435
  338   2HB   CYS  48          1HB       CYS  48  12.734  -1.722   3.819
  Start of MODEL    3
    1   1H    LYS   1          1HT       LYS   1 -10.059   6.267 -11.806
    2   2H    LYS   1          2HT       LYS   1 -11.067   7.366 -10.955
    3   3H    LYS   1          3HT       LYS   1 -10.045   6.291 -10.092
    4    HA   LYS   1           HA       LYS   1  -8.308   7.545 -11.668
    5   1HB   LYS   1          2HB       LYS   1 -10.699   9.047 -11.720
    6   2HB   LYS   1          1HB       LYS   1  -9.595   9.924 -10.669
    7   1HG   LYS   1          2HG       LYS   1  -8.331   8.999 -13.120
    8   2HG   LYS   1          1HG       LYS   1  -9.693  10.084 -13.406
    9   1HD   LYS   1          2HD       LYS   1  -7.602  10.760 -11.370
   10   2HD   LYS   1          1HD       LYS   1  -7.329  11.092 -13.082
   11   1HE   LYS   1          2HE       LYS   1  -8.938  12.714 -13.165
   12   2HE   LYS   1          1HE       LYS   1  -9.900  11.976 -11.885
   13   1HZ   LYS   1          1HZ       LYS   1  -7.365  13.481 -11.526
   14   2HZ   LYS   1          2HZ       LYS   1  -8.222  12.717 -10.283
   15   3HZ   LYS   1          3HZ       LYS   1  -8.917  14.018 -11.112
   16    HA   PRO   2           HA       PRO   2  -8.275   9.394  -7.092
   17   1HB   PRO   2          2HB       PRO   2 -10.393   7.632  -5.973
   18   2HB   PRO   2          1HB       PRO   2 -10.029   9.324  -5.615
   19   1HG   PRO   2          2HG       PRO   2 -12.142   8.670  -7.099
   20   2HG   PRO   2          1HG       PRO   2 -11.164  10.099  -7.484
   21   1HD   PRO   2          2HD       PRO   2 -11.211   7.420  -8.806
   22   2HD   PRO   2          1HD       PRO   2 -11.032   9.032  -9.529
   23    H    ASP   3           H        ASP   3  -8.170   7.982  -4.813
   24    HA   ASP   3           HA       ASP   3  -7.129   5.320  -5.351
   25   1HB   ASP   3          2HB       ASP   3  -5.006   5.925  -4.057
   26   2HB   ASP   3          1HB       ASP   3  -5.121   6.518  -5.712
   27    H    ALA   4           H        ALA   4  -7.910   4.033  -3.816
   28    HA   ALA   4           HA       ALA   4  -7.709   4.550  -1.057
   29   1HB   ALA   4          1HB       ALA   4  -9.607   5.577  -0.546
   30   2HB   ALA   4          2HB       ALA   4 -10.550   4.384  -1.441
   31   3HB   ALA   4          3HB       ALA   4  -9.895   5.795  -2.272
   32    HA   PRO   5           HA       PRO   5 -10.639   0.610  -1.944
   33   1HB   PRO   5          2HB       PRO   5  -9.813   0.507  -4.821
   34   2HB   PRO   5          1HB       PRO   5 -11.317  -0.036  -4.066
   35   1HG   PRO   5          2HG       PRO   5 -11.204   2.265  -5.417
   36   2HG   PRO   5          1HG       PRO   5 -12.188   2.103  -3.952
   37   1HD   PRO   5          2HD       PRO   5  -9.632   3.546  -4.358
   38   2HD   PRO   5          1HD       PRO   5 -10.929   3.851  -3.188
   39    H    CYS   6           H        CYS   6  -9.654  -1.207  -1.326
   40    HA   CYS   6           HA       CYS   6  -6.957  -1.784  -2.341
   41   1HB   CYS   6          2HB       CYS   6  -6.384  -2.532   0.008
   42   2HB   CYS   6          1HB       CYS   6  -6.575  -0.794  -0.202
   43    H    ILE   7           H        ILE   7  -8.119  -3.326  -3.706
   44    HA   ILE   7           HA       ILE   7  -8.674  -5.804  -2.231
   45    HB   ILE   7           HB       ILE   7 -10.286  -4.797  -4.565
   46   1HG1  ILE   7          2HG1      ILE   7 -12.092  -5.115  -2.620
   47   2HG1  ILE   7          1HG1      ILE   7 -10.692  -4.760  -1.614
   48   1HG2  ILE   7          1HG2      ILE   7 -11.493  -6.993  -3.252
   49   2HG2  ILE   7          2HG2      ILE   7  -9.809  -7.420  -3.555
   50   3HG2  ILE   7          3HG2      ILE   7 -10.846  -6.922  -4.891
   51   1HD1  ILE   7          1HD1      ILE   7 -12.071  -3.023  -3.607
   52   2HD1  ILE   7          2HD1      ILE   7 -10.388  -2.726  -3.174
   53   3HD1  ILE   7          3HD1      ILE   7 -11.640  -2.684  -1.931
   54    H    CYS   8           H        CYS   8  -6.225  -5.506  -3.242
   55    HA   CYS   8           HA       CYS   8  -6.098  -6.538  -5.946
   56   1HB   CYS   8          2HB       CYS   8  -4.045  -5.819  -3.864
   57   2HB   CYS   8          1HB       CYS   8  -3.602  -6.640  -5.350
   58    H    THR   9           H        THR   9  -5.764  -7.606  -2.670
   59    HA   THR   9           HA       THR   9  -6.268 -10.315  -3.285
   60    HB   THR   9           HB       THR   9  -4.019 -10.440  -4.026
   61    HG1  THR   9           1HG      THR   9  -4.790 -12.009  -2.378
   62   1HG2  THR   9          1HG2      THR   9  -2.336  -9.872  -1.935
   63   2HG2  THR   9          2HG2      THR   9  -3.481  -8.531  -1.923
   64   3HG2  THR   9          3HG2      THR   9  -2.564  -8.896  -3.384
   65    H    MET  10           H        MET  10  -6.998 -11.355  -1.523
   66    HA   MET  10           HA       MET  10  -6.900  -9.902   1.012
   67   1HB   MET  10          2HB       MET  10  -8.700 -11.957  -0.174
   68   2HB   MET  10          1HB       MET  10  -8.482 -12.002   1.570
   69   1HG   MET  10          2HG       MET  10  -8.989  -9.431   1.364
   70   2HG   MET  10          1HG       MET  10  -9.775  -9.939  -0.130
   71   1HE   MET  10          1HE       MET  10 -12.276  -8.984   2.555
   72   2HE   MET  10          2HE       MET  10 -10.589  -8.494   2.400
   73   3HE   MET  10          3HE       MET  10 -11.100  -9.472   3.775
   74    H    GLN  11           H        GLN  11  -4.653 -11.393  -0.248
   75    HA   GLN  11           HA       GLN  11  -4.297 -13.619   1.615
   76   1HB   GLN  11          2HB       GLN  11  -3.063 -12.793  -0.957
   77   2HB   GLN  11          1HB       GLN  11  -2.059 -13.701   0.164
   78   1HG   GLN  11          2HG       GLN  11  -4.522 -15.042   0.052
   79   2HG   GLN  11          1HG       GLN  11  -4.093 -14.638  -1.609
   80   1HE2  GLN  11          1HE2      GLN  11  -1.899 -15.230  -2.301
   81   2HE2  GLN  11          2HE2      GLN  11  -1.208 -16.687  -1.681
   82    H    TYR  12           H        TYR  12  -1.470 -11.981   0.472
   83    HA   TYR  12           HA       TYR  12  -1.043 -10.154   2.529
   84   1HB   TYR  12          2HB       TYR  12  -1.150 -12.402   3.805
   85   2HB   TYR  12          1HB       TYR  12   0.429 -12.718   3.097
   86    HD1  TYR  12           1HD      TYR  12   1.465 -12.868   5.286
   87    HD2  TYR  12           2HD      TYR  12  -0.508  -9.303   4.058
   88    HE1  TYR  12           1HE      TYR  12   2.537 -11.645   7.129
   89    HE2  TYR  12           2HE      TYR  12   0.561  -8.073   5.896
   90    HH   TYR  12           HH       TYR  12   1.720  -9.239   8.462
   91    H    ASP  13           H        ASP  13  -0.300  -9.279   0.430
   92    HA   ASP  13           HA       ASP  13   2.410 -10.199  -0.266
   93   1HB   ASP  13          2HB       ASP  13   0.196  -9.551  -1.905
   94   2HB   ASP  13          1HB       ASP  13   1.362  -8.246  -2.109
   95    HA   PRO  14           HA       PRO  14   2.673  -6.308   2.278
   96   1HB   PRO  14          2HB       PRO  14   5.093  -7.096   3.360
   97   2HB   PRO  14          1HB       PRO  14   3.510  -7.327   4.108
   98   1HG   PRO  14          2HG       PRO  14   5.152  -9.249   2.513
   99   2HG   PRO  14          1HG       PRO  14   4.176  -9.542   3.967
  100   1HD   PRO  14          2HD       PRO  14   3.291 -10.236   1.542
  101   2HD   PRO  14          1HD       PRO  14   2.183  -9.581   2.768
  102    H    VAL  15           H        VAL  15   3.091  -4.880   0.683
  103    HA   VAL  15           HA       VAL  15   5.728  -4.922  -0.602
  104    HB   VAL  15           HB       VAL  15   4.736  -3.432  -2.259
  105   1HG1  VAL  15          1HG1      VAL  15   2.661  -5.376  -2.497
  106   2HG1  VAL  15          2HG1      VAL  15   4.126  -6.152  -1.893
  107   3HG1  VAL  15          3HG1      VAL  15   4.168  -5.244  -3.405
  108   1HG2  VAL  15          1HG2      VAL  15   3.107  -2.333  -0.786
  109   2HG2  VAL  15          2HG2      VAL  15   2.149  -3.813  -0.771
  110   3HG2  VAL  15          3HG2      VAL  15   2.368  -2.921  -2.276
  111    H    CYS  16           H        CYS  16   7.103  -3.381  -0.282
  112    HA   CYS  16           HA       CYS  16   6.644  -1.475   1.789
  113   1HB   CYS  16          2HB       CYS  16   8.857  -2.759   0.658
  114   2HB   CYS  16          1HB       CYS  16   9.072  -1.053   0.352
  115    H    GLY  17           H        GLY  17   5.789   0.465   1.539
  116   1HA   GLY  17          2HA       GLY  17   5.843   1.629  -1.149
  117   2HA   GLY  17          1HA       GLY  17   4.642   1.991   0.075
  118    H    SER  18           H        SER  18   6.553   3.570  -1.562
  119    HA   SER  18           HA       SER  18   8.632   4.685  -0.210
  120   1HB   SER  18          2HB       SER  18   8.105   5.261  -2.529
  121   2HB   SER  18          1HB       SER  18   6.650   6.106  -2.003
  122    HG   SER  18           HG       SER  18   9.351   6.812  -1.603
  123    H    ASP  19           H        ASP  19   8.375   4.890   1.877
  124    HA   ASP  19           HA       ASP  19   7.581   7.248   3.035
  125   1HB   ASP  19          2HB       ASP  19   5.264   6.134   2.363
  126   2HB   ASP  19          1HB       ASP  19   5.535   5.219   3.842
  127    H    GLY  20           H        GLY  20   7.980   3.815   3.232
  128   1HA   GLY  20          2HA       GLY  20   9.796   2.964   4.593
  129   2HA   GLY  20          1HA       GLY  20   9.337   4.136   5.824
  130    H    ILE  21           H        ILE  21   7.047   2.207   3.952
  131    HA   ILE  21           HA       ILE  21   6.575   0.606   6.382
  132    HB   ILE  21           HB       ILE  21   4.483   2.097   4.820
  133   1HG1  ILE  21          2HG1      ILE  21   5.672   2.284   7.558
  134   2HG1  ILE  21          1HG1      ILE  21   5.271   3.570   6.423
  135   1HG2  ILE  21          1HG2      ILE  21   4.139  -0.044   6.917
  136   2HG2  ILE  21          2HG2      ILE  21   3.626  -0.115   5.230
  137   3HG2  ILE  21          3HG2      ILE  21   2.848   1.011   6.343
  138   1HD1  ILE  21          1HD1      ILE  21   3.650   2.317   8.505
  139   2HD1  ILE  21          2HD1      ILE  21   2.818   2.568   6.971
  140   3HD1  ILE  21          3HD1      ILE  21   3.560   3.933   7.806
  141    H    THR  22           H        THR  22   5.466  -1.342   6.123
  142    HA   THR  22           HA       THR  22   5.627  -2.468   3.405
  143    HB   THR  22           HB       THR  22   5.553  -4.116   5.922
  144    HG1  THR  22           1HG      THR  22   7.331  -2.928   6.306
  145   1HG2  THR  22          1HG2      THR  22   6.906  -4.662   3.297
  146   2HG2  THR  22          2HG2      THR  22   5.279  -5.210   3.703
  147   3HG2  THR  22          3HG2      THR  22   6.661  -5.779   4.640
  148    H    TYR  23           H        TYR  23   3.638  -2.134   2.625
  149    HA   TYR  23           HA       TYR  23   1.273  -2.501   4.226
  150   1HB   TYR  23          2HB       TYR  23   1.559  -1.905   1.285
  151   2HB   TYR  23          1HB       TYR  23   0.119  -1.667   2.274
  152    HD1  TYR  23           1HD      TYR  23   0.262  -0.015   4.211
  153    HD2  TYR  23           2HD      TYR  23   3.231  -0.259   1.175
  154    HE1  TYR  23           1HE      TYR  23   1.105   2.199   4.863
  155    HE2  TYR  23           2HE      TYR  23   4.077   1.959   1.815
  156    HH   TYR  23           HH       TYR  23   4.007   3.567   3.408
  157    H    GLY  24           H        GLY  24   0.012  -4.215   4.339
  158   1HA   GLY  24          2HA       GLY  24   0.668  -6.748   3.665
  159   2HA   GLY  24          1HA       GLY  24  -0.999  -6.216   3.804
  160    H    ASN  25           H        ASN  25  -0.607  -4.337   1.561
  161    HA   ASN  25           HA       ASN  25   0.061  -5.861  -0.739
  162   1HB   ASN  25          2HB       ASN  25  -2.859  -5.546  -0.042
  163   2HB   ASN  25          1HB       ASN  25  -2.311  -5.844  -1.689
  164   1HD2  ASN  25          1HD2      ASN  25  -3.834  -7.372   0.483
  165   2HD2  ASN  25          2HD2      ASN  25  -3.102  -8.933   0.454
  166    H    ALA  26           H        ALA  26   0.111  -4.620  -2.622
  167    HA   ALA  26           HA       ALA  26   0.546  -1.902  -2.421
  168   1HB   ALA  26          1HB       ALA  26   0.275  -3.822  -4.566
  169   2HB   ALA  26          2HB       ALA  26   1.273  -2.370  -4.478
  170   3HB   ALA  26          3HB       ALA  26  -0.401  -2.256  -5.020
  171    H    CYS  27           H        CYS  27  -2.387  -3.647  -2.637
  172    HA   CYS  27           HA       CYS  27  -4.059  -1.411  -3.329
  173   1HB   CYS  27          2HB       CYS  27  -4.419  -4.293  -2.870
  174   2HB   CYS  27          1HB       CYS  27  -5.760  -3.297  -2.321
  175    H    MET  28           H        MET  28  -3.428  -3.408  -0.454
  176    HA   MET  28           HA       MET  28  -5.018  -2.113   1.401
  177   1HB   MET  28          2HB       MET  28  -2.204  -3.193   1.654
  178   2HB   MET  28          1HB       MET  28  -3.143  -2.637   3.024
  179   1HG   MET  28          2HG       MET  28  -4.526  -4.568   1.334
  180   2HG   MET  28          1HG       MET  28  -3.078  -5.188   2.125
  181   1HE   MET  28          1HE       MET  28  -3.800  -6.149   5.255
  182   2HE   MET  28          2HE       MET  28  -3.312  -4.483   5.569
  183   3HE   MET  28          3HE       MET  28  -2.583  -5.379   4.238
  184    H    LEU  29           H        LEU  29  -2.000  -1.331  -0.075
  185    HA   LEU  29           HA       LEU  29  -1.239   0.965   1.278
  186   1HB   LEU  29          2HB       LEU  29  -0.530  -0.461  -1.043
  187   2HB   LEU  29          1HB       LEU  29  -0.801   1.183  -1.557
  188    HG   LEU  29           HG       LEU  29   1.310   0.068   0.193
  189   1HD1  LEU  29          1HD1      LEU  29   1.567   0.777  -2.217
  190   2HD1  LEU  29          2HD1      LEU  29   2.705   1.498  -1.077
  191   3HD1  LEU  29          3HD1      LEU  29   1.330   2.433  -1.662
  192   1HD2  LEU  29          1HD2      LEU  29  -0.040   2.703   0.604
  193   2HD2  LEU  29          2HD2      LEU  29   1.684   2.534   0.930
  194   3HD2  LEU  29          3HD2      LEU  29   0.515   1.546   1.801
  195    H    LEU  30           H        LEU  30  -3.051   0.624  -1.727
  196    HA   LEU  30           HA       LEU  30  -3.738   3.249  -2.143
  197   1HB   LEU  30          2HB       LEU  30  -5.036   0.636  -2.770
  198   2HB   LEU  30          1HB       LEU  30  -5.977   2.098  -3.010
  199    HG   LEU  30           HG       LEU  30  -3.260   1.690  -4.240
  200   1HD1  LEU  30          1HD1      LEU  30  -5.635   1.459  -5.954
  201   2HD1  LEU  30          2HD1      LEU  30  -5.374   0.113  -4.845
  202   3HD1  LEU  30          3HD1      LEU  30  -4.112   0.568  -5.990
  203   1HD2  LEU  30          1HD2      LEU  30  -5.362   3.429  -5.400
  204   2HD2  LEU  30          2HD2      LEU  30  -3.610   3.635  -5.363
  205   3HD2  LEU  30          3HD2      LEU  30  -4.570   3.984  -3.926
  206    H    CYS  31           H        CYS  31  -4.991   0.912   0.149
  207    HA   CYS  31           HA       CYS  31  -7.180   2.602   0.994
  208   1HB   CYS  31          2HB       CYS  31  -6.125  -0.055   1.665
  209   2HB   CYS  31          1HB       CYS  31  -6.702   0.831   3.071
  210    H    ALA  32           H        ALA  32  -3.864   2.026   1.836
  211    HA   ALA  32           HA       ALA  32  -3.778   3.349   4.321
  212   1HB   ALA  32          1HB       ALA  32  -1.469   3.122   4.209
  213   2HB   ALA  32          2HB       ALA  32  -1.451   3.223   2.448
  214   3HB   ALA  32          3HB       ALA  32  -2.054   1.768   3.241
  215    H    SER  33           H        SER  33  -2.747   4.413   1.083
  216    HA   SER  33           HA       SER  33  -2.121   7.036   1.691
  217   1HB   SER  33          2HB       SER  33  -3.566   6.691  -0.862
  218   2HB   SER  33          1HB       SER  33  -1.947   7.322  -0.560
  219    HG   SER  33           HG       SER  33  -1.465   5.451  -1.463
  220    H    ALA  34           H        ALA  34  -5.246   5.544   1.120
  221    HA   ALA  34           HA       ALA  34  -6.630   8.099   1.344
  222   1HB   ALA  34          1HB       ALA  34  -7.613   6.789  -0.292
  223   2HB   ALA  34          2HB       ALA  34  -8.670   6.532   1.094
  224   3HB   ALA  34          3HB       ALA  34  -7.472   5.312   0.661
  225    H    ARG  35           H        ARG  35  -5.364   6.007   3.547
  226    HA   ARG  35           HA       ARG  35  -7.573   6.429   5.445
  227   1HB   ARG  35          2HB       ARG  35  -5.619   4.231   5.071
  228   2HB   ARG  35          1HB       ARG  35  -6.094   4.606   6.721
  229   1HG   ARG  35          2HG       ARG  35  -8.391   4.180   6.234
  230   2HG   ARG  35          1HG       ARG  35  -8.050   4.034   4.509
  231   1HD   ARG  35          2HD       ARG  35  -8.078   1.826   5.037
  232   2HD   ARG  35          1HD       ARG  35  -6.385   2.163   5.401
  233    HE   ARG  35           HE       ARG  35  -8.024   2.588   7.679
  234   1HH1  ARG  35          1HH1      ARG  35  -6.577   0.085   5.741
  235   2HH1  ARG  35          2HH1      ARG  35  -6.496  -1.058   7.040
  236   1HH2  ARG  35          1HH2      ARG  35  -7.926   1.094   9.401
  237   2HH2  ARG  35          2HH2      ARG  35  -7.263  -0.481   9.125
  238    H    SER  36           H        SER  36  -4.067   6.690   5.078
  239    HA   SER  36           HA       SER  36  -3.777   7.825   7.721
  240   1HB   SER  36          2HB       SER  36  -2.039   6.338   6.841
  241   2HB   SER  36          1HB       SER  36  -1.739   7.456   5.512
  242    HG   SER  36           HG       SER  36  -1.555   8.896   7.674
  243    H    ASP  37           H        ASP  37  -1.720   9.320   5.444
  244    HA   ASP  37           HA       ASP  37  -3.235  11.495   4.592
  245   1HB   ASP  37          2HB       ASP  37  -2.495  13.238   6.187
  246   2HB   ASP  37          1HB       ASP  37  -3.518  12.025   6.952
  247    H    THR  38           H        THR  38  -1.062   9.776   3.758
  248    HA   THR  38           HA       THR  38   0.758  11.850   2.826
  249    HB   THR  38           HB       THR  38   1.658   9.383   4.318
  250    HG1  THR  38           1HG      THR  38   1.269  11.204   5.601
  251   1HG2  THR  38          1HG2      THR  38   3.654   9.386   3.359
  252   2HG2  THR  38          2HG2      THR  38   3.781  11.143   3.460
  253   3HG2  THR  38          3HG2      THR  38   2.947  10.395   2.097
  254    HA   PRO  39           HA       PRO  39   0.121   9.504  -0.876
  255   1HB   PRO  39          2HB       PRO  39   1.870  10.807  -2.464
  256   2HB   PRO  39          1HB       PRO  39   0.345  11.533  -1.942
  257   1HG   PRO  39          2HG       PRO  39   3.104  11.927  -0.840
  258   2HG   PRO  39          1HG       PRO  39   1.854  13.139  -1.183
  259   1HD   PRO  39          2HD       PRO  39   2.326  12.176   1.313
  260   2HD   PRO  39          1HD       PRO  39   0.721  12.706   0.773
  261    H    ILE  40           H        ILE  40   1.062   7.540   0.080
  262    HA   ILE  40           HA       ILE  40   3.856   7.033  -0.028
  263    HB   ILE  40           HB       ILE  40   3.222   4.674   0.314
  264   1HG1  ILE  40          2HG1      ILE  40   0.785   5.553  -0.860
  265   2HG1  ILE  40          1HG1      ILE  40   1.230   3.921  -0.381
  266   1HG2  ILE  40          1HG2      ILE  40   3.398   6.287   2.192
  267   2HG2  ILE  40          2HG2      ILE  40   2.296   4.949   2.514
  268   3HG2  ILE  40          3HG2      ILE  40   1.655   6.535   2.092
  269   1HD1  ILE  40          1HD1      ILE  40   0.413   4.514   1.930
  270   2HD1  ILE  40          2HD1      ILE  40  -0.819   4.399   0.672
  271   3HD1  ILE  40          3HD1      ILE  40  -0.258   5.980   1.216
  272    H    GLU  41           H        GLU  41   4.954   5.566  -1.457
  273    HA   GLU  41           HA       GLU  41   3.606   4.994  -3.996
  274   1HB   GLU  41          2HB       GLU  41   5.866   6.880  -3.615
  275   2HB   GLU  41          1HB       GLU  41   5.949   5.813  -5.010
  276   1HG   GLU  41          2HG       GLU  41   3.936   6.673  -5.905
  277   2HG   GLU  41          1HG       GLU  41   3.559   7.528  -4.408
  278    H    LEU  42           H        LEU  42   3.751   2.821  -3.885
  279    HA   LEU  42           HA       LEU  42   5.362   1.099  -2.722
  280   1HB   LEU  42          2HB       LEU  42   3.836   1.013  -5.086
  281   2HB   LEU  42          1HB       LEU  42   5.353   0.214  -5.413
  282    HG   LEU  42           HG       LEU  42   3.391  -1.213  -4.573
  283   1HD1  LEU  42          1HD1      LEU  42   4.956  -2.736  -4.139
  284   2HD1  LEU  42          2HD1      LEU  42   5.559  -1.831  -2.751
  285   3HD1  LEU  42          3HD1      LEU  42   6.138  -1.448  -4.372
  286   1HD2  LEU  42          1HD2      LEU  42   2.520  -0.774  -2.581
  287   2HD2  LEU  42          2HD2      LEU  42   3.563   0.642  -2.463
  288   3HD2  LEU  42          3HD2      LEU  42   4.107  -0.908  -1.824
  289    H    VAL  43           H        VAL  43   7.318   0.023  -3.046
  290    HA   VAL  43           HA       VAL  43   9.194   1.197  -4.959
  291    HB   VAL  43           HB       VAL  43  10.224   0.825  -2.200
  292   1HG1  VAL  43          1HG1      VAL  43  11.826   1.314  -3.901
  293   2HG1  VAL  43          2HG1      VAL  43  11.635   2.768  -2.922
  294   3HG1  VAL  43          3HG1      VAL  43  10.859   2.661  -4.502
  295   1HG2  VAL  43          1HG2      VAL  43   8.115   2.172  -2.022
  296   2HG2  VAL  43          2HG2      VAL  43   8.898   3.389  -3.031
  297   3HG2  VAL  43          3HG2      VAL  43   9.580   2.976  -1.458
  298    H    HIS  44           H        HIS  44   8.634  -1.270  -2.488
  299    HA   HIS  44           HA       HIS  44   9.908  -3.240  -4.176
  300   1HB   HIS  44          2HB       HIS  44  11.035  -3.773  -1.655
  301   2HB   HIS  44          1HB       HIS  44  11.876  -3.266  -3.115
  302    HD1  HIS  44           1HD      HIS  44  12.459  -0.729  -3.323
  303    HD2  HIS  44           2HD      HIS  44  10.779  -1.837   0.314
  304    HE1  HIS  44           1HE      HIS  44  12.822   1.233  -1.794
  305    HE2  HIS  44           2HE      HIS  44  11.681   0.594   0.353
  306    H    LYS  45           H        LYS  45   8.642  -4.960  -4.164
  307    HA   LYS  45           HA       LYS  45   6.506  -5.272  -2.328
  308   1HB   LYS  45          2HB       LYS  45   7.422  -7.599  -3.936
  309   2HB   LYS  45          1HB       LYS  45   5.795  -6.994  -3.664
  310   1HG   LYS  45          2HG       LYS  45   5.991  -6.369  -5.818
  311   2HG   LYS  45          1HG       LYS  45   6.779  -4.961  -5.102
  312   1HD   LYS  45          2HD       LYS  45   8.343  -5.545  -6.668
  313   2HD   LYS  45          1HD       LYS  45   8.918  -6.492  -5.295
  314   1HE   LYS  45          2HE       LYS  45   8.862  -7.803  -7.374
  315   2HE   LYS  45          1HE       LYS  45   7.791  -8.460  -6.137
  316   1HZ   LYS  45          1HZ       LYS  45   6.692  -6.569  -8.094
  317   2HZ   LYS  45          2HZ       LYS  45   5.933  -7.851  -7.293
  318   3HZ   LYS  45          3HZ       LYS  45   6.980  -8.164  -8.584
  319    H    GLY  46           H        GLY  46   7.992  -5.149  -0.385
  320   1HA   GLY  46          2HA       GLY  46   8.058  -7.606   0.927
  321   2HA   GLY  46          1HA       GLY  46   9.677  -7.303   0.305
  322    H    ARG  47           H        ARG  47  10.196  -7.309   2.657
  323    HA   ARG  47           HA       ARG  47   9.315  -4.971   4.123
  324   1HB   ARG  47          2HB       ARG  47  11.530  -6.561   5.241
  325   2HB   ARG  47          1HB       ARG  47  10.031  -6.035   5.994
  326   1HG   ARG  47          2HG       ARG  47   9.012  -7.867   4.373
  327   2HG   ARG  47          1HG       ARG  47  10.642  -8.529   4.515
  328   1HD   ARG  47          2HD       ARG  47  10.455  -8.675   6.889
  329   2HD   ARG  47          1HD       ARG  47   8.942  -7.767   6.883
  330    HE   ARG  47           HE       ARG  47   8.930 -10.260   5.403
  331   1HH1  ARG  47          1HH1      ARG  47   8.232  -8.629   8.401
  332   2HH1  ARG  47          2HH1      ARG  47   7.109  -9.830   8.943
  333   1HH2  ARG  47          1HH2      ARG  47   7.457 -11.846   6.104
  334   2HH2  ARG  47          2HH2      ARG  47   6.674 -11.667   7.640
  335    H    CYS  48           H        CYS  48  10.381  -3.915   2.043
  336    HA   CYS  48           HA       CYS  48  12.120  -2.730   1.125
  337   1HB   CYS  48          2HB       CYS  48  11.924  -2.002   4.012
  338   2HB   CYS  48          1HB       CYS  48  13.126  -1.217   2.995
  Start of MODEL    4
    1   1H    LYS   1          1HT       LYS   1 -17.798   0.291  -5.160
    2   2H    LYS   1          2HT       LYS   1 -18.205   1.948  -4.970
    3   3H    LYS   1          3HT       LYS   1 -18.859   0.775  -3.903
    4    HA   LYS   1           HA       LYS   1 -17.122   2.002  -2.860
    5   1HB   LYS   1          2HB       LYS   1 -15.589  -0.131  -2.541
    6   2HB   LYS   1          1HB       LYS   1 -17.235  -0.095  -1.929
    7   1HG   LYS   1          2HG       LYS   1 -18.017  -1.342  -3.843
    8   2HG   LYS   1          1HG       LYS   1 -16.407  -1.295  -4.563
    9   1HD   LYS   1          2HD       LYS   1 -15.515  -2.730  -2.928
   10   2HD   LYS   1          1HD       LYS   1 -16.893  -2.496  -1.853
   11   1HE   LYS   1          2HE       LYS   1 -17.850  -3.512  -4.332
   12   2HE   LYS   1          1HE       LYS   1 -16.496  -4.512  -3.811
   13   1HZ   LYS   1          1HZ       LYS   1 -19.077  -4.048  -2.480
   14   2HZ   LYS   1          2HZ       LYS   1 -17.727  -4.462  -1.550
   15   3HZ   LYS   1          3HZ       LYS   1 -18.267  -5.506  -2.767
   16    HA   PRO   2           HA       PRO   2 -14.204   3.500  -5.975
   17   1HB   PRO   2          2HB       PRO   2 -13.202   4.850  -3.517
   18   2HB   PRO   2          1HB       PRO   2 -13.574   5.532  -5.105
   19   1HG   PRO   2          2HG       PRO   2 -15.212   5.914  -3.038
   20   2HG   PRO   2          1HG       PRO   2 -15.846   5.647  -4.674
   21   1HD   PRO   2          2HD       PRO   2 -15.725   3.771  -2.354
   22   2HD   PRO   2          1HD       PRO   2 -16.973   3.944  -3.605
   23    H    ASP   3           H        ASP   3 -11.644   4.077  -5.369
   24    HA   ASP   3           HA       ASP   3 -10.572   1.467  -4.557
   25   1HB   ASP   3          2HB       ASP   3  -9.926   3.322  -6.663
   26   2HB   ASP   3          1HB       ASP   3  -8.511   3.058  -5.648
   27    H    ALA   4           H        ALA   4 -10.353   1.591  -2.369
   28    HA   ALA   4           HA       ALA   4  -8.183   3.117  -1.337
   29   1HB   ALA   4          1HB       ALA   4 -10.977   4.002  -0.834
   30   2HB   ALA   4          2HB       ALA   4  -9.509   4.957  -1.048
   31   3HB   ALA   4          3HB       ALA   4  -9.804   4.120   0.477
   32    HA   PRO   5           HA       PRO   5 -10.720   0.595   2.294
   33   1HB   PRO   5          2HB       PRO   5 -11.604  -1.239   0.096
   34   2HB   PRO   5          1HB       PRO   5 -12.368  -0.910   1.654
   35   1HG   PRO   5          2HG       PRO   5 -13.119   0.262  -0.724
   36   2HG   PRO   5          1HG       PRO   5 -13.432   0.947   0.877
   37   1HD   PRO   5          2HD       PRO   5 -11.719   1.979  -1.183
   38   2HD   PRO   5          1HD       PRO   5 -12.016   2.658   0.428
   39    H    CYS   6           H        CYS   6  -9.472  -0.943   3.269
   40    HA   CYS   6           HA       CYS   6  -7.239  -1.960   1.701
   41   1HB   CYS   6          2HB       CYS   6  -6.982  -2.778   4.405
   42   2HB   CYS   6          1HB       CYS   6  -6.041  -1.571   3.538
   43    H    ILE   7           H        ILE   7  -9.334  -3.229   0.841
   44    HA   ILE   7           HA       ILE   7  -8.915  -5.941   1.813
   45    HB   ILE   7           HB       ILE   7 -11.588  -4.583   1.681
   46   1HG1  ILE   7          2HG1      ILE   7 -10.011  -4.817   3.791
   47   2HG1  ILE   7          1HG1      ILE   7 -11.755  -5.016   3.939
   48   1HG2  ILE   7          1HG2      ILE   7 -12.254  -7.123   2.280
   49   2HG2  ILE   7          2HG2      ILE   7 -10.895  -7.414   1.194
   50   3HG2  ILE   7          3HG2      ILE   7 -12.281  -6.474   0.640
   51   1HD1  ILE   7          1HD1      ILE   7 -10.570  -6.733   5.169
   52   2HD1  ILE   7          2HD1      ILE   7  -9.735  -7.235   3.699
   53   3HD1  ILE   7          3HD1      ILE   7 -11.482  -7.441   3.836
   54    H    CYS   8           H        CYS   8  -7.847  -6.349  -0.109
   55    HA   CYS   8           HA       CYS   8  -9.500  -6.280  -2.546
   56   1HB   CYS   8          2HB       CYS   8  -6.773  -5.465  -2.030
   57   2HB   CYS   8          1HB       CYS   8  -6.841  -6.684  -3.294
   58    H    THR   9           H        THR   9  -7.240  -8.093  -0.602
   59    HA   THR   9           HA       THR   9  -8.412 -10.598  -1.177
   60    HB   THR   9           HB       THR   9  -7.259 -10.329  -3.323
   61    HG1  THR   9           1HG      THR   9  -5.750 -12.199  -2.989
   62   1HG2  THR   9          1HG2      THR   9  -5.348  -9.225  -3.423
   63   2HG2  THR   9          2HG2      THR   9  -4.578 -10.663  -2.755
   64   3HG2  THR   9          3HG2      THR   9  -5.100  -9.363  -1.683
   65    H    MET  10           H        MET  10  -6.222 -12.225  -0.771
   66    HA   MET  10           HA       MET  10  -5.077 -11.282   1.757
   67   1HB   MET  10          2HB       MET  10  -6.958 -13.403   1.458
   68   2HB   MET  10          1HB       MET  10  -5.407 -14.125   1.860
   69   1HG   MET  10          2HG       MET  10  -6.365 -11.800   3.448
   70   2HG   MET  10          1HG       MET  10  -7.084 -13.385   3.727
   71   1HE   MET  10          1HE       MET  10  -6.274 -12.860   6.218
   72   2HE   MET  10          2HE       MET  10  -4.888 -13.822   6.729
   73   3HE   MET  10          3HE       MET  10  -6.213 -14.582   5.846
   74    H    GLN  11           H        GLN  11  -4.289 -11.694  -1.163
   75    HA   GLN  11           HA       GLN  11  -2.271 -13.717  -1.118
   76   1HB   GLN  11          2HB       GLN  11  -3.504 -12.130  -3.079
   77   2HB   GLN  11          1HB       GLN  11  -1.804 -11.681  -3.109
   78   1HG   GLN  11          2HG       GLN  11  -1.123 -13.760  -3.789
   79   2HG   GLN  11          1HG       GLN  11  -2.522 -14.568  -3.085
   80   1HE2  GLN  11          1HE2      GLN  11  -4.596 -14.228  -4.157
   81   2HE2  GLN  11          2HE2      GLN  11  -4.625 -14.028  -5.873
   82    H    TYR  12           H        TYR  12  -1.671 -12.644   1.055
   83    HA   TYR  12           HA       TYR  12  -0.445 -10.515   1.790
   84   1HB   TYR  12          2HB       TYR  12  -0.238 -12.894   2.793
   85   2HB   TYR  12          1HB       TYR  12   1.297 -12.954   1.932
   86    HD1  TYR  12           1HD      TYR  12  -0.539 -10.518   4.101
   87    HD2  TYR  12           2HD      TYR  12   3.150 -12.438   3.203
   88    HE1  TYR  12           1HE      TYR  12   0.533  -9.313   5.957
   89    HE2  TYR  12           2HE      TYR  12   4.231 -11.238   5.059
   90    HH   TYR  12           HH       TYR  12   2.373  -9.145   7.223
   91    H    ASP  13           H        ASP  13   0.100  -9.209   0.006
   92    HA   ASP  13           HA       ASP  13   2.743  -9.793  -1.155
   93   1HB   ASP  13          2HB       ASP  13   0.631  -9.540  -2.685
   94   2HB   ASP  13          1HB       ASP  13   0.807  -7.822  -2.346
   95    HA   PRO  14           HA       PRO  14   2.711  -6.225   1.952
   96   1HB   PRO  14          2HB       PRO  14   5.143  -7.058   3.005
   97   2HB   PRO  14          1HB       PRO  14   3.552  -7.373   3.703
   98   1HG   PRO  14          2HG       PRO  14   5.255  -9.135   1.998
   99   2HG   PRO  14          1HG       PRO  14   4.227  -9.560   3.380
  100   1HD   PRO  14          2HD       PRO  14   3.446 -10.046   0.865
  101   2HD   PRO  14          1HD       PRO  14   2.282  -9.518   2.101
  102    H    VAL  15           H        VAL  15   3.061  -4.752   0.344
  103    HA   VAL  15           HA       VAL  15   5.719  -4.587  -0.857
  104    HB   VAL  15           HB       VAL  15   4.711  -2.948  -2.347
  105   1HG1  VAL  15          1HG1      VAL  15   4.440  -5.553  -2.553
  106   2HG1  VAL  15          2HG1      VAL  15   3.640  -4.465  -3.689
  107   3HG1  VAL  15          3HG1      VAL  15   2.733  -5.164  -2.348
  108   1HG2  VAL  15          1HG2      VAL  15   2.203  -3.414  -0.748
  109   2HG2  VAL  15          2HG2      VAL  15   2.279  -2.521  -2.267
  110   3HG2  VAL  15          3HG2      VAL  15   3.128  -1.915  -0.844
  111    H    CYS  16           H        CYS  16   7.135  -3.218  -0.234
  112    HA   CYS  16           HA       CYS  16   6.600  -1.423   1.920
  113   1HB   CYS  16          2HB       CYS  16   8.833  -2.767   0.885
  114   2HB   CYS  16          1HB       CYS  16   9.166  -1.055   0.744
  115    H    GLY  17           H        GLY  17   5.777   0.506   1.681
  116   1HA   GLY  17          2HA       GLY  17   6.140   1.829  -0.899
  117   2HA   GLY  17          1HA       GLY  17   4.842   2.164   0.220
  118    H    SER  18           H        SER  18   7.009   3.713  -1.154
  119    HA   SER  18           HA       SER  18   8.941   4.679   0.479
  120   1HB   SER  18          2HB       SER  18   8.903   5.468  -1.756
  121   2HB   SER  18          1HB       SER  18   7.265   6.094  -1.582
  122    HG   SER  18           HG       SER  18   8.924   7.719  -1.483
  123    H    ASP  19           H        ASP  19   8.507   4.837   2.522
  124    HA   ASP  19           HA       ASP  19   7.732   7.139   3.729
  125   1HB   ASP  19          2HB       ASP  19   5.424   5.787   2.737
  126   2HB   ASP  19          1HB       ASP  19   5.393   5.687   4.494
  127    H    GLY  20           H        GLY  20   7.975   3.710   3.720
  128   1HA   GLY  20          2HA       GLY  20   9.344   2.577   5.303
  129   2HA   GLY  20          1HA       GLY  20   8.889   3.780   6.504
  130    H    ILE  21           H        ILE  21   6.618   2.222   4.311
  131    HA   ILE  21           HA       ILE  21   5.592   0.696   6.624
  132    HB   ILE  21           HB       ILE  21   3.982   2.333   4.678
  133   1HG1  ILE  21          2HG1      ILE  21   4.960   3.561   6.576
  134   2HG1  ILE  21          1HG1      ILE  21   3.203   3.494   6.678
  135   1HG2  ILE  21          1HG2      ILE  21   3.171   0.137   6.533
  136   2HG2  ILE  21          2HG2      ILE  21   2.656   0.453   4.876
  137   3HG2  ILE  21          3HG2      ILE  21   2.059   1.463   6.192
  138   1HD1  ILE  21          1HD1      ILE  21   4.246   1.262   8.077
  139   2HD1  ILE  21          2HD1      ILE  21   3.362   2.649   8.711
  140   3HD1  ILE  21          3HD1      ILE  21   5.122   2.701   8.598
  141    H    THR  22           H        THR  22   5.142  -1.374   6.265
  142    HA   THR  22           HA       THR  22   5.349  -2.380   3.529
  143    HB   THR  22           HB       THR  22   4.992  -4.230   5.836
  144    HG1  THR  22           1HG      THR  22   7.344  -4.031   6.134
  145   1HG2  THR  22          1HG2      THR  22   5.352  -4.988   3.478
  146   2HG2  THR  22          2HG2      THR  22   6.490  -5.626   4.666
  147   3HG2  THR  22          3HG2      THR  22   6.979  -4.316   3.590
  148    H    TYR  23           H        TYR  23   3.449  -2.066   2.562
  149    HA   TYR  23           HA       TYR  23   0.955  -2.523   3.924
  150   1HB   TYR  23          2HB       TYR  23   1.441  -1.906   1.011
  151   2HB   TYR  23          1HB       TYR  23  -0.052  -1.674   1.916
  152    HD1  TYR  23           1HD      TYR  23   3.193  -0.304   1.095
  153    HD2  TYR  23           2HD      TYR  23  -0.150   0.086   3.699
  154    HE1  TYR  23           1HE      TYR  23   3.956   1.945   1.731
  155    HE2  TYR  23           2HE      TYR  23   0.604   2.344   4.325
  156    HH   TYR  23           HH       TYR  23   2.402   3.763   4.285
  157    H    GLY  24           H        GLY  24  -0.066  -4.367   4.052
  158   1HA   GLY  24          2HA       GLY  24   0.683  -6.838   3.352
  159   2HA   GLY  24          1HA       GLY  24  -1.013  -6.378   3.399
  160    H    ASN  25           H        ASN  25  -0.653  -4.483   1.215
  161    HA   ASN  25           HA       ASN  25   0.322  -5.755  -1.082
  162   1HB   ASN  25          2HB       ASN  25  -2.061  -6.095  -2.126
  163   2HB   ASN  25          1HB       ASN  25  -1.312  -7.368  -1.174
  164   1HD2  ASN  25          1HD2      ASN  25  -2.746  -8.353   0.059
  165   2HD2  ASN  25          2HD2      ASN  25  -4.052  -7.595   0.892
  166    H    ALA  26           H        ALA  26  -0.078  -4.587  -3.029
  167    HA   ALA  26           HA       ALA  26   0.076  -1.864  -2.833
  168   1HB   ALA  26          1HB       ALA  26   0.564  -2.184  -4.975
  169   2HB   ALA  26          2HB       ALA  26  -1.161  -2.335  -5.310
  170   3HB   ALA  26          3HB       ALA  26  -0.201  -3.772  -4.955
  171    H    CYS  27           H        CYS  27  -2.718  -3.841  -2.668
  172    HA   CYS  27           HA       CYS  27  -4.603  -1.726  -3.201
  173   1HB   CYS  27          2HB       CYS  27  -4.762  -4.605  -2.590
  174   2HB   CYS  27          1HB       CYS  27  -6.079  -3.635  -1.942
  175    H    MET  28           H        MET  28  -3.564  -3.577  -0.353
  176    HA   MET  28           HA       MET  28  -4.928  -2.236   1.645
  177   1HB   MET  28          2HB       MET  28  -2.147  -3.354   1.463
  178   2HB   MET  28          1HB       MET  28  -2.667  -2.534   2.925
  179   1HG   MET  28          2HG       MET  28  -4.700  -4.353   2.365
  180   2HG   MET  28          1HG       MET  28  -3.200  -5.221   2.042
  181   1HE   MET  28          1HE       MET  28  -4.064  -6.791   3.553
  182   2HE   MET  28          2HE       MET  28  -4.153  -6.683   5.311
  183   3HE   MET  28          3HE       MET  28  -2.590  -6.873   4.518
  184    H    LEU  29           H        LEU  29  -2.045  -1.468  -0.146
  185    HA   LEU  29           HA       LEU  29  -1.216   0.902   0.992
  186   1HB   LEU  29          2HB       LEU  29  -0.745  -0.603  -1.347
  187   2HB   LEU  29          1HB       LEU  29  -1.063   1.027  -1.870
  188    HG   LEU  29           HG       LEU  29   1.218  -0.046  -0.297
  189   1HD1  LEU  29          1HD1      LEU  29   0.729   1.738  -2.625
  190   2HD1  LEU  29          2HD1      LEU  29   1.849   0.389  -2.454
  191   3HD1  LEU  29          3HD1      LEU  29   2.217   1.941  -1.702
  192   1HD2  LEU  29          1HD2      LEU  29   1.744   2.330   0.391
  193   2HD2  LEU  29          2HD2      LEU  29   0.449   1.547   1.285
  194   3HD2  LEU  29          3HD2      LEU  29   0.064   2.716   0.031
  195    H    LEU  30           H        LEU  30  -3.392   0.387  -1.732
  196    HA   LEU  30           HA       LEU  30  -4.139   2.985  -2.223
  197   1HB   LEU  30          2HB       LEU  30  -5.526   0.350  -2.472
  198   2HB   LEU  30          1HB       LEU  30  -6.473   1.805  -2.699
  199    HG   LEU  30           HG       LEU  30  -3.929   1.421  -4.227
  200   1HD1  LEU  30          1HD1      LEU  30  -5.404   0.474  -6.061
  201   2HD1  LEU  30          2HD1      LEU  30  -6.596   0.160  -4.799
  202   3HD1  LEU  30          3HD1      LEU  30  -5.011  -0.609  -4.725
  203   1HD2  LEU  30          1HD2      LEU  30  -5.721   2.607  -5.871
  204   2HD2  LEU  30          2HD2      LEU  30  -4.620   3.483  -4.807
  205   3HD2  LEU  30          3HD2      LEU  30  -6.283   3.182  -4.301
  206    H    CYS  31           H        CYS  31  -5.019   0.838   0.384
  207    HA   CYS  31           HA       CYS  31  -7.087   2.572   1.417
  208   1HB   CYS  31          2HB       CYS  31  -6.856   0.027   1.804
  209   2HB   CYS  31          1HB       CYS  31  -5.648   0.456   3.011
  210    H    ALA  32           H        ALA  32  -3.669   2.093   1.809
  211    HA   ALA  32           HA       ALA  32  -3.272   3.594   4.162
  212   1HB   ALA  32          1HB       ALA  32  -1.306   3.284   1.901
  213   2HB   ALA  32          2HB       ALA  32  -1.622   2.019   3.090
  214   3HB   ALA  32          3HB       ALA  32  -0.957   3.569   3.606
  215    H    SER  33           H        SER  33  -2.732   4.451   0.745
  216    HA   SER  33           HA       SER  33  -2.386   7.216   1.237
  217   1HB   SER  33          2HB       SER  33  -2.019   5.628  -0.933
  218   2HB   SER  33          1HB       SER  33  -3.530   6.421  -1.378
  219    HG   SER  33           HG       SER  33  -2.480   8.216  -1.683
  220    H    ALA  34           H        ALA  34  -5.133   5.224   1.253
  221    HA   ALA  34           HA       ALA  34  -7.013   7.331   0.586
  222   1HB   ALA  34          1HB       ALA  34  -7.217   4.408   1.122
  223   2HB   ALA  34          2HB       ALA  34  -7.743   5.333  -0.284
  224   3HB   ALA  34          3HB       ALA  34  -8.660   5.416   1.220
  225    H    ARG  35           H        ARG  35  -5.724   5.826   3.471
  226    HA   ARG  35           HA       ARG  35  -7.515   7.545   5.054
  227   1HB   ARG  35          2HB       ARG  35  -8.014   5.872   6.587
  228   2HB   ARG  35          1HB       ARG  35  -8.068   5.023   5.048
  229   1HG   ARG  35          2HG       ARG  35  -5.455   4.712   5.780
  230   2HG   ARG  35          1HG       ARG  35  -6.292   4.659   7.333
  231   1HD   ARG  35          2HD       ARG  35  -6.524   2.834   4.983
  232   2HD   ARG  35          1HD       ARG  35  -6.347   2.445   6.693
  233    HE   ARG  35           HE       ARG  35  -8.810   3.013   5.276
  234   1HH1  ARG  35          1HH1      ARG  35  -7.216   2.661   8.352
  235   2HH1  ARG  35          2HH1      ARG  35  -8.684   2.367   9.223
  236   1HH2  ARG  35          1HH2      ARG  35 -10.748   2.618   6.413
  237   2HH2  ARG  35          2HH2      ARG  35 -10.689   2.338   8.122
  238    H    SER  36           H        SER  36  -4.555   7.618   4.175
  239    HA   SER  36           HA       SER  36  -3.370   7.783   6.849
  240   1HB   SER  36          2HB       SER  36  -2.289   6.329   5.094
  241   2HB   SER  36          1HB       SER  36  -1.933   7.797   4.186
  242    HG   SER  36           HG       SER  36  -0.987   7.061   6.755
  243    H    ASP  37           H        ASP  37  -1.482   9.494   4.729
  244    HA   ASP  37           HA       ASP  37  -2.785  11.934   4.410
  245   1HB   ASP  37          2HB       ASP  37  -1.730  13.246   6.244
  246   2HB   ASP  37          1HB       ASP  37  -2.905  12.064   6.814
  247    H    THR  38           H        THR  38  -0.660  10.113   3.292
  248    HA   THR  38           HA       THR  38   1.024  12.181   2.261
  249    HB   THR  38           HB       THR  38   2.450   9.955   3.707
  250    HG1  THR  38           1HG      THR  38   2.314  12.540   4.766
  251   1HG2  THR  38          1HG2      THR  38   3.268  12.428   2.309
  252   2HG2  THR  38          2HG2      THR  38   4.059  10.855   2.396
  253   3HG2  THR  38          3HG2      THR  38   4.163  11.970   3.758
  254    HA   PRO  39           HA       PRO  39   0.204   9.299  -1.090
  255   1HB   PRO  39          2HB       PRO  39   2.248  11.097  -2.320
  256   2HB   PRO  39          1HB       PRO  39   0.700  10.544  -2.970
  257   1HG   PRO  39          2HG       PRO  39   0.935  13.010  -2.028
  258   2HG   PRO  39          1HG       PRO  39  -0.524  12.060  -1.695
  259   1HD   PRO  39          2HD       PRO  39   1.778  12.692   0.102
  260   2HD   PRO  39          1HD       PRO  39   0.048  12.567   0.485
  261    H    ILE  40           H        ILE  40   1.217   7.470  -0.201
  262    HA   ILE  40           HA       ILE  40   3.992   7.161   0.119
  263    HB   ILE  40           HB       ILE  40   3.488   4.712   0.098
  264   1HG1  ILE  40          2HG1      ILE  40   1.307   5.450  -1.408
  265   2HG1  ILE  40          1HG1      ILE  40   1.538   3.878  -0.658
  266   1HG2  ILE  40          1HG2      ILE  40   3.428   5.516   2.230
  267   2HG2  ILE  40          2HG2      ILE  40   1.756   4.978   2.073
  268   3HG2  ILE  40          3HG2      ILE  40   2.156   6.684   1.871
  269   1HD1  ILE  40          1HD1      ILE  40  -0.068   6.193   0.381
  270   2HD1  ILE  40          2HD1      ILE  40   0.314   4.764   1.341
  271   3HD1  ILE  40          3HD1      ILE  40  -0.649   4.607  -0.128
  272    H    GLU  41           H        GLU  41   5.477   5.936  -1.156
  273    HA   GLU  41           HA       GLU  41   4.672   5.605  -3.968
  274   1HB   GLU  41          2HB       GLU  41   6.798   7.333  -2.871
  275   2HB   GLU  41          1HB       GLU  41   7.251   6.367  -4.271
  276   1HG   GLU  41          2HG       GLU  41   5.337   7.285  -5.501
  277   2HG   GLU  41          1HG       GLU  41   4.936   8.282  -4.102
  278    H    LEU  42           H        LEU  42   4.573   3.403  -3.809
  279    HA   LEU  42           HA       LEU  42   6.004   1.559  -2.557
  280   1HB   LEU  42          2HB       LEU  42   4.620   1.626  -5.039
  281   2HB   LEU  42          1HB       LEU  42   6.046   0.637  -5.212
  282    HG   LEU  42           HG       LEU  42   3.716  -0.368  -4.430
  283   1HD1  LEU  42          1HD1      LEU  42   6.280  -1.257  -4.584
  284   2HD1  LEU  42          2HD1      LEU  42   4.892  -2.246  -4.132
  285   3HD1  LEU  42          3HD1      LEU  42   5.908  -1.530  -2.882
  286   1HD2  LEU  42          1HD2      LEU  42   5.034   0.137  -1.781
  287   2HD2  LEU  42          2HD2      LEU  42   3.429  -0.515  -2.108
  288   3HD2  LEU  42          3HD2      LEU  42   3.767   1.190  -2.411
  289    H    VAL  43           H        VAL  43   7.898   0.402  -2.750
  290    HA   VAL  43           HA       VAL  43   9.924   1.454  -4.589
  291    HB   VAL  43           HB       VAL  43  10.696   1.048  -1.724
  292   1HG1  VAL  43          1HG1      VAL  43  11.932   2.020  -4.194
  293   2HG1  VAL  43          2HG1      VAL  43  12.675   1.339  -2.749
  294   3HG1  VAL  43          3HG1      VAL  43  12.230   3.044  -2.791
  295   1HG2  VAL  43          1HG2      VAL  43   8.865   2.696  -1.753
  296   2HG2  VAL  43          2HG2      VAL  43   9.775   3.659  -2.917
  297   3HG2  VAL  43          3HG2      VAL  43  10.410   3.412  -1.291
  298    H    HIS  44           H        HIS  44   9.014  -1.008  -2.229
  299    HA   HIS  44           HA       HIS  44  10.316  -3.004  -3.869
  300   1HB   HIS  44          2HB       HIS  44  11.075  -3.752  -1.275
  301   2HB   HIS  44          1HB       HIS  44  12.130  -3.232  -2.584
  302    HD1  HIS  44           1HD      HIS  44  12.809  -0.673  -2.588
  303    HD2  HIS  44           2HD      HIS  44  10.809  -1.983   0.810
  304    HE1  HIS  44           1HE      HIS  44  13.166   1.125  -0.866
  305    HE2  HIS  44           2HE      HIS  44  11.962   0.310   1.185
  306    H    LYS  45           H        LYS  45   8.851  -4.529  -4.154
  307    HA   LYS  45           HA       LYS  45   6.525  -4.746  -2.549
  308   1HB   LYS  45          2HB       LYS  45   7.620  -6.651  -4.624
  309   2HB   LYS  45          1HB       LYS  45   5.988  -6.683  -3.968
  310   1HG   LYS  45          2HG       LYS  45   5.339  -5.273  -5.539
  311   2HG   LYS  45          1HG       LYS  45   6.464  -4.064  -4.918
  312   1HD   LYS  45          2HD       LYS  45   7.594  -4.234  -6.828
  313   2HD   LYS  45          1HD       LYS  45   8.031  -5.880  -6.361
  314   1HE   LYS  45          2HE       LYS  45   5.359  -5.836  -7.400
  315   2HE   LYS  45          1HE       LYS  45   6.456  -5.063  -8.543
  316   1HZ   LYS  45          1HZ       LYS  45   7.478  -6.993  -8.993
  317   2HZ   LYS  45          2HZ       LYS  45   6.066  -7.701  -8.390
  318   3HZ   LYS  45          3HZ       LYS  45   7.421  -7.539  -7.392
  319    H    GLY  46           H        GLY  46   7.962  -4.972  -0.524
  320   1HA   GLY  46          2HA       GLY  46   7.575  -7.542   0.547
  321   2HA   GLY  46          1HA       GLY  46   9.270  -7.363   0.108
  322    H    ARG  47           H        ARG  47   9.593  -7.622   2.468
  323    HA   ARG  47           HA       ARG  47   8.777  -5.367   4.094
  324   1HB   ARG  47          2HB       ARG  47  10.746  -7.310   5.157
  325   2HB   ARG  47          1HB       ARG  47   9.313  -6.631   5.917
  326   1HG   ARG  47          2HG       ARG  47   8.107  -8.145   4.102
  327   2HG   ARG  47          1HG       ARG  47   9.610  -9.056   4.245
  328   1HD   ARG  47          2HD       ARG  47   8.279  -8.207   6.755
  329   2HD   ARG  47          1HD       ARG  47   7.506  -9.489   5.824
  330    HE   ARG  47           HE       ARG  47  10.080 -10.306   5.976
  331   1HH1  ARG  47          1HH1      ARG  47   7.761  -9.254   8.351
  332   2HH1  ARG  47          2HH1      ARG  47   8.413 -10.240   9.616
  333   1HH2  ARG  47          1HH2      ARG  47  10.946 -11.613   7.637
  334   2HH2  ARG  47          2HH2      ARG  47  10.222 -11.583   9.210
  335    H    CYS  48           H        CYS  48  10.069  -4.153   2.292
  336    HA   CYS  48           HA       CYS  48  11.987  -3.058   1.626
  337   1HB   CYS  48          2HB       CYS  48  11.575  -2.607   4.547
  338   2HB   CYS  48          1HB       CYS  48  12.937  -1.845   3.738
  Start of MODEL    5
    1   1H    LYS   1          1HT       LYS   1  -8.966   9.091  -9.861
    2   2H    LYS   1          2HT       LYS   1  -7.415   9.524  -9.264
    3   3H    LYS   1          3HT       LYS   1  -8.711  10.647  -9.191
    4    HA   LYS   1           HA       LYS   1  -8.037   9.397  -7.110
    5   1HB   LYS   1          2HB       LYS   1 -10.826   9.741  -8.203
    6   2HB   LYS   1          1HB       LYS   1 -10.534   9.242  -6.543
    7   1HG   LYS   1          2HG       LYS   1  -9.496  11.784  -7.778
    8   2HG   LYS   1          1HG       LYS   1 -10.946  11.661  -6.778
    9   1HD   LYS   1          2HD       LYS   1  -9.061  10.419  -5.228
   10   2HD   LYS   1          1HD       LYS   1  -8.124  11.695  -6.008
   11   1HE   LYS   1          2HE       LYS   1  -9.552  13.386  -5.162
   12   2HE   LYS   1          1HE       LYS   1 -10.759  12.207  -4.648
   13   1HZ   LYS   1          1HZ       LYS   1  -9.636  11.754  -2.767
   14   2HZ   LYS   1          2HZ       LYS   1  -8.949  13.279  -3.016
   15   3HZ   LYS   1          3HZ       LYS   1  -8.114  11.887  -3.494
   16    HA   PRO   2           HA       PRO   2  -8.199   5.024  -8.639
   17   1HB   PRO   2          2HB       PRO   2  -6.159   4.795  -6.505
   18   2HB   PRO   2          1HB       PRO   2  -6.107   4.228  -8.177
   19   1HG   PRO   2          2HG       PRO   2  -4.672   6.339  -7.394
   20   2HG   PRO   2          1HG       PRO   2  -5.437   6.289  -8.994
   21   1HD   PRO   2          2HD       PRO   2  -6.308   7.733  -6.520
   22   2HD   PRO   2          1HD       PRO   2  -6.338   8.276  -8.211
   23    H    ASP   3           H        ASP   3  -7.776   3.051  -6.821
   24    HA   ASP   3           HA       ASP   3 -10.208   2.994  -5.384
   25   1HB   ASP   3          2HB       ASP   3  -8.540   1.083  -6.277
   26   2HB   ASP   3          1HB       ASP   3  -8.051   1.123  -4.586
   27    H    ALA   4           H        ALA   4  -9.670   1.847  -2.967
   28    HA   ALA   4           HA       ALA   4  -7.880   3.428  -1.399
   29   1HB   ALA   4          1HB       ALA   4  -9.311   5.155  -1.180
   30   2HB   ALA   4          2HB       ALA   4 -10.083   4.104   0.006
   31   3HB   ALA   4          3HB       ALA   4 -10.712   4.187  -1.639
   32    HA   PRO   5           HA       PRO   5 -10.893   0.635   1.577
   33   1HB   PRO   5          2HB       PRO   5 -11.471  -1.010  -0.866
   34   2HB   PRO   5          1HB       PRO   5 -12.429  -0.822   0.608
   35   1HG   PRO   5          2HG       PRO   5 -12.928   0.562  -1.692
   36   2HG   PRO   5          1HG       PRO   5 -13.337   1.161  -0.078
   37   1HD   PRO   5          2HD       PRO   5 -11.373   2.188  -1.940
   38   2HD   PRO   5          1HD       PRO   5 -11.865   2.857  -0.371
   39    H    CYS   6           H        CYS   6  -9.867  -1.040   2.610
   40    HA   CYS   6           HA       CYS   6  -7.482  -2.086   1.267
   41   1HB   CYS   6          2HB       CYS   6  -7.283  -2.859   3.918
   42   2HB   CYS   6          1HB       CYS   6  -6.484  -1.480   3.177
   43    H    ILE   7           H        ILE   7  -9.521  -3.344   0.281
   44    HA   ILE   7           HA       ILE   7  -9.256  -6.019   1.392
   45    HB   ILE   7           HB       ILE   7 -11.884  -4.637   0.950
   46   1HG1  ILE   7          2HG1      ILE   7 -10.543  -4.692   3.210
   47   2HG1  ILE   7          1HG1      ILE   7 -12.283  -4.960   3.211
   48   1HG2  ILE   7          1HG2      ILE   7 -11.163  -7.425   0.545
   49   2HG2  ILE   7          2HG2      ILE   7 -12.639  -6.569   0.102
   50   3HG2  ILE   7          3HG2      ILE   7 -12.457  -7.230   1.727
   51   1HD1  ILE   7          1HD1      ILE   7 -10.827  -7.429   2.857
   52   2HD1  ILE   7          2HD1      ILE   7 -12.046  -6.995   4.056
   53   3HD1  ILE   7          3HD1      ILE   7 -10.352  -6.587   4.331
   54    H    CYS   8           H        CYS   8  -7.920  -6.122  -0.539
   55    HA   CYS   8           HA       CYS   8  -9.425  -6.223  -3.056
   56   1HB   CYS   8          2HB       CYS   8  -6.704  -5.502  -2.318
   57   2HB   CYS   8          1HB       CYS   8  -6.750  -6.662  -3.636
   58    H    THR   9           H        THR   9  -7.332  -8.056  -0.943
   59    HA   THR   9           HA       THR   9  -8.486 -10.548  -1.599
   60    HB   THR   9           HB       THR   9  -7.214 -10.283  -3.670
   61    HG1  THR   9           1HG      THR   9  -6.496 -12.275  -3.618
   62   1HG2  THR   9          1HG2      THR   9  -4.612 -10.568  -3.229
   63   2HG2  THR   9          2HG2      THR   9  -5.026  -9.572  -1.835
   64   3HG2  THR   9          3HG2      THR   9  -5.378  -8.999  -3.464
   65    H    MET  10           H        MET  10  -6.302 -12.176  -1.126
   66    HA   MET  10           HA       MET  10  -5.330 -11.329   1.508
   67   1HB   MET  10          2HB       MET  10  -7.036 -13.598   0.876
   68   2HB   MET  10          1HB       MET  10  -5.534 -14.115   1.632
   69   1HG   MET  10          2HG       MET  10  -6.825 -11.835   2.937
   70   2HG   MET  10          1HG       MET  10  -7.764 -13.325   2.960
   71   1HE   MET  10          1HE       MET  10  -5.919 -12.206   6.199
   72   2HE   MET  10          2HE       MET  10  -6.111 -11.231   4.742
   73   3HE   MET  10          3HE       MET  10  -4.507 -11.770   5.236
   74    H    GLN  11           H        GLN  11  -4.332 -11.551  -1.358
   75    HA   GLN  11           HA       GLN  11  -2.319 -13.572  -1.354
   76   1HB   GLN  11          2HB       GLN  11  -3.432 -11.981  -3.282
   77   2HB   GLN  11          1HB       GLN  11  -1.858 -11.227  -3.067
   78   1HG   GLN  11          2HG       GLN  11  -1.397 -13.991  -3.187
   79   2HG   GLN  11          1HG       GLN  11  -2.553 -13.624  -4.466
   80   1HE2  GLN  11          1HE2      GLN  11  -0.449 -14.450  -5.548
   81   2HE2  GLN  11          2HE2      GLN  11   0.623 -13.212  -6.097
   82    H    TYR  12           H        TYR  12  -1.874 -12.677   0.970
   83    HA   TYR  12           HA       TYR  12  -0.625 -10.574   1.858
   84   1HB   TYR  12          2HB       TYR  12  -0.734 -12.972   2.854
   85   2HB   TYR  12          1HB       TYR  12   0.884 -13.146   2.190
   86    HD1  TYR  12           1HD      TYR  12  -0.198  -9.882   3.467
   87    HD2  TYR  12           2HD      TYR  12   1.793 -13.523   4.419
   88    HE1  TYR  12           1HE      TYR  12   0.736  -8.839   5.485
   89    HE2  TYR  12           2HE      TYR  12   2.731 -12.487   6.440
   90    HH   TYR  12           HH       TYR  12   1.620  -9.542   7.680
   91    H    ASP  13           H        ASP  13   0.243  -9.325   0.136
   92    HA   ASP  13           HA       ASP  13   2.979 -10.122  -0.622
   93   1HB   ASP  13          2HB       ASP  13   0.780  -9.491  -2.318
   94   2HB   ASP  13          1HB       ASP  13   1.932  -8.164  -2.433
   95    HA   PRO  14           HA       PRO  14   2.810  -6.318   2.134
   96   1HB   PRO  14          2HB       PRO  14   5.259  -7.012   3.253
   97   2HB   PRO  14          1HB       PRO  14   3.671  -7.329   3.956
   98   1HG   PRO  14          2HG       PRO  14   5.431  -9.138   2.355
   99   2HG   PRO  14          1HG       PRO  14   4.424  -9.512   3.767
  100   1HD   PRO  14          2HD       PRO  14   3.632 -10.184   1.310
  101   2HD   PRO  14          1HD       PRO  14   2.463  -9.569   2.501
  102    H    VAL  15           H        VAL  15   3.135  -4.950   0.406
  103    HA   VAL  15           HA       VAL  15   5.798  -4.748  -0.757
  104    HB   VAL  15           HB       VAL  15   4.770  -3.243  -2.359
  105   1HG1  VAL  15          1HG1      VAL  15   2.664  -5.144  -2.615
  106   2HG1  VAL  15          2HG1      VAL  15   4.110  -5.965  -2.029
  107   3HG1  VAL  15          3HG1      VAL  15   4.170  -5.033  -3.526
  108   1HG2  VAL  15          1HG2      VAL  15   3.173  -1.994  -1.253
  109   2HG2  VAL  15          2HG2      VAL  15   2.443  -3.411  -0.499
  110   3HG2  VAL  15          3HG2      VAL  15   2.177  -3.090  -2.213
  111    H    CYS  16           H        CYS  16   7.171  -3.317  -0.165
  112    HA   CYS  16           HA       CYS  16   6.579  -1.434   1.906
  113   1HB   CYS  16          2HB       CYS  16   8.851  -2.769   0.934
  114   2HB   CYS  16          1HB       CYS  16   9.138  -1.059   0.713
  115    H    GLY  17           H        GLY  17   5.764   0.520   1.582
  116   1HA   GLY  17          2HA       GLY  17   6.213   1.740  -1.052
  117   2HA   GLY  17          1HA       GLY  17   4.833   2.073  -0.023
  118    H    SER  18           H        SER  18   6.848   3.784  -1.298
  119    HA   SER  18           HA       SER  18   8.733   4.846   0.360
  120   1HB   SER  18          2HB       SER  18   8.754   6.740  -1.007
  121   2HB   SER  18          1HB       SER  18   8.064   5.516  -2.069
  122    HG   SER  18           HG       SER  18   6.974   7.815  -1.193
  123    H    ASP  19           H        ASP  19   8.303   4.946   2.390
  124    HA   ASP  19           HA       ASP  19   7.284   7.147   3.648
  125   1HB   ASP  19          2HB       ASP  19   5.071   6.165   2.687
  126   2HB   ASP  19          1HB       ASP  19   5.245   4.943   3.938
  127    H    GLY  20           H        GLY  20   7.934   3.767   3.573
  128   1HA   GLY  20          2HA       GLY  20   9.507   2.759   5.042
  129   2HA   GLY  20          1HA       GLY  20   9.011   3.893   6.296
  130    H    ILE  21           H        ILE  21   6.739   2.247   4.201
  131    HA   ILE  21           HA       ILE  21   5.956   0.586   6.515
  132    HB   ILE  21           HB       ILE  21   4.078   1.954   4.604
  133   1HG1  ILE  21          2HG1      ILE  21   5.381   2.868   6.998
  134   2HG1  ILE  21          1HG1      ILE  21   4.285   3.742   5.935
  135   1HG2  ILE  21          1HG2      ILE  21   3.564   0.202   7.001
  136   2HG2  ILE  21          2HG2      ILE  21   3.181  -0.158   5.317
  137   3HG2  ILE  21          3HG2      ILE  21   2.328   1.136   6.159
  138   1HD1  ILE  21          1HD1      ILE  21   2.410   3.130   7.206
  139   2HD1  ILE  21          2HD1      ILE  21   3.650   3.588   8.375
  140   3HD1  ILE  21          3HD1      ILE  21   3.305   1.884   8.076
  141    H    THR  22           H        THR  22   5.117  -1.421   6.142
  142    HA   THR  22           HA       THR  22   5.493  -2.471   3.417
  143    HB   THR  22           HB       THR  22   5.359  -4.114   5.946
  144    HG1  THR  22           1HG      THR  22   7.740  -4.125   5.610
  145   1HG2  THR  22          1HG2      THR  22   5.320  -4.933   3.357
  146   2HG2  THR  22          2HG2      THR  22   5.907  -5.890   4.716
  147   3HG2  THR  22          3HG2      THR  22   7.044  -4.977   3.724
  148    H    TYR  23           H        TYR  23   3.545  -2.165   2.512
  149    HA   TYR  23           HA       TYR  23   1.093  -2.687   3.920
  150   1HB   TYR  23          2HB       TYR  23   1.505  -2.081   0.995
  151   2HB   TYR  23          1HB       TYR  23   0.032  -1.857   1.938
  152    HD1  TYR  23           1HD      TYR  23   3.186  -0.426   0.952
  153    HD2  TYR  23           2HD      TYR  23   0.019  -0.136   3.779
  154    HE1  TYR  23           1HE      TYR  23   3.944   1.832   1.561
  155    HE2  TYR  23           2HE      TYR  23   0.765   2.128   4.385
  156    HH   TYR  23           HH       TYR  23   2.249   3.728   4.042
  157    H    GLY  24           H        GLY  24   0.062  -4.532   4.056
  158   1HA   GLY  24          2HA       GLY  24   0.849  -7.001   3.289
  159   2HA   GLY  24          1HA       GLY  24  -0.847  -6.570   3.459
  160    H    ASN  25           H        ASN  25  -0.569  -4.608   1.276
  161    HA   ASN  25           HA       ASN  25   0.212  -5.902  -1.090
  162   1HB   ASN  25          2HB       ASN  25  -2.294  -6.015  -1.953
  163   2HB   ASN  25          1HB       ASN  25  -1.524  -7.385  -1.164
  164   1HD2  ASN  25          1HD2      ASN  25  -2.933  -8.373   0.081
  165   2HD2  ASN  25          2HD2      ASN  25  -4.076  -7.611   1.124
  166    H    ALA  26           H        ALA  26  -0.050  -4.614  -2.923
  167    HA   ALA  26           HA       ALA  26   0.174  -1.909  -2.652
  168   1HB   ALA  26          1HB       ALA  26  -0.846  -3.489  -5.006
  169   2HB   ALA  26          2HB       ALA  26   0.806  -2.950  -4.702
  170   3HB   ALA  26          3HB       ALA  26  -0.452  -1.772  -5.076
  171    H    CYS  27           H        CYS  27  -2.686  -3.808  -2.628
  172    HA   CYS  27           HA       CYS  27  -4.492  -1.630  -3.133
  173   1HB   CYS  27          2HB       CYS  27  -4.766  -4.521  -2.514
  174   2HB   CYS  27          1HB       CYS  27  -6.113  -3.479  -2.061
  175    H    MET  28           H        MET  28  -3.557  -3.553  -0.284
  176    HA   MET  28           HA       MET  28  -4.994  -2.234   1.684
  177   1HB   MET  28          2HB       MET  28  -2.263  -3.448   1.569
  178   2HB   MET  28          1HB       MET  28  -2.713  -2.533   2.999
  179   1HG   MET  28          2HG       MET  28  -4.785  -4.402   2.290
  180   2HG   MET  28          1HG       MET  28  -3.236  -5.215   2.497
  181   1HE   MET  28          1HE       MET  28  -1.658  -4.182   4.913
  182   2HE   MET  28          2HE       MET  28  -2.204  -5.807   4.503
  183   3HE   MET  28          3HE       MET  28  -2.487  -5.165   6.121
  184    H    LEU  29           H        LEU  29  -2.147  -1.436  -0.091
  185    HA   LEU  29           HA       LEU  29  -1.295   0.907   1.130
  186   1HB   LEU  29          2HB       LEU  29  -0.790  -0.589  -1.210
  187   2HB   LEU  29          1HB       LEU  29  -1.065   1.053  -1.723
  188    HG   LEU  29           HG       LEU  29   1.119  -0.055  -0.030
  189   1HD1  LEU  29          1HD1      LEU  29   1.445   0.332  -2.429
  190   2HD1  LEU  29          2HD1      LEU  29   2.478   1.374  -1.450
  191   3HD1  LEU  29          3HD1      LEU  29   1.026   2.029  -2.204
  192   1HD2  LEU  29          1HD2      LEU  29  -0.046   2.703   0.160
  193   2HD2  LEU  29          2HD2      LEU  29   1.651   2.393   0.519
  194   3HD2  LEU  29          3HD2      LEU  29   0.391   1.603   1.461
  195    H    LEU  30           H        LEU  30  -3.446   0.391  -1.613
  196    HA   LEU  30           HA       LEU  30  -4.181   2.999  -2.112
  197   1HB   LEU  30          2HB       LEU  30  -5.553   0.358  -2.399
  198   2HB   LEU  30          1HB       LEU  30  -6.500   1.813  -2.635
  199    HG   LEU  30           HG       LEU  30  -3.929   1.497  -4.115
  200   1HD1  LEU  30          1HD1      LEU  30  -5.611   0.542  -5.943
  201   2HD1  LEU  30          2HD1      LEU  30  -6.390  -0.103  -4.498
  202   3HD1  LEU  30          3HD1      LEU  30  -4.709  -0.504  -4.847
  203   1HD2  LEU  30          1HD2      LEU  30  -4.872   3.590  -4.475
  204   2HD2  LEU  30          2HD2      LEU  30  -6.518   2.958  -4.481
  205   3HD2  LEU  30          3HD2      LEU  30  -5.453   2.656  -5.854
  206    H    CYS  31           H        CYS  31  -5.111   0.820   0.473
  207    HA   CYS  31           HA       CYS  31  -7.205   2.554   1.458
  208   1HB   CYS  31          2HB       CYS  31  -6.982   0.011   1.862
  209   2HB   CYS  31          1HB       CYS  31  -5.792   0.439   3.087
  210    H    ALA  32           H        ALA  32  -3.799   2.150   1.850
  211    HA   ALA  32           HA       ALA  32  -3.460   3.684   4.212
  212   1HB   ALA  32          1HB       ALA  32  -1.843   2.051   2.776
  213   2HB   ALA  32          2HB       ALA  32  -1.276   3.180   4.005
  214   3HB   ALA  32          3HB       ALA  32  -1.234   3.636   2.302
  215    H    SER  33           H        SER  33  -2.640   4.426   0.827
  216    HA   SER  33           HA       SER  33  -2.277   7.185   1.268
  217   1HB   SER  33          2HB       SER  33  -2.492   5.400  -1.070
  218   2HB   SER  33          1HB       SER  33  -2.971   7.072  -1.366
  219    HG   SER  33           HG       SER  33  -0.774   7.226   0.021
  220    H    ALA  34           H        ALA  34  -5.083   5.305   1.207
  221    HA   ALA  34           HA       ALA  34  -6.856   7.357   0.229
  222   1HB   ALA  34          1HB       ALA  34  -7.215   4.581   1.268
  223   2HB   ALA  34          2HB       ALA  34  -7.639   5.256  -0.305
  224   3HB   ALA  34          3HB       ALA  34  -8.604   5.657   1.116
  225    H    ARG  35           H        ARG  35  -5.745   6.233   3.371
  226    HA   ARG  35           HA       ARG  35  -7.192   8.469   4.585
  227   1HB   ARG  35          2HB       ARG  35  -7.753   6.841   6.527
  228   2HB   ARG  35          1HB       ARG  35  -8.772   6.856   5.094
  229   1HG   ARG  35          2HG       ARG  35  -8.322   4.585   5.818
  230   2HG   ARG  35          1HG       ARG  35  -7.602   4.894   4.235
  231   1HD   ARG  35          2HD       ARG  35  -6.077   3.647   5.687
  232   2HD   ARG  35          1HD       ARG  35  -5.425   5.232   5.273
  233    HE   ARG  35           HE       ARG  35  -5.645   5.882   7.485
  234   1HH1  ARG  35          1HH1      ARG  35  -7.099   2.758   6.977
  235   2HH1  ARG  35          2HH1      ARG  35  -7.261   2.416   8.668
  236   1HH2  ARG  35          1HH2      ARG  35  -5.857   5.441   9.714
  237   2HH2  ARG  35          2HH2      ARG  35  -6.555   3.939  10.222
  238    H    SER  36           H        SER  36  -4.345   7.896   4.026
  239    HA   SER  36           HA       SER  36  -3.227   7.501   6.684
  240   1HB   SER  36          2HB       SER  36  -2.158   6.357   4.816
  241   2HB   SER  36          1HB       SER  36  -1.878   7.892   4.003
  242    HG   SER  36           HG       SER  36  -0.278   8.331   5.343
  243    H    ASP  37           H        ASP  37  -1.641   9.643   4.451
  244    HA   ASP  37           HA       ASP  37  -2.612  12.106   5.297
  245   1HB   ASP  37          2HB       ASP  37  -0.569  12.719   6.751
  246   2HB   ASP  37          1HB       ASP  37  -1.862  11.781   7.491
  247    H    THR  38           H        THR  38   0.113  10.191   4.231
  248    HA   THR  38           HA       THR  38   0.871  12.383   2.419
  249    HB   THR  38           HB       THR  38   2.823  10.420   3.620
  250    HG1  THR  38           1HG      THR  38   3.423  12.516   4.760
  251   1HG2  THR  38          1HG2      THR  38   4.526  11.701   2.752
  252   2HG2  THR  38          2HG2      THR  38   3.497  13.117   2.540
  253   3HG2  THR  38          3HG2      THR  38   3.329  11.735   1.456
  254    HA   PRO  39           HA       PRO  39   0.042   9.431  -0.773
  255   1HB   PRO  39          2HB       PRO  39   1.954  11.037  -2.361
  256   2HB   PRO  39          1HB       PRO  39   0.259  10.661  -2.685
  257   1HG   PRO  39          2HG       PRO  39   1.018  13.107  -1.907
  258   2HG   PRO  39          1HG       PRO  39  -0.517  12.397  -1.373
  259   1HD   PRO  39          2HD       PRO  39   2.061  12.686   0.115
  260   2HD   PRO  39          1HD       PRO  39   0.394  12.871   0.697
  261    H    ILE  40           H        ILE  40   1.167   7.667   0.194
  262    HA   ILE  40           HA       ILE  40   3.961   7.306   0.107
  263    HB   ILE  40           HB       ILE  40   3.481   4.958   0.567
  264   1HG1  ILE  40          2HG1      ILE  40   1.082   5.569  -0.878
  265   2HG1  ILE  40          1HG1      ILE  40   1.675   4.000  -0.359
  266   1HG2  ILE  40          1HG2      ILE  40   2.294   5.253   2.637
  267   2HG2  ILE  40          2HG2      ILE  40   1.538   6.730   2.045
  268   3HG2  ILE  40          3HG2      ILE  40   3.276   6.687   2.347
  269   1HD1  ILE  40          1HD1      ILE  40  -0.627   4.536   0.393
  270   2HD1  ILE  40          2HD1      ILE  40   0.044   5.840   1.372
  271   3HD1  ILE  40          3HD1      ILE  40   0.489   4.167   1.708
  272    H    GLU  41           H        GLU  41   5.090   5.608  -1.223
  273    HA   GLU  41           HA       GLU  41   3.849   5.052  -3.806
  274   1HB   GLU  41          2HB       GLU  41   5.911   7.101  -3.410
  275   2HB   GLU  41          1HB       GLU  41   6.287   5.945  -4.679
  276   1HG   GLU  41          2HG       GLU  41   3.693   6.535  -5.236
  277   2HG   GLU  41          1HG       GLU  41   4.282   8.069  -4.598
  278    H    LEU  42           H        LEU  42   4.091   2.916  -3.865
  279    HA   LEU  42           HA       LEU  42   5.649   1.179  -2.648
  280   1HB   LEU  42          2HB       LEU  42   4.384   1.195  -5.191
  281   2HB   LEU  42          1HB       LEU  42   5.919   0.375  -5.338
  282    HG   LEU  42           HG       LEU  42   3.778  -0.984  -4.743
  283   1HD1  LEU  42          1HD1      LEU  42   5.197  -2.629  -4.218
  284   2HD1  LEU  42          2HD1      LEU  42   5.860  -1.744  -2.843
  285   3HD1  LEU  42          3HD1      LEU  42   6.458  -1.422  -4.471
  286   1HD2  LEU  42          1HD2      LEU  42   2.886  -0.779  -2.708
  287   2HD2  LEU  42          2HD2      LEU  42   3.733   0.766  -2.633
  288   3HD2  LEU  42          3HD2      LEU  42   4.463  -0.676  -1.929
  289    H    VAL  43           H        VAL  43   7.654   0.216  -2.803
  290    HA   VAL  43           HA       VAL  43   9.661   1.514  -4.495
  291    HB   VAL  43           HB       VAL  43  10.293   1.060  -1.598
  292   1HG1  VAL  43          1HG1      VAL  43  11.994   2.809  -2.080
  293   2HG1  VAL  43          2HG1      VAL  43  11.481   2.783  -3.767
  294   3HG1  VAL  43          3HG1      VAL  43  12.190   1.342  -3.039
  295   1HG2  VAL  43          1HG2      VAL  43   8.580   2.572  -1.283
  296   2HG2  VAL  43          2HG2      VAL  43   8.860   3.372  -2.829
  297   3HG2  VAL  43          3HG2      VAL  43   9.969   3.642  -1.485
  298    H    HIS  44           H        HIS  44   8.866  -1.082  -2.251
  299    HA   HIS  44           HA       HIS  44  10.322  -2.954  -3.888
  300   1HB   HIS  44          2HB       HIS  44  11.188  -3.632  -1.300
  301   2HB   HIS  44          1HB       HIS  44  12.173  -3.049  -2.638
  302    HD1  HIS  44           1HD      HIS  44  12.646  -0.452  -2.694
  303    HD2  HIS  44           2HD      HIS  44  10.830  -1.856   0.770
  304    HE1  HIS  44           1HE      HIS  44  12.889   1.402  -1.015
  305    HE2  HIS  44           2HE      HIS  44  11.654   0.588   1.020
  306    H    LYS  45           H        LYS  45   9.063  -4.655  -4.110
  307    HA   LYS  45           HA       LYS  45   6.742  -5.050  -2.526
  308   1HB   LYS  45          2HB       LYS  45   8.048  -6.941  -4.491
  309   2HB   LYS  45          1HB       LYS  45   6.405  -7.063  -3.879
  310   1HG   LYS  45          2HG       LYS  45   6.012  -4.769  -4.891
  311   2HG   LYS  45          1HG       LYS  45   7.552  -4.993  -5.724
  312   1HD   LYS  45          2HD       LYS  45   5.923  -5.723  -7.251
  313   2HD   LYS  45          1HD       LYS  45   6.589  -7.202  -6.558
  314   1HE   LYS  45          2HE       LYS  45   4.695  -7.314  -5.004
  315   2HE   LYS  45          1HE       LYS  45   4.028  -5.848  -5.719
  316   1HZ   LYS  45          1HZ       LYS  45   3.043  -7.953  -6.559
  317   2HZ   LYS  45          2HZ       LYS  45   4.539  -8.336  -7.250
  318   3HZ   LYS  45          3HZ       LYS  45   3.693  -6.967  -7.773
  319    H    GLY  46           H        GLY  46   8.084  -5.062  -0.462
  320   1HA   GLY  46          2HA       GLY  46   7.989  -7.583   0.720
  321   2HA   GLY  46          1HA       GLY  46   9.658  -7.291   0.243
  322    H    ARG  47           H        ARG  47   9.797  -7.496   2.706
  323    HA   ARG  47           HA       ARG  47   8.923  -5.174   4.172
  324   1HB   ARG  47          2HB       ARG  47  10.911  -7.179   5.205
  325   2HB   ARG  47          1HB       ARG  47   9.722  -6.243   6.102
  326   1HG   ARG  47          2HG       ARG  47   7.944  -7.608   5.365
  327   2HG   ARG  47          1HG       ARG  47   8.950  -8.377   4.135
  328   1HD   ARG  47          2HD       ARG  47   9.577  -9.943   5.580
  329   2HD   ARG  47          1HD       ARG  47  10.180  -8.712   6.690
  330    HE   ARG  47           HE       ARG  47   7.398  -8.850   6.950
  331   1HH1  ARG  47          1HH1      ARG  47  10.227 -10.773   7.586
  332   2HH1  ARG  47          2HH1      ARG  47   9.508 -11.631   8.907
  333   1HH2  ARG  47          1HH2      ARG  47   6.437  -9.974   8.690
  334   2HH2  ARG  47          2HH2      ARG  47   7.352 -11.178   9.534
  335    H    CYS  48           H        CYS  48  10.210  -4.037   2.292
  336    HA   CYS  48           HA       CYS  48  12.065  -2.860   1.607
  337   1HB   CYS  48          2HB       CYS  48  11.659  -2.328   4.517
  338   2HB   CYS  48          1HB       CYS  48  12.965  -1.525   3.655
  Start of MODEL    6
    1   1H    LYS   1          1HT       LYS   1 -12.780   5.769  -6.144
    2   2H    LYS   1          2HT       LYS   1 -13.923   6.692  -7.034
    3   3H    LYS   1          3HT       LYS   1 -12.499   7.436  -6.430
    4    HA   LYS   1           HA       LYS   1 -12.937   5.927  -8.802
    5   1HB   LYS   1          2HB       LYS   1 -12.153   8.050  -9.190
    6   2HB   LYS   1          1HB       LYS   1 -11.205   8.087  -7.710
    7   1HG   LYS   1          2HG       LYS   1  -9.383   7.110  -8.688
    8   2HG   LYS   1          1HG       LYS   1 -10.348   6.265  -9.900
    9   1HD   LYS   1          2HD       LYS   1 -10.075   9.258  -9.883
   10   2HD   LYS   1          1HD       LYS   1  -8.904   8.219 -10.696
   11   1HE   LYS   1          2HE       LYS   1 -11.871   8.196 -11.235
   12   2HE   LYS   1          1HE       LYS   1 -10.691   9.092 -12.192
   13   1HZ   LYS   1          1HZ       LYS   1  -9.593   6.695 -12.265
   14   2HZ   LYS   1          2HZ       LYS   1 -10.748   7.198 -13.396
   15   3HZ   LYS   1          3HZ       LYS   1 -11.210   6.226 -12.090
   16    HA   PRO   2           HA       PRO   2  -8.825   3.839  -7.492
   17   1HB   PRO   2          2HB       PRO   2  -7.796   4.318  -5.053
   18   2HB   PRO   2          1HB       PRO   2  -7.507   5.400  -6.421
   19   1HG   PRO   2          2HG       PRO   2  -9.437   5.685  -4.155
   20   2HG   PRO   2          1HG       PRO   2  -8.412   6.914  -4.915
   21   1HD   PRO   2          2HD       PRO   2 -11.079   6.585  -5.467
   22   2HD   PRO   2          1HD       PRO   2  -9.911   7.294  -6.601
   23    H    ASP   3           H        ASP   3  -8.034   2.273  -5.544
   24    HA   ASP   3           HA       ASP   3 -10.487   0.926  -4.639
   25   1HB   ASP   3          2HB       ASP   3  -8.097  -0.016  -5.931
   26   2HB   ASP   3          1HB       ASP   3  -8.285  -0.821  -4.376
   27    H    ALA   4           H        ALA   4  -9.759   2.990  -3.059
   28    HA   ALA   4           HA       ALA   4  -7.976   2.903  -1.087
   29   1HB   ALA   4          1HB       ALA   4  -9.980   3.613   0.461
   30   2HB   ALA   4          2HB       ALA   4 -10.857   3.642  -1.070
   31   3HB   ALA   4          3HB       ALA   4  -9.428   4.653  -0.853
   32    HA   PRO   5           HA       PRO   5 -11.079  -0.287   1.399
   33   1HB   PRO   5          2HB       PRO   5 -11.018  -1.857  -1.165
   34   2HB   PRO   5          1HB       PRO   5 -12.194  -1.922   0.156
   35   1HG   PRO   5          2HG       PRO   5 -12.650  -0.502  -2.096
   36   2HG   PRO   5          1HG       PRO   5 -13.261   0.005  -0.512
   37   1HD   PRO   5          2HD       PRO   5 -11.195   1.238  -2.171
   38   2HD   PRO   5          1HD       PRO   5 -12.017   1.891  -0.740
   39    H    CYS   6           H        CYS   6  -9.701  -1.332   2.687
   40    HA   CYS   6           HA       CYS   6  -7.156  -2.237   1.596
   41   1HB   CYS   6          2HB       CYS   6  -7.225  -2.737   4.380
   42   2HB   CYS   6          1HB       CYS   6  -6.317  -1.498   3.526
   43    H    ILE   7           H        ILE   7  -9.194  -3.765   0.724
   44    HA   ILE   7           HA       ILE   7  -8.469  -6.339   1.822
   45    HB   ILE   7           HB       ILE   7 -11.273  -5.279   1.848
   46   1HG1  ILE   7          2HG1      ILE   7  -9.480  -6.508   3.952
   47   2HG1  ILE   7          1HG1      ILE   7 -10.021  -4.834   3.868
   48   1HG2  ILE   7          1HG2      ILE   7 -11.492  -7.846   2.752
   49   2HG2  ILE   7          2HG2      ILE   7 -10.301  -8.021   1.462
   50   3HG2  ILE   7          3HG2      ILE   7 -11.882  -7.323   1.113
   51   1HD1  ILE   7          1HD1      ILE   7 -11.644  -7.273   4.514
   52   2HD1  ILE   7          2HD1      ILE   7 -12.367  -5.709   4.140
   53   3HD1  ILE   7          3HD1      ILE   7 -11.307  -5.879   5.540
   54    H    CYS   8           H        CYS   8  -7.532  -5.819  -0.446
   55    HA   CYS   8           HA       CYS   8  -9.330  -6.216  -2.665
   56   1HB   CYS   8          2HB       CYS   8  -6.547  -5.468  -2.261
   57   2HB   CYS   8          1HB       CYS   8  -6.739  -6.611  -3.580
   58    H    THR   9           H        THR   9  -6.908  -8.029  -0.911
   59    HA   THR   9           HA       THR   9  -8.122 -10.531  -1.360
   60    HB   THR   9           HB       THR   9  -7.227 -10.377  -3.588
   61    HG1  THR   9           1HG      THR   9  -6.674 -12.370  -3.361
   62   1HG2  THR   9          1HG2      THR   9  -4.573  -9.779  -2.325
   63   2HG2  THR   9          2HG2      THR   9  -5.525  -8.705  -3.349
   64   3HG2  THR   9          3HG2      THR   9  -4.821 -10.173  -4.026
   65    H    MET  10           H        MET  10  -6.809 -12.296  -0.408
   66    HA   MET  10           HA       MET  10  -5.207 -11.221   1.780
   67   1HB   MET  10          2HB       MET  10  -6.770 -13.701   1.328
   68   2HB   MET  10          1HB       MET  10  -5.300 -13.887   2.275
   69   1HG   MET  10          2HG       MET  10  -6.390 -11.722   3.468
   70   2HG   MET  10          1HG       MET  10  -7.840 -12.586   2.959
   71   1HE   MET  10          1HE       MET  10  -8.979 -14.050   4.753
   72   2HE   MET  10          2HE       MET  10  -8.424 -12.571   5.538
   73   3HE   MET  10          3HE       MET  10  -8.210 -14.130   6.337
   74    H    GLN  11           H        GLN  11  -4.432 -11.575  -1.131
   75    HA   GLN  11           HA       GLN  11  -2.405 -13.577  -1.185
   76   1HB   GLN  11          2HB       GLN  11  -3.663 -11.984  -3.071
   77   2HB   GLN  11          1HB       GLN  11  -2.021 -11.357  -3.039
   78   1HG   GLN  11          2HG       GLN  11  -1.255 -13.758  -3.310
   79   2HG   GLN  11          1HG       GLN  11  -2.936 -14.141  -3.680
   80   1HE2  GLN  11          1HE2      GLN  11  -0.561 -14.343  -5.361
   81   2HE2  GLN  11          2HE2      GLN  11  -0.877 -13.372  -6.754
   82    H    TYR  12           H        TYR  12  -1.817 -12.570   1.067
   83    HA   TYR  12           HA       TYR  12  -0.570 -10.463   1.853
   84   1HB   TYR  12          2HB       TYR  12  -0.266 -13.131   2.510
   85   2HB   TYR  12          1HB       TYR  12   1.379 -12.610   2.160
   86    HD1  TYR  12           1HD      TYR  12   2.291 -12.642   4.347
   87    HD2  TYR  12           2HD      TYR  12  -1.310 -10.503   3.593
   88    HE1  TYR  12           1HE      TYR  12   2.438 -11.617   6.578
   89    HE2  TYR  12           2HE      TYR  12  -1.172  -9.473   5.821
   90    HH   TYR  12           HH       TYR  12   1.258  -9.114   7.535
   91    H    ASP  13           H        ASP  13   0.004  -9.176   0.041
   92    HA   ASP  13           HA       ASP  13   2.657  -9.801  -1.074
   93   1HB   ASP  13          2HB       ASP  13   0.332  -9.229  -2.458
   94   2HB   ASP  13          1HB       ASP  13   1.138  -7.665  -2.395
   95    HA   PRO  14           HA       PRO  14   2.776  -6.272   2.047
   96   1HB   PRO  14          2HB       PRO  14   5.208  -7.145   3.034
   97   2HB   PRO  14          1HB       PRO  14   3.628  -7.486   3.745
   98   1HG   PRO  14          2HG       PRO  14   5.301  -9.184   1.942
   99   2HG   PRO  14          1HG       PRO  14   4.328  -9.658   3.347
  100   1HD   PRO  14          2HD       PRO  14   3.454 -10.080   0.857
  101   2HD   PRO  14          1HD       PRO  14   2.335  -9.582   2.145
  102    H    VAL  15           H        VAL  15   3.103  -4.816   0.365
  103    HA   VAL  15           HA       VAL  15   5.766  -4.647  -0.827
  104    HB   VAL  15           HB       VAL  15   4.806  -3.170  -2.419
  105   1HG1  VAL  15          1HG1      VAL  15   3.691  -4.741  -3.553
  106   2HG1  VAL  15          2HG1      VAL  15   2.442  -4.870  -2.315
  107   3HG1  VAL  15          3HG1      VAL  15   3.958  -5.754  -2.135
  108   1HG2  VAL  15          1HG2      VAL  15   3.496  -1.769  -0.957
  109   2HG2  VAL  15          2HG2      VAL  15   2.369  -3.092  -0.653
  110   3HG2  VAL  15          3HG2      VAL  15   2.473  -2.374  -2.260
  111    H    CYS  16           H        CYS  16   7.189  -3.303  -0.153
  112    HA   CYS  16           HA       CYS  16   6.619  -1.481   1.979
  113   1HB   CYS  16          2HB       CYS  16   8.867  -2.848   0.988
  114   2HB   CYS  16          1HB       CYS  16   9.214  -1.139   0.861
  115    H    GLY  17           H        GLY  17   5.831   0.474   1.685
  116   1HA   GLY  17          2HA       GLY  17   6.266   1.743  -0.916
  117   2HA   GLY  17          1HA       GLY  17   4.921   2.080   0.152
  118    H    SER  18           H        SER  18   6.962   3.736  -1.174
  119    HA   SER  18           HA       SER  18   8.877   4.780   0.470
  120   1HB   SER  18          2HB       SER  18   8.900   5.644  -1.705
  121   2HB   SER  18          1HB       SER  18   7.177   6.014  -1.679
  122    HG   SER  18           HG       SER  18   9.242   7.366  -0.280
  123    H    ASP  19           H        ASP  19   8.387   4.889   2.507
  124    HA   ASP  19           HA       ASP  19   7.448   7.158   3.698
  125   1HB   ASP  19          2HB       ASP  19   5.263   5.577   2.742
  126   2HB   ASP  19          1HB       ASP  19   5.258   5.518   4.503
  127    H    GLY  20           H        GLY  20   7.921   3.745   3.707
  128   1HA   GLY  20          2HA       GLY  20   9.426   2.741   5.268
  129   2HA   GLY  20          1HA       GLY  20   8.874   3.894   6.478
  130    H    ILE  21           H        ILE  21   6.749   2.111   4.285
  131    HA   ILE  21           HA       ILE  21   5.948   0.444   6.578
  132    HB   ILE  21           HB       ILE  21   4.099   2.126   4.909
  133   1HG1  ILE  21          2HG1      ILE  21   5.207   3.169   6.889
  134   2HG1  ILE  21          1HG1      ILE  21   3.452   3.105   7.017
  135   1HG2  ILE  21          1HG2      ILE  21   3.048  -0.007   5.065
  136   2HG2  ILE  21          2HG2      ILE  21   2.275   1.041   6.253
  137   3HG2  ILE  21          3HG2      ILE  21   3.463  -0.154   6.771
  138   1HD1  ILE  21          1HD1      ILE  21   4.520   0.740   8.169
  139   2HD1  ILE  21          2HD1      ILE  21   3.626   2.047   8.945
  140   3HD1  ILE  21          3HD1      ILE  21   5.383   2.131   8.826
  141    H    THR  22           H        THR  22   5.395  -1.590   6.153
  142    HA   THR  22           HA       THR  22   5.505  -2.479   3.364
  143    HB   THR  22           HB       THR  22   5.398  -4.301   5.758
  144    HG1  THR  22           1HG      THR  22   7.293  -3.644   6.323
  145   1HG2  THR  22          1HG2      THR  22   7.023  -4.763   3.315
  146   2HG2  THR  22          2HG2      THR  22   5.280  -5.028   3.256
  147   3HG2  THR  22          3HG2      THR  22   6.272  -5.923   4.410
  148    H    TYR  23           H        TYR  23   3.536  -2.101   2.556
  149    HA   TYR  23           HA       TYR  23   1.126  -2.613   4.021
  150   1HB   TYR  23          2HB       TYR  23   1.477  -1.945   1.102
  151   2HB   TYR  23          1HB       TYR  23   0.027  -1.723   2.079
  152    HD1  TYR  23           1HD      TYR  23   0.089  -0.052   3.977
  153    HD2  TYR  23           2HD      TYR  23   3.190  -0.322   1.075
  154    HE1  TYR  23           1HE      TYR  23   0.903   2.174   4.639
  155    HE2  TYR  23           2HE      TYR  23   4.004   1.904   1.729
  156    HH   TYR  23           HH       TYR  23   2.375   3.784   4.267
  157    H    GLY  24           H        GLY  24  -0.028  -4.390   4.096
  158   1HA   GLY  24          2HA       GLY  24   0.665  -6.883   3.354
  159   2HA   GLY  24          1HA       GLY  24  -1.014  -6.379   3.467
  160    H    ASN  25           H        ASN  25  -0.551  -4.436   1.270
  161    HA   ASN  25           HA       ASN  25   0.254  -5.745  -1.057
  162   1HB   ASN  25          2HB       ASN  25  -2.247  -5.896  -1.963
  163   2HB   ASN  25          1HB       ASN  25  -1.455  -7.254  -1.173
  164   1HD2  ASN  25          1HD2      ASN  25  -2.864  -8.279   0.084
  165   2HD2  ASN  25          2HD2      ASN  25  -4.014  -7.520   1.124
  166    H    ALA  26           H        ALA  26  -0.002  -4.493  -2.931
  167    HA   ALA  26           HA       ALA  26   0.185  -1.784  -2.696
  168   1HB   ALA  26          1HB       ALA  26  -0.479  -3.604  -4.939
  169   2HB   ALA  26          2HB       ALA  26   0.836  -2.439  -4.773
  170   3HB   ALA  26          3HB       ALA  26  -0.789  -1.885  -5.176
  171    H    CYS  27           H        CYS  27  -2.655  -3.724  -2.670
  172    HA   CYS  27           HA       CYS  27  -4.494  -1.580  -3.184
  173   1HB   CYS  27          2HB       CYS  27  -4.691  -4.460  -2.619
  174   2HB   CYS  27          1HB       CYS  27  -6.013  -3.491  -1.975
  175    H    MET  28           H        MET  28  -3.568  -3.480  -0.318
  176    HA   MET  28           HA       MET  28  -4.962  -2.154   1.662
  177   1HB   MET  28          2HB       MET  28  -2.221  -3.338   1.506
  178   2HB   MET  28          1HB       MET  28  -2.640  -2.399   2.927
  179   1HG   MET  28          2HG       MET  28  -4.722  -4.285   2.347
  180   2HG   MET  28          1HG       MET  28  -3.163  -5.099   2.471
  181   1HE   MET  28          1HE       MET  28  -5.234  -5.536   5.810
  182   2HE   MET  28          2HE       MET  28  -5.455  -5.772   4.076
  183   3HE   MET  28          3HE       MET  28  -6.153  -4.360   4.872
  184    H    LEU  29           H        LEU  29  -2.067  -1.363  -0.068
  185    HA   LEU  29           HA       LEU  29  -1.262   0.995   1.117
  186   1HB   LEU  29          2HB       LEU  29  -0.736  -0.506  -1.217
  187   2HB   LEU  29          1HB       LEU  29  -1.024   1.130  -1.739
  188    HG   LEU  29           HG       LEU  29   1.221   0.004  -0.180
  189   1HD1  LEU  29          1HD1      LEU  29   1.302   0.757  -2.577
  190   2HD1  LEU  29          2HD1      LEU  29   2.499   1.510  -1.521
  191   3HD1  LEU  29          3HD1      LEU  29   1.056   2.403  -1.996
  192   1HD2  LEU  29          1HD2      LEU  29   0.007   2.694   0.367
  193   2HD2  LEU  29          2HD2      LEU  29   1.714   2.368   0.648
  194   3HD2  LEU  29          3HD2      LEU  29   0.487   1.456   1.516
  195    H    LEU  30           H        LEU  30  -3.350   0.484  -1.674
  196    HA   LEU  30           HA       LEU  30  -4.088   3.088  -2.168
  197   1HB   LEU  30          2HB       LEU  30  -5.476   0.459  -2.489
  198   2HB   LEU  30          1HB       LEU  30  -6.388   1.927  -2.758
  199    HG   LEU  30           HG       LEU  30  -3.929   1.028  -4.253
  200   1HD1  LEU  30          1HD1      LEU  30  -5.948   1.528  -6.043
  201   2HD1  LEU  30          2HD1      LEU  30  -6.795   0.792  -4.683
  202   3HD1  LEU  30          3HD1      LEU  30  -5.458  -0.060  -5.454
  203   1HD2  LEU  30          1HD2      LEU  30  -4.863   3.664  -3.785
  204   2HD2  LEU  30          2HD2      LEU  30  -5.199   3.258  -5.468
  205   3HD2  LEU  30          3HD2      LEU  30  -3.554   3.133  -4.842
  206    H    CYS  31           H        CYS  31  -5.097   0.862   0.349
  207    HA   CYS  31           HA       CYS  31  -7.186   2.589   1.331
  208   1HB   CYS  31          2HB       CYS  31  -6.669  -0.037   1.733
  209   2HB   CYS  31          1HB       CYS  31  -5.935   0.635   3.188
  210    H    ALA  32           H        ALA  32  -3.785   2.084   1.860
  211    HA   ALA  32           HA       ALA  32  -3.462   3.532   4.247
  212   1HB   ALA  32          1HB       ALA  32  -1.494   3.132   1.995
  213   2HB   ALA  32          2HB       ALA  32  -1.738   2.037   3.356
  214   3HB   ALA  32          3HB       ALA  32  -1.101   3.659   3.631
  215    H    SER  33           H        SER  33  -2.871   4.498   0.869
  216    HA   SER  33           HA       SER  33  -2.467   7.228   1.444
  217   1HB   SER  33          2HB       SER  33  -2.459   5.600  -0.855
  218   2HB   SER  33          1HB       SER  33  -3.656   6.857  -1.164
  219    HG   SER  33           HG       SER  33  -1.905   7.929  -1.699
  220    H    ALA  34           H        ALA  34  -5.286   5.309   1.408
  221    HA   ALA  34           HA       ALA  34  -7.112   7.506   0.899
  222   1HB   ALA  34          1HB       ALA  34  -8.383   5.839   0.185
  223   2HB   ALA  34          2HB       ALA  34  -8.533   5.275   1.850
  224   3HB   ALA  34          3HB       ALA  34  -7.244   4.653   0.822
  225    H    ARG  35           H        ARG  35  -5.583   6.163   3.668
  226    HA   ARG  35           HA       ARG  35  -7.436   7.690   5.368
  227   1HB   ARG  35          2HB       ARG  35  -7.110   5.827   7.100
  228   2HB   ARG  35          1HB       ARG  35  -8.199   5.515   5.757
  229   1HG   ARG  35          2HG       ARG  35  -6.972   3.820   5.012
  230   2HG   ARG  35          1HG       ARG  35  -5.465   4.722   5.176
  231   1HD   ARG  35          2HD       ARG  35  -6.853   2.946   7.126
  232   2HD   ARG  35          1HD       ARG  35  -5.149   3.011   6.680
  233    HE   ARG  35           HE       ARG  35  -6.401   4.407   8.807
  234   1HH1  ARG  35          1HH1      ARG  35  -3.908   4.719   6.395
  235   2HH1  ARG  35          2HH1      ARG  35  -2.976   5.846   7.321
  236   1HH2  ARG  35          1HH2      ARG  35  -5.183   5.888  10.031
  237   2HH2  ARG  35          2HH2      ARG  35  -3.700   6.511   9.389
  238    H    SER  36           H        SER  36  -4.332   7.395   4.383
  239    HA   SER  36           HA       SER  36  -3.088   7.805   6.970
  240   1HB   SER  36          2HB       SER  36  -1.935   6.414   5.337
  241   2HB   SER  36          1HB       SER  36  -1.912   7.743   4.182
  242    HG   SER  36           HG       SER  36   0.041   7.353   5.543
  243    H    ASP  37           H        ASP  37  -1.845   9.576   4.263
  244    HA   ASP  37           HA       ASP  37  -3.141  12.016   4.560
  245   1HB   ASP  37          2HB       ASP  37  -1.672  11.506   6.833
  246   2HB   ASP  37          1HB       ASP  37  -0.566  12.488   5.878
  247    H    THR  38           H        THR  38  -0.199  10.274   3.861
  248    HA   THR  38           HA       THR  38   0.418  12.246   1.759
  249    HB   THR  38           HB       THR  38   2.616  10.470   2.419
  250    HG1  THR  38           1HG      THR  38   2.990  11.256   4.488
  251   1HG2  THR  38          1HG2      THR  38   2.167  13.325   1.952
  252   2HG2  THR  38          2HG2      THR  38   3.502  12.282   1.459
  253   3HG2  THR  38          3HG2      THR  38   3.458  12.946   3.093
  254    HA   PRO  39           HA       PRO  39  -0.082   9.011  -1.191
  255   1HB   PRO  39          2HB       PRO  39   1.249  10.054  -3.270
  256   2HB   PRO  39          1HB       PRO  39  -0.244  10.788  -2.672
  257   1HG   PRO  39          2HG       PRO  39   2.593  11.606  -2.198
  258   2HG   PRO  39          1HG       PRO  39   1.174  12.618  -2.522
  259   1HD   PRO  39          2HD       PRO  39   2.224  12.168  -0.015
  260   2HD   PRO  39          1HD       PRO  39   0.539  12.629  -0.326
  261    H    ILE  40           H        ILE  40   1.183   7.411  -0.010
  262    HA   ILE  40           HA       ILE  40   3.905   7.109   0.051
  263    HB   ILE  40           HB       ILE  40   3.539   4.702   0.177
  264   1HG1  ILE  40          2HG1      ILE  40   1.585   5.078  -1.648
  265   2HG1  ILE  40          1HG1      ILE  40   1.720   3.632  -0.662
  266   1HG2  ILE  40          1HG2      ILE  40   3.076   6.081   2.143
  267   2HG2  ILE  40          2HG2      ILE  40   2.028   4.664   2.084
  268   3HG2  ILE  40          3HG2      ILE  40   1.397   6.246   1.629
  269   1HD1  ILE  40          1HD1      ILE  40   0.141   4.654   0.951
  270   2HD1  ILE  40          2HD1      ILE  40  -0.547   4.378  -0.649
  271   3HD1  ILE  40          3HD1      ILE  40  -0.058   6.003  -0.168
  272    H    GLU  41           H        GLU  41   5.385   5.869  -1.238
  273    HA   GLU  41           HA       GLU  41   4.542   5.447  -4.024
  274   1HB   GLU  41          2HB       GLU  41   6.725   7.219  -3.044
  275   2HB   GLU  41          1HB       GLU  41   7.001   6.316  -4.528
  276   1HG   GLU  41          2HG       GLU  41   5.060   7.304  -5.546
  277   2HG   GLU  41          1HG       GLU  41   4.643   8.116  -4.038
  278    H    LEU  42           H        LEU  42   4.583   3.259  -3.920
  279    HA   LEU  42           HA       LEU  42   5.970   1.466  -2.599
  280   1HB   LEU  42          2HB       LEU  42   4.911   1.495  -5.255
  281   2HB   LEU  42          1HB       LEU  42   6.355   0.517  -5.194
  282    HG   LEU  42           HG       LEU  42   4.070  -0.618  -4.778
  283   1HD1  LEU  42          1HD1      LEU  42   5.703  -1.436  -2.536
  284   2HD1  LEU  42          2HD1      LEU  42   6.658  -1.191  -3.997
  285   3HD1  LEU  42          3HD1      LEU  42   5.292  -2.307  -4.014
  286   1HD2  LEU  42          1HD2      LEU  42   3.912   1.308  -2.805
  287   2HD2  LEU  42          2HD2      LEU  42   4.340  -0.160  -1.927
  288   3HD2  LEU  42          3HD2      LEU  42   2.902  -0.131  -2.947
  289    H    VAL  43           H        VAL  43   7.918   0.415  -2.577
  290    HA   VAL  43           HA       VAL  43  10.108   1.654  -4.100
  291    HB   VAL  43           HB       VAL  43  10.619   0.863  -1.274
  292   1HG1  VAL  43          1HG1      VAL  43  11.747   3.078  -2.978
  293   2HG1  VAL  43          2HG1      VAL  43  12.449   1.465  -2.836
  294   3HG1  VAL  43          3HG1      VAL  43  12.360   2.516  -1.422
  295   1HG2  VAL  43          1HG2      VAL  43  10.049   3.039  -0.434
  296   2HG2  VAL  43          2HG2      VAL  43   8.628   2.319  -1.191
  297   3HG2  VAL  43          3HG2      VAL  43   9.541   3.566  -2.039
  298    H    HIS  44           H        HIS  44   9.043  -1.046  -2.090
  299    HA   HIS  44           HA       HIS  44  10.449  -2.887  -3.809
  300   1HB   HIS  44          2HB       HIS  44  11.148  -3.781  -1.231
  301   2HB   HIS  44          1HB       HIS  44  12.227  -3.202  -2.495
  302    HD1  HIS  44           1HD      HIS  44  12.890  -0.644  -2.385
  303    HD2  HIS  44           2HD      HIS  44  10.845  -2.096   0.926
  304    HE1  HIS  44           1HE      HIS  44  13.201   1.089  -0.591
  305    HE2  HIS  44           2HE      HIS  44  11.845   0.257   1.351
  306    H    LYS  45           H        LYS  45   9.101  -4.497  -4.201
  307    HA   LYS  45           HA       LYS  45   6.705  -4.854  -2.713
  308   1HB   LYS  45          2HB       LYS  45   6.225  -6.671  -4.234
  309   2HB   LYS  45          1HB       LYS  45   6.880  -5.312  -5.139
  310   1HG   LYS  45          2HG       LYS  45   9.138  -6.715  -4.610
  311   2HG   LYS  45          1HG       LYS  45   7.948  -8.013  -4.748
  312   1HD   LYS  45          2HD       LYS  45   7.947  -7.822  -6.964
  313   2HD   LYS  45          1HD       LYS  45   7.519  -6.113  -6.842
  314   1HE   LYS  45          2HE       LYS  45  10.095  -5.902  -6.248
  315   2HE   LYS  45          1HE       LYS  45  10.178  -7.393  -7.187
  316   1HZ   LYS  45          1HZ       LYS  45   9.494  -4.683  -8.053
  317   2HZ   LYS  45          2HZ       LYS  45   8.732  -5.975  -8.836
  318   3HZ   LYS  45          3HZ       LYS  45  10.420  -5.864  -8.833
  319    H    GLY  46           H        GLY  46   8.012  -5.104  -0.638
  320   1HA   GLY  46          2HA       GLY  46   7.730  -7.719   0.321
  321   2HA   GLY  46          1HA       GLY  46   9.430  -7.454  -0.056
  322    H    ARG  47           H        ARG  47   9.629  -7.803   2.328
  323    HA   ARG  47           HA       ARG  47   8.702  -5.600   3.970
  324   1HB   ARG  47          2HB       ARG  47  10.588  -7.758   4.885
  325   2HB   ARG  47          1HB       ARG  47   9.432  -6.834   5.835
  326   1HG   ARG  47          2HG       ARG  47   7.747  -8.060   4.145
  327   2HG   ARG  47          1HG       ARG  47   9.044  -9.256   4.205
  328   1HD   ARG  47          2HD       ARG  47   7.998  -9.990   6.049
  329   2HD   ARG  47          1HD       ARG  47   8.772  -8.617   6.835
  330    HE   ARG  47           HE       ARG  47   6.732  -7.516   6.893
  331   1HH1  ARG  47          1HH1      ARG  47   6.469 -10.498   5.106
  332   2HH1  ARG  47          2HH1      ARG  47   4.738 -10.486   5.092
  333   1HH2  ARG  47          1HH2      ARG  47   4.450  -7.492   6.874
  334   2HH2  ARG  47          2HH2      ARG  47   3.591  -8.777   6.092
  335    H    CYS  48           H        CYS  48  10.100  -4.360   2.231
  336    HA   CYS  48           HA       CYS  48  12.014  -3.192   1.727
  337   1HB   CYS  48          2HB       CYS  48  11.462  -2.895   4.639
  338   2HB   CYS  48          1HB       CYS  48  12.898  -2.130   3.969
  Start of MODEL    7
    1   1H    LYS   1          1HT       LYS   1  -8.635  10.578 -10.887
    2   2H    LYS   1          2HT       LYS   1  -8.544   9.236  -9.821
    3   3H    LYS   1          3HT       LYS   1  -8.331   9.010 -11.510
    4    HA   LYS   1           HA       LYS   1  -6.229   9.480 -11.421
    5   1HB   LYS   1          2HB       LYS   1  -7.412  11.885 -10.285
    6   2HB   LYS   1          1HB       LYS   1  -5.806  11.577  -9.640
    7   1HG   LYS   1          2HG       LYS   1  -5.026  11.343 -12.028
    8   2HG   LYS   1          1HG       LYS   1  -6.601  11.977 -12.508
    9   1HD   LYS   1          2HD       LYS   1  -6.202  14.037 -11.367
   10   2HD   LYS   1          1HD       LYS   1  -4.744  13.396 -10.606
   11   1HE   LYS   1          2HE       LYS   1  -3.483  13.682 -12.467
   12   2HE   LYS   1          1HE       LYS   1  -4.823  13.329 -13.558
   13   1HZ   LYS   1          1HZ       LYS   1  -3.805  15.828 -12.809
   14   2HZ   LYS   1          2HZ       LYS   1  -5.389  15.722 -12.227
   15   3HZ   LYS   1          3HZ       LYS   1  -5.077  15.490 -13.872
   16    HA   PRO   2           HA       PRO   2  -5.100   8.997  -6.788
   17   1HB   PRO   2          2HB       PRO   2  -6.967   9.549  -4.908
   18   2HB   PRO   2          1HB       PRO   2  -5.911  10.790  -5.592
   19   1HG   PRO   2          2HG       PRO   2  -8.745  10.120  -6.290
   20   2HG   PRO   2          1HG       PRO   2  -7.994  11.711  -6.068
   21   1HD   PRO   2          2HD       PRO   2  -8.440  10.632  -8.514
   22   2HD   PRO   2          1HD       PRO   2  -7.068  11.707  -8.177
   23    H    ASP   3           H        ASP   3  -6.163   7.721  -4.698
   24    HA   ASP   3           HA       ASP   3  -7.948   5.638  -5.726
   25   1HB   ASP   3          2HB       ASP   3  -5.351   5.031  -4.300
   26   2HB   ASP   3          1HB       ASP   3  -6.517   3.855  -4.900
   27    H    ALA   4           H        ALA   4  -8.169   3.958  -3.694
   28    HA   ALA   4           HA       ALA   4  -8.186   5.076  -1.112
   29   1HB   ALA   4          1HB       ALA   4 -10.105   6.176  -1.022
   30   2HB   ALA   4          2HB       ALA   4 -10.978   4.754  -1.594
   31   3HB   ALA   4          3HB       ALA   4 -10.315   5.906  -2.752
   32    HA   PRO   5           HA       PRO   5 -10.822   0.917  -1.209
   33   1HB   PRO   5          2HB       PRO   5 -10.250   0.186  -4.038
   34   2HB   PRO   5          1HB       PRO   5 -11.716  -0.070  -3.085
   35   1HG   PRO   5          2HG       PRO   5 -11.619   1.829  -4.950
   36   2HG   PRO   5          1HG       PRO   5 -12.470   2.097  -3.417
   37   1HD   PRO   5          2HD       PRO   5  -9.808   3.112  -4.314
   38   2HD   PRO   5          1HD       PRO   5 -11.048   3.911  -3.327
   39    H    CYS   6           H        CYS   6  -9.976  -1.436  -1.595
   40    HA   CYS   6           HA       CYS   6  -7.260  -1.785  -2.328
   41   1HB   CYS   6          2HB       CYS   6  -6.341  -2.242  -0.077
   42   2HB   CYS   6          1HB       CYS   6  -6.813  -0.557  -0.282
   43    H    ILE   7           H        ILE   7  -8.587  -3.437  -3.430
   44    HA   ILE   7           HA       ILE   7  -8.799  -5.827  -1.735
   45    HB   ILE   7           HB       ILE   7 -10.763  -5.026  -3.874
   46   1HG1  ILE   7          2HG1      ILE   7 -12.376  -5.200  -1.917
   47   2HG1  ILE   7          1HG1      ILE   7 -10.964  -5.263  -0.867
   48   1HG2  ILE   7          1HG2      ILE   7 -11.527  -7.310  -2.314
   49   2HG2  ILE   7          2HG2      ILE   7  -9.949  -7.585  -3.052
   50   3HG2  ILE   7          3HG2      ILE   7 -11.333  -7.168  -4.062
   51   1HD1  ILE   7          1HD1      ILE   7 -12.297  -2.998  -1.773
   52   2HD1  ILE   7          2HD1      ILE   7 -10.783  -3.037  -2.677
   53   3HD1  ILE   7          3HD1      ILE   7 -10.759  -3.061  -0.914
   54    H    CYS   8           H        CYS   8  -6.512  -5.623  -2.942
   55    HA   CYS   8           HA       CYS   8  -6.568  -6.682  -5.631
   56   1HB   CYS   8          2HB       CYS   8  -4.373  -5.992  -3.686
   57   2HB   CYS   8          1HB       CYS   8  -4.038  -6.810  -5.205
   58    H    THR   9           H        THR   9  -5.902  -7.776  -2.374
   59    HA   THR   9           HA       THR   9  -6.563 -10.459  -2.945
   60    HB   THR   9           HB       THR   9  -4.456 -10.666  -3.984
   61    HG1  THR   9           1HG      THR   9  -4.849 -12.331  -2.510
   62   1HG2  THR   9          1HG2      THR   9  -2.857  -9.189  -3.600
   63   2HG2  THR   9          2HG2      THR   9  -2.488 -10.092  -2.130
   64   3HG2  THR   9          3HG2      THR   9  -3.584  -8.711  -2.065
   65    H    MET  10           H        MET  10  -6.969 -11.584  -1.117
   66    HA   MET  10           HA       MET  10  -6.558 -10.166   1.410
   67   1HB   MET  10          2HB       MET  10  -8.552 -12.059   0.371
   68   2HB   MET  10          1HB       MET  10  -8.015 -12.430   2.002
   69   1HG   MET  10          2HG       MET  10 -10.019 -11.025   1.965
   70   2HG   MET  10          1HG       MET  10  -8.658 -10.239   2.764
   71   1HE   MET  10          1HE       MET  10 -11.406 -10.099   0.678
   72   2HE   MET  10          2HE       MET  10 -11.231  -8.793  -0.495
   73   3HE   MET  10          3HE       MET  10 -11.415  -8.419   1.219
   74    H    GLN  11           H        GLN  11  -4.477 -11.578  -0.155
   75    HA   GLN  11           HA       GLN  11  -3.869 -13.909   1.486
   76   1HB   GLN  11          2HB       GLN  11  -2.855 -12.783  -1.072
   77   2HB   GLN  11          1HB       GLN  11  -1.768 -13.796  -0.134
   78   1HG   GLN  11          2HG       GLN  11  -3.344 -15.623  -0.204
   79   2HG   GLN  11          1HG       GLN  11  -4.522 -14.609  -1.036
   80   1HE2  GLN  11          1HE2      GLN  11  -3.150 -17.142  -1.781
   81   2HE2  GLN  11          2HE2      GLN  11  -2.447 -16.830  -3.328
   82    H    TYR  12           H        TYR  12  -1.195 -12.071   0.287
   83    HA   TYR  12           HA       TYR  12  -0.642 -10.438   2.478
   84   1HB   TYR  12          2HB       TYR  12  -0.452 -13.057   3.249
   85   2HB   TYR  12          1HB       TYR  12   1.208 -12.706   2.782
   86    HD1  TYR  12           1HD      TYR  12  -1.441 -12.044   5.194
   87    HD2  TYR  12           2HD      TYR  12   2.506 -11.001   3.993
   88    HE1  TYR  12           1HE      TYR  12  -1.069 -10.964   7.371
   89    HE2  TYR  12           2HE      TYR  12   2.888  -9.918   6.168
   90    HH   TYR  12           HH       TYR  12   0.303  -9.465   8.473
   91    H    ASP  13           H        ASP  13  -0.097  -9.312   0.450
   92    HA   ASP  13           HA       ASP  13   2.585 -10.037  -0.536
   93   1HB   ASP  13          2HB       ASP  13   0.271  -9.557  -2.000
   94   2HB   ASP  13          1HB       ASP  13   1.147  -8.034  -2.105
   95    HA   PRO  14           HA       PRO  14   2.726  -6.249   2.237
   96   1HB   PRO  14          2HB       PRO  14   5.176  -7.025   3.268
   97   2HB   PRO  14          1HB       PRO  14   3.605  -7.310   4.023
   98   1HG   PRO  14          2HG       PRO  14   5.273  -9.148   2.361
   99   2HG   PRO  14          1HG       PRO  14   4.300  -9.507   3.799
  100   1HD   PRO  14          2HD       PRO  14   3.440 -10.131   1.343
  101   2HD   PRO  14          1HD       PRO  14   2.315  -9.556   2.593
  102    H    VAL  15           H        VAL  15   3.066  -4.829   0.564
  103    HA   VAL  15           HA       VAL  15   5.694  -4.767  -0.720
  104    HB   VAL  15           HB       VAL  15   4.694  -3.212  -2.284
  105   1HG1  VAL  15          1HG1      VAL  15   2.491  -4.945  -2.573
  106   2HG1  VAL  15          2HG1      VAL  15   3.817  -5.898  -1.905
  107   3HG1  VAL  15          3HG1      VAL  15   4.041  -5.009  -3.412
  108   1HG2  VAL  15          1HG2      VAL  15   2.296  -3.375  -0.483
  109   2HG2  VAL  15          2HG2      VAL  15   2.224  -2.747  -2.129
  110   3HG2  VAL  15          3HG2      VAL  15   3.230  -1.945  -0.922
  111    H    CYS  16           H        CYS  16   7.131  -3.331  -0.255
  112    HA   CYS  16           HA       CYS  16   6.699  -1.471   1.876
  113   1HB   CYS  16          2HB       CYS  16   8.877  -2.823   0.739
  114   2HB   CYS  16          1HB       CYS  16   9.182  -1.115   0.517
  115    H    GLY  17           H        GLY  17   5.857   0.483   1.615
  116   1HA   GLY  17          2HA       GLY  17   6.123   1.714  -1.033
  117   2HA   GLY  17          1HA       GLY  17   4.801   2.016   0.077
  118    H    SER  18           H        SER  18   6.829   3.683  -1.327
  119    HA   SER  18           HA       SER  18   8.756   4.813   0.182
  120   1HB   SER  18          2HB       SER  18   6.857   5.929  -1.831
  121   2HB   SER  18          1HB       SER  18   7.841   7.063  -0.910
  122    HG   SER  18           HG       SER  18   8.727   4.946  -2.569
  123    H    ASP  19           H        ASP  19   8.485   4.878   2.256
  124    HA   ASP  19           HA       ASP  19   7.587   7.017   3.642
  125   1HB   ASP  19          2HB       ASP  19   5.309   6.709   3.026
  126   2HB   ASP  19          1HB       ASP  19   5.391   4.971   3.299
  127    H    GLY  20           H        GLY  20   8.148   3.639   3.404
  128   1HA   GLY  20          2HA       GLY  20   9.665   2.488   4.795
  129   2HA   GLY  20          1HA       GLY  20   9.319   3.641   6.080
  130    H    ILE  21           H        ILE  21   6.690   2.339   4.244
  131    HA   ILE  21           HA       ILE  21   6.027   0.643   6.576
  132    HB   ILE  21           HB       ILE  21   4.244   2.369   4.884
  133   1HG1  ILE  21          2HG1      ILE  21   3.683   3.455   6.857
  134   2HG1  ILE  21          1HG1      ILE  21   4.102   2.072   7.859
  135   1HG2  ILE  21          1HG2      ILE  21   2.329   1.299   6.114
  136   2HG2  ILE  21          2HG2      ILE  21   3.451   0.023   6.591
  137   3HG2  ILE  21          3HG2      ILE  21   3.096   0.295   4.885
  138   1HD1  ILE  21          1HD1      ILE  21   6.382   2.555   7.761
  139   2HD1  ILE  21          2HD1      ILE  21   5.597   4.117   7.977
  140   3HD1  ILE  21          3HD1      ILE  21   6.184   3.639   6.384
  141    H    THR  22           H        THR  22   5.559  -1.427   6.245
  142    HA   THR  22           HA       THR  22   5.578  -2.436   3.504
  143    HB   THR  22           HB       THR  22   5.426  -4.183   5.940
  144    HG1  THR  22           1HG      THR  22   7.706  -2.818   4.969
  145   1HG2  THR  22          1HG2      THR  22   5.316  -5.227   3.730
  146   2HG2  THR  22          2HG2      THR  22   6.760  -5.699   4.625
  147   3HG2  THR  22          3HG2      THR  22   6.876  -4.511   3.327
  148    H    TYR  23           H        TYR  23   3.612  -2.079   2.682
  149    HA   TYR  23           HA       TYR  23   1.197  -2.500   4.179
  150   1HB   TYR  23          2HB       TYR  23   1.568  -1.933   1.242
  151   2HB   TYR  23          1HB       TYR  23   0.106  -1.681   2.193
  152    HD1  TYR  23           1HD      TYR  23   0.151   0.037   4.051
  153    HD2  TYR  23           2HD      TYR  23   3.279  -0.313   1.189
  154    HE1  TYR  23           1HE      TYR  23   0.961   2.277   4.665
  155    HE2  TYR  23           2HE      TYR  23   4.093   1.925   1.790
  156    HH   TYR  23           HH       TYR  23   3.732   3.750   3.005
  157    H    GLY  24           H        GLY  24   0.088  -4.298   4.362
  158   1HA   GLY  24          2HA       GLY  24   0.765  -6.798   3.666
  159   2HA   GLY  24          1HA       GLY  24  -0.916  -6.298   3.785
  160    H    ASN  25           H        ASN  25  -0.643  -4.431   1.583
  161    HA   ASN  25           HA       ASN  25   0.127  -5.878  -0.745
  162   1HB   ASN  25          2HB       ASN  25  -2.824  -5.691  -0.113
  163   2HB   ASN  25          1HB       ASN  25  -2.196  -6.041  -1.719
  164   1HD2  ASN  25          1HD2      ASN  25  -3.677  -7.496   0.597
  165   2HD2  ASN  25          2HD2      ASN  25  -2.903  -9.036   0.622
  166    H    ALA  26           H        ALA  26   0.054  -4.621  -2.629
  167    HA   ALA  26           HA       ALA  26   0.403  -1.902  -2.406
  168   1HB   ALA  26          1HB       ALA  26  -0.285  -1.911  -4.919
  169   2HB   ALA  26          2HB       ALA  26  -0.339  -3.661  -4.710
  170   3HB   ALA  26          3HB       ALA  26   1.161  -2.783  -4.408
  171    H    CYS  27           H        CYS  27  -2.497  -3.726  -2.546
  172    HA   CYS  27           HA       CYS  27  -4.251  -1.541  -3.166
  173   1HB   CYS  27          2HB       CYS  27  -4.519  -4.416  -2.683
  174   2HB   CYS  27          1HB       CYS  27  -5.827  -3.465  -1.991
  175    H    MET  28           H        MET  28  -3.497  -3.492  -0.299
  176    HA   MET  28           HA       MET  28  -4.968  -2.191   1.630
  177   1HB   MET  28          2HB       MET  28  -2.099  -3.146   1.748
  178   2HB   MET  28          1HB       MET  28  -3.052  -2.720   3.155
  179   1HG   MET  28          2HG       MET  28  -4.620  -4.546   1.775
  180   2HG   MET  28          1HG       MET  28  -2.978  -5.179   1.670
  181   1HE   MET  28          1HE       MET  28  -4.359  -7.061   2.633
  182   2HE   MET  28          2HE       MET  28  -5.628  -6.624   3.778
  183   3HE   MET  28          3HE       MET  28  -4.175  -7.450   4.344
  184    H    LEU  29           H        LEU  29  -2.010  -1.375   0.023
  185    HA   LEU  29           HA       LEU  29  -1.261   0.981   1.286
  186   1HB   LEU  29          2HB       LEU  29  -0.575  -0.509  -1.007
  187   2HB   LEU  29          1HB       LEU  29  -0.882   1.114  -1.561
  188    HG   LEU  29           HG       LEU  29   1.292   0.079   0.163
  189   1HD1  LEU  29          1HD1      LEU  29   2.649   1.320  -1.239
  190   2HD1  LEU  29          2HD1      LEU  29   1.370   2.469  -1.628
  191   3HD1  LEU  29          3HD1      LEU  29   1.339   0.847  -2.321
  192   1HD2  LEU  29          1HD2      LEU  29   1.682   2.487   0.912
  193   2HD2  LEU  29          2HD2      LEU  29   0.412   1.595   1.733
  194   3HD2  LEU  29          3HD2      LEU  29  -0.003   2.765   0.497
  195    H    LEU  30           H        LEU  30  -3.173   0.469  -1.629
  196    HA   LEU  30           HA       LEU  30  -3.891   3.058  -2.189
  197   1HB   LEU  30          2HB       LEU  30  -5.348   0.444  -2.488
  198   2HB   LEU  30          1HB       LEU  30  -6.126   1.944  -2.941
  199    HG   LEU  30           HG       LEU  30  -3.855   0.519  -4.237
  200   1HD1  LEU  30          1HD1      LEU  30  -6.533   1.415  -4.898
  201   2HD1  LEU  30          2HD1      LEU  30  -5.521   0.198  -5.676
  202   3HD1  LEU  30          3HD1      LEU  30  -5.344   1.899  -6.107
  203   1HD2  LEU  30          1HD2      LEU  30  -4.285   3.499  -4.378
  204   2HD2  LEU  30          2HD2      LEU  30  -3.246   2.570  -5.459
  205   3HD2  LEU  30          3HD2      LEU  30  -2.866   2.668  -3.740
  206    H    CYS  31           H        CYS  31  -5.069   0.858   0.268
  207    HA   CYS  31           HA       CYS  31  -7.193   2.596   1.132
  208   1HB   CYS  31          2HB       CYS  31  -6.066  -0.002   1.949
  209   2HB   CYS  31          1HB       CYS  31  -6.657   0.974   3.289
  210    H    ALA  32           H        ALA  32  -3.831   2.063   1.878
  211    HA   ALA  32           HA       ALA  32  -3.642   3.528   4.271
  212   1HB   ALA  32          1HB       ALA  32  -1.363   3.275   4.093
  213   2HB   ALA  32          2HB       ALA  32  -1.375   3.447   2.338
  214   3HB   ALA  32          3HB       ALA  32  -1.928   1.946   3.082
  215    H    SER  33           H        SER  33  -2.848   4.458   0.924
  216    HA   SER  33           HA       SER  33  -2.229   7.116   1.379
  217   1HB   SER  33          2HB       SER  33  -3.838   6.463  -1.052
  218   2HB   SER  33          1HB       SER  33  -2.361   7.414  -0.905
  219    HG   SER  33           HG       SER  33  -2.665   4.781  -1.453
  220    H    ALA  34           H        ALA  34  -5.360   5.560   1.115
  221    HA   ALA  34           HA       ALA  34  -6.763   8.107   1.245
  222   1HB   ALA  34          1HB       ALA  34  -7.958   6.803  -0.159
  223   2HB   ALA  34          2HB       ALA  34  -8.754   6.349   1.348
  224   3HB   ALA  34          3HB       ALA  34  -7.507   5.308   0.663
  225    H    ARG  35           H        ARG  35  -5.398   6.146   3.566
  226    HA   ARG  35           HA       ARG  35  -7.460   6.947   5.517
  227   1HB   ARG  35          2HB       ARG  35  -7.143   4.980   6.754
  228   2HB   ARG  35          1HB       ARG  35  -7.177   4.452   5.078
  229   1HG   ARG  35          2HG       ARG  35  -4.568   4.742   5.295
  230   2HG   ARG  35          1HG       ARG  35  -4.925   4.509   7.007
  231   1HD   ARG  35          2HD       ARG  35  -5.200   2.620   4.729
  232   2HD   ARG  35          1HD       ARG  35  -4.620   2.334   6.368
  233    HE   ARG  35           HE       ARG  35  -7.344   2.177   5.429
  234   1HH1  ARG  35          1HH1      ARG  35  -5.256   2.518   8.196
  235   2HH1  ARG  35          2HH1      ARG  35  -6.432   1.921   9.318
  236   1HH2  ARG  35          1HH2      ARG  35  -8.898   1.387   6.900
  237   2HH2  ARG  35          2HH2      ARG  35  -8.502   1.281   8.583
  238    H    SER  36           H        SER  36  -4.146   7.133   4.662
  239    HA   SER  36           HA       SER  36  -3.304   7.902   7.329
  240   1HB   SER  36          2HB       SER  36  -1.812   6.514   5.987
  241   2HB   SER  36          1HB       SER  36  -1.760   7.745   4.730
  242    HG   SER  36           HG       SER  36  -0.675   7.826   7.334
  243    H    ASP  37           H        ASP  37  -1.914   9.563   4.618
  244    HA   ASP  37           HA       ASP  37  -3.482  11.853   4.519
  245   1HB   ASP  37          2HB       ASP  37  -2.099  13.416   5.880
  246   2HB   ASP  37          1HB       ASP  37  -2.959  12.218   6.843
  247    H    THR  38           H        THR  38  -0.319  10.391   4.298
  248    HA   THR  38           HA       THR  38   0.423  12.316   2.201
  249    HB   THR  38           HB       THR  38   2.080  12.253   3.926
  250    HG1  THR  38           1HG      THR  38   3.655  12.090   2.558
  251   1HG2  THR  38          1HG2      THR  38   1.927  10.364   5.182
  252   2HG2  THR  38          2HG2      THR  38   3.323   9.956   4.186
  253   3HG2  THR  38          3HG2      THR  38   1.733   9.311   3.782
  254    HA   PRO  39           HA       PRO  39  -0.222   9.109  -0.769
  255   1HB   PRO  39          2HB       PRO  39   1.004  10.262  -2.880
  256   2HB   PRO  39          1HB       PRO  39  -0.545  10.838  -2.254
  257   1HG   PRO  39          2HG       PRO  39   2.207  11.916  -1.779
  258   2HG   PRO  39          1HG       PRO  39   0.706  12.795  -2.119
  259   1HD   PRO  39          2HD       PRO  39   1.726  12.522   0.386
  260   2HD   PRO  39          1HD       PRO  39  -0.013  12.665   0.060
  261    H    ILE  40           H        ILE  40   1.124   7.503   0.237
  262    HA   ILE  40           HA       ILE  40   3.889   7.328   0.150
  263    HB   ILE  40           HB       ILE  40   3.600   4.903   0.339
  264   1HG1  ILE  40          2HG1      ILE  40   1.503   5.214  -1.337
  265   2HG1  ILE  40          1HG1      ILE  40   1.744   3.783  -0.348
  266   1HG2  ILE  40          1HG2      ILE  40   1.733   5.043   2.216
  267   2HG2  ILE  40          2HG2      ILE  40   1.959   6.772   1.959
  268   3HG2  ILE  40          3HG2      ILE  40   3.327   5.764   2.431
  269   1HD1  ILE  40          1HD1      ILE  40  -0.094   6.099   0.159
  270   2HD1  ILE  40          2HD1      ILE  40   0.293   4.895   1.389
  271   3HD1  ILE  40          3HD1      ILE  40  -0.510   4.408  -0.102
  272    H    GLU  41           H        GLU  41   5.117   5.660  -1.203
  273    HA   GLU  41           HA       GLU  41   4.095   5.387  -3.926
  274   1HB   GLU  41          2HB       GLU  41   6.373   7.142  -3.161
  275   2HB   GLU  41          1HB       GLU  41   6.525   6.205  -4.642
  276   1HG   GLU  41          2HG       GLU  41   4.598   7.227  -5.582
  277   2HG   GLU  41          1HG       GLU  41   4.183   7.992  -4.048
  278    H    LEU  42           H        LEU  42   4.134   3.192  -3.859
  279    HA   LEU  42           HA       LEU  42   5.608   1.367  -2.672
  280   1HB   LEU  42          2HB       LEU  42   4.277   1.425  -5.163
  281   2HB   LEU  42          1HB       LEU  42   5.784   0.574  -5.385
  282    HG   LEU  42           HG       LEU  42   3.927  -0.947  -4.859
  283   1HD1  LEU  42          1HD1      LEU  42   5.387  -2.296  -3.879
  284   2HD1  LEU  42          2HD1      LEU  42   5.380  -1.331  -2.403
  285   3HD1  LEU  42          3HD1      LEU  42   6.469  -0.912  -3.726
  286   1HD2  LEU  42          1HD2      LEU  42   3.694  -0.432  -2.065
  287   2HD2  LEU  42          2HD2      LEU  42   2.433  -0.465  -3.300
  288   3HD2  LEU  42          3HD2      LEU  42   3.301   1.034  -2.963
  289    H    VAL  43           H        VAL  43   7.565   0.312  -2.835
  290    HA   VAL  43           HA       VAL  43   9.602   1.558  -4.543
  291    HB   VAL  43           HB       VAL  43  10.537   0.839  -1.854
  292   1HG1  VAL  43          1HG1      VAL  43  11.715   1.991  -3.917
  293   2HG1  VAL  43          2HG1      VAL  43  12.147   2.414  -2.262
  294   3HG1  VAL  43          3HG1      VAL  43  11.052   3.448  -3.178
  295   1HG2  VAL  43          1HG2      VAL  43   8.557   3.009  -2.296
  296   2HG2  VAL  43          2HG2      VAL  43   9.851   3.236  -1.120
  297   3HG2  VAL  43          3HG2      VAL  43   8.723   1.893  -0.941
  298    H    HIS  44           H        HIS  44   8.734  -1.119  -2.411
  299    HA   HIS  44           HA       HIS  44  10.015  -2.970  -4.205
  300   1HB   HIS  44          2HB       HIS  44  10.963  -3.809  -1.682
  301   2HB   HIS  44          1HB       HIS  44  11.911  -3.262  -3.061
  302    HD1  HIS  44           1HD      HIS  44  12.621  -0.721  -3.063
  303    HD2  HIS  44           2HD      HIS  44  10.829  -2.058   0.439
  304    HE1  HIS  44           1HE      HIS  44  13.064   1.071  -1.354
  305    HE2  HIS  44           2HE      HIS  44  11.875   0.298   0.714
  306    H    LYS  45           H        LYS  45   8.676  -4.606  -4.443
  307    HA   LYS  45           HA       LYS  45   6.409  -4.962  -2.775
  308   1HB   LYS  45          2HB       LYS  45   7.523  -6.811  -4.890
  309   2HB   LYS  45          1HB       LYS  45   5.907  -6.886  -4.203
  310   1HG   LYS  45          2HG       LYS  45   6.146  -4.277  -5.119
  311   2HG   LYS  45          1HG       LYS  45   6.924  -5.262  -6.361
  312   1HD   LYS  45          2HD       LYS  45   4.838  -6.753  -6.197
  313   2HD   LYS  45          1HD       LYS  45   4.101  -5.392  -5.348
  314   1HE   LYS  45          2HE       LYS  45   3.505  -4.742  -7.419
  315   2HE   LYS  45          1HE       LYS  45   5.155  -4.129  -7.491
  316   1HZ   LYS  45          1HZ       LYS  45   5.365  -6.754  -8.223
  317   2HZ   LYS  45          2HZ       LYS  45   5.396  -5.421  -9.264
  318   3HZ   LYS  45          3HZ       LYS  45   3.943  -6.239  -8.981
  319    H    GLY  46           H        GLY  46   7.877  -5.143  -0.790
  320   1HA   GLY  46          2HA       GLY  46   7.681  -7.733   0.254
  321   2HA   GLY  46          1HA       GLY  46   9.347  -7.471  -0.252
  322    H    ARG  47           H        ARG  47   9.821  -7.718   2.061
  323    HA   ARG  47           HA       ARG  47   8.973  -5.499   3.736
  324   1HB   ARG  47          2HB       ARG  47  10.806  -7.807   4.412
  325   2HB   ARG  47          1HB       ARG  47  10.087  -6.676   5.552
  326   1HG   ARG  47          2HG       ARG  47   7.943  -7.562   5.256
  327   2HG   ARG  47          1HG       ARG  47   8.401  -8.400   3.773
  328   1HD   ARG  47          2HD       ARG  47   8.697  -9.217   6.573
  329   2HD   ARG  47          1HD       ARG  47   8.554 -10.194   5.116
  330    HE   ARG  47           HE       ARG  47  10.874 -10.134   4.860
  331   1HH1  ARG  47          1HH1      ARG  47   9.856  -8.282   7.641
  332   2HH1  ARG  47          2HH1      ARG  47  11.440  -8.225   8.336
  333   1HH2  ARG  47          1HH2      ARG  47  12.953 -10.058   5.777
  334   2HH2  ARG  47          2HH2      ARG  47  13.197  -9.232   7.279
  335    H    CYS  48           H        CYS  48  10.230  -4.323   1.842
  336    HA   CYS  48           HA       CYS  48  12.072  -3.138   1.164
  337   1HB   CYS  48          2HB       CYS  48  11.758  -2.791   4.101
  338   2HB   CYS  48          1HB       CYS  48  13.144  -2.043   3.317
  Start of MODEL    8
    1   1H    LYS   1          1HT       LYS   1 -12.391   5.814 -10.451
    2   2H    LYS   1          2HT       LYS   1 -10.988   5.745 -11.438
    3   3H    LYS   1          3HT       LYS   1 -11.133   6.956 -10.230
    4    HA   LYS   1           HA       LYS   1 -11.420   4.300  -9.240
    5   1HB   LYS   1          2HB       LYS   1  -9.365   4.857 -11.155
    6   2HB   LYS   1          1HB       LYS   1  -8.621   4.656  -9.576
    7   1HG   LYS   1          2HG       LYS   1 -10.348   2.558  -9.625
    8   2HG   LYS   1          1HG       LYS   1  -9.892   2.685 -11.325
    9   1HD   LYS   1          2HD       LYS   1  -7.471   2.853 -10.386
   10   2HD   LYS   1          1HD       LYS   1  -8.176   2.132  -8.937
   11   1HE   LYS   1          2HE       LYS   1  -7.629   0.212 -10.008
   12   2HE   LYS   1          1HE       LYS   1  -9.198   0.478 -10.768
   13   1HZ   LYS   1          1HZ       LYS   1  -6.508   1.000 -11.878
   14   2HZ   LYS   1          2HZ       LYS   1  -7.885   1.737 -12.528
   15   3HZ   LYS   1          3HZ       LYS   1  -7.751   0.051 -12.525
   16    HA   PRO   2           HA       PRO   2 -10.308   7.939  -6.463
   17   1HB   PRO   2          2HB       PRO   2 -12.507   7.767  -4.875
   18   2HB   PRO   2          1HB       PRO   2 -12.461   8.736  -6.354
   19   1HG   PRO   2          2HG       PRO   2 -13.582   5.993  -5.919
   20   2HG   PRO   2          1HG       PRO   2 -14.276   7.355  -6.820
   21   1HD   PRO   2          2HD       PRO   2 -13.018   5.302  -8.046
   22   2HD   PRO   2          1HD       PRO   2 -12.957   6.961  -8.674
   23    H    ASP   3           H        ASP   3 -10.819   7.724  -3.839
   24    HA   ASP   3           HA       ASP   3  -8.991   6.117  -2.735
   25   1HB   ASP   3          2HB       ASP   3 -10.749   5.913  -0.748
   26   2HB   ASP   3          1HB       ASP   3  -9.971   7.443  -1.141
   27    H    ALA   4           H        ALA   4  -8.804   4.029  -1.942
   28    HA   ALA   4           HA       ALA   4 -10.951   2.154  -2.653
   29   1HB   ALA   4          1HB       ALA   4  -8.920   0.586  -3.228
   30   2HB   ALA   4          2HB       ALA   4  -8.109   2.123  -3.530
   31   3HB   ALA   4          3HB       ALA   4  -9.572   1.708  -4.423
   32    HA   PRO   5           HA       PRO   5 -10.545   1.060   1.666
   33   1HB   PRO   5          2HB       PRO   5 -11.653  -1.474   0.529
   34   2HB   PRO   5          1HB       PRO   5 -12.163  -0.568   1.958
   35   1HG   PRO   5          2HG       PRO   5 -13.558  -0.426  -0.307
   36   2HG   PRO   5          1HG       PRO   5 -13.322   1.007   0.711
   37   1HD   PRO   5          2HD       PRO   5 -12.057   0.299  -1.886
   38   2HD   PRO   5          1HD       PRO   5 -12.447   1.895  -1.215
   39    H    CYS   6           H        CYS   6  -9.842  -1.166   2.764
   40    HA   CYS   6           HA       CYS   6  -7.355  -1.950   1.417
   41   1HB   CYS   6          2HB       CYS   6  -7.173  -2.777   4.079
   42   2HB   CYS   6          1HB       CYS   6  -6.360  -1.401   3.343
   43    H    ILE   7           H        ILE   7  -9.428  -3.255   0.465
   44    HA   ILE   7           HA       ILE   7  -8.974  -5.955   1.451
   45    HB   ILE   7           HB       ILE   7 -11.687  -4.731   1.080
   46   1HG1  ILE   7          2HG1      ILE   7 -11.830  -5.787   3.495
   47   2HG1  ILE   7          1HG1      ILE   7 -10.079  -5.628   3.430
   48   1HG2  ILE   7          1HG2      ILE   7 -11.906  -7.347   2.091
   49   2HG2  ILE   7          2HG2      ILE   7 -10.788  -7.438   0.731
   50   3HG2  ILE   7          3HG2      ILE   7 -12.403  -6.767   0.501
   51   1HD1  ILE   7          1HD1      ILE   7 -11.151  -3.181   2.553
   52   2HD1  ILE   7          2HD1      ILE   7 -10.283  -3.521   4.050
   53   3HD1  ILE   7          3HD1      ILE   7 -12.042  -3.651   4.002
   54    H    CYS   8           H        CYS   8  -7.816  -6.308  -0.442
   55    HA   CYS   8           HA       CYS   8  -9.358  -6.231  -2.948
   56   1HB   CYS   8          2HB       CYS   8  -6.632  -5.525  -2.265
   57   2HB   CYS   8          1HB       CYS   8  -6.684  -6.698  -3.570
   58    H    THR   9           H        THR   9  -7.151  -8.132  -0.998
   59    HA   THR   9           HA       THR   9  -8.372 -10.601  -1.645
   60    HB   THR   9           HB       THR   9  -7.259 -10.413  -3.750
   61    HG1  THR   9           1HG      THR   9  -6.717 -12.404  -3.499
   62   1HG2  THR   9          1HG2      THR   9  -4.524 -10.263  -2.712
   63   2HG2  THR   9          2HG2      THR   9  -5.467  -8.778  -2.617
   64   3HG2  THR   9          3HG2      THR   9  -5.229  -9.573  -4.172
   65    H    MET  10           H        MET  10  -6.371 -12.355  -1.165
   66    HA   MET  10           HA       MET  10  -5.284 -11.484   1.423
   67   1HB   MET  10          2HB       MET  10  -6.941 -13.763   0.768
   68   2HB   MET  10          1HB       MET  10  -5.396 -14.298   1.417
   69   1HG   MET  10          2HG       MET  10  -5.870 -13.585   3.482
   70   2HG   MET  10          1HG       MET  10  -6.643 -12.109   2.906
   71   1HE   MET  10          1HE       MET  10  -8.688 -11.653   3.731
   72   2HE   MET  10          2HE       MET  10 -10.143 -12.649   3.678
   73   3HE   MET  10          3HE       MET  10  -9.411 -12.075   2.178
   74    H    GLN  11           H        GLN  11  -4.297 -11.588  -1.449
   75    HA   GLN  11           HA       GLN  11  -2.225 -13.530  -1.559
   76   1HB   GLN  11          2HB       GLN  11  -2.880 -11.045  -3.102
   77   2HB   GLN  11          1HB       GLN  11  -1.325 -11.828  -3.332
   78   1HG   GLN  11          2HG       GLN  11  -2.815 -13.965  -3.663
   79   2HG   GLN  11          1HG       GLN  11  -4.051 -12.769  -4.051
   80   1HE2  GLN  11          1HE2      GLN  11  -4.226 -12.397  -6.133
   81   2HE2  GLN  11          2HE2      GLN  11  -2.945 -12.435  -7.293
   82    H    TYR  12           H        TYR  12  -1.824 -12.752   0.852
   83    HA   TYR  12           HA       TYR  12  -0.604 -10.662   1.839
   84   1HB   TYR  12          2HB       TYR  12  -0.733 -12.912   2.931
   85   2HB   TYR  12          1HB       TYR  12   0.720 -13.370   2.049
   86    HD1  TYR  12           1HD      TYR  12   0.222  -9.989   3.408
   87    HD2  TYR  12           2HD      TYR  12   2.039 -13.787   4.028
   88    HE1  TYR  12           1HE      TYR  12   1.603  -9.028   5.201
   89    HE2  TYR  12           2HE      TYR  12   3.425 -12.836   5.823
   90    HH   TYR  12           HH       TYR  12   4.294 -10.547   6.464
   91    H    ASP  13           H        ASP  13   0.278  -9.355   0.193
   92    HA   ASP  13           HA       ASP  13   3.021 -10.115  -0.567
   93   1HB   ASP  13          2HB       ASP  13   0.861  -9.564  -2.298
   94   2HB   ASP  13          1HB       ASP  13   1.894  -8.139  -2.348
   95    HA   PRO  14           HA       PRO  14   2.890  -6.369   2.197
   96   1HB   PRO  14          2HB       PRO  14   5.380  -6.985   3.244
   97   2HB   PRO  14          1HB       PRO  14   3.827  -7.404   3.974
   98   1HG   PRO  14          2HG       PRO  14   5.643  -9.076   2.288
   99   2HG   PRO  14          1HG       PRO  14   4.689  -9.538   3.711
  100   1HD   PRO  14          2HD       PRO  14   3.884 -10.173   1.237
  101   2HD   PRO  14          1HD       PRO  14   2.716  -9.699   2.488
  102    H    VAL  15           H        VAL  15   3.140  -4.888   0.607
  103    HA   VAL  15           HA       VAL  15   5.713  -4.644  -0.755
  104    HB   VAL  15           HB       VAL  15   4.542  -3.014  -2.162
  105   1HG1  VAL  15          1HG1      VAL  15   2.856  -5.488  -1.968
  106   2HG1  VAL  15          2HG1      VAL  15   4.507  -5.513  -2.588
  107   3HG1  VAL  15          3HG1      VAL  15   3.271  -4.559  -3.409
  108   1HG2  VAL  15          1HG2      VAL  15   2.184  -2.590  -1.948
  109   2HG2  VAL  15          2HG2      VAL  15   2.975  -2.207  -0.418
  110   3HG2  VAL  15          3HG2      VAL  15   2.072  -3.713  -0.592
  111    H    CYS  16           H        CYS  16   7.122  -3.218  -0.244
  112    HA   CYS  16           HA       CYS  16   6.690  -1.440   1.948
  113   1HB   CYS  16          2HB       CYS  16   8.875  -2.719   0.764
  114   2HB   CYS  16          1HB       CYS  16   9.152  -1.004   0.568
  115    H    GLY  17           H        GLY  17   5.798   0.472   1.779
  116   1HA   GLY  17          2HA       GLY  17   5.942   1.826  -0.810
  117   2HA   GLY  17          1HA       GLY  17   4.699   2.095   0.388
  118    H    SER  18           H        SER  18   6.786   3.714  -1.094
  119    HA   SER  18           HA       SER  18   8.726   4.741   0.518
  120   1HB   SER  18          2HB       SER  18   7.071   5.992  -1.657
  121   2HB   SER  18          1HB       SER  18   8.282   6.938  -0.794
  122    HG   SER  18           HG       SER  18   8.609   5.061  -2.728
  123    H    ASP  19           H        ASP  19   8.254   4.946   2.562
  124    HA   ASP  19           HA       ASP  19   7.404   7.308   3.648
  125   1HB   ASP  19          2HB       ASP  19   5.158   7.096   3.050
  126   2HB   ASP  19          1HB       ASP  19   5.167   5.347   3.249
  127    H    GLY  20           H        GLY  20   7.773   3.888   3.839
  128   1HA   GLY  20          2HA       GLY  20   9.314   2.984   5.456
  129   2HA   GLY  20          1HA       GLY  20   8.702   4.160   6.614
  130    H    ILE  21           H        ILE  21   6.612   2.342   4.440
  131    HA   ILE  21           HA       ILE  21   5.805   0.698   6.754
  132    HB   ILE  21           HB       ILE  21   3.934   2.214   4.945
  133   1HG1  ILE  21          2HG1      ILE  21   5.092   3.444   6.838
  134   2HG1  ILE  21          1HG1      ILE  21   3.332   3.473   6.871
  135   1HG2  ILE  21          1HG2      ILE  21   3.549  -0.201   6.491
  136   2HG2  ILE  21          2HG2      ILE  21   2.474   0.578   5.330
  137   3HG2  ILE  21          3HG2      ILE  21   2.471   1.092   7.017
  138   1HD1  ILE  21          1HD1      ILE  21   4.815   2.948   9.014
  139   2HD1  ILE  21          2HD1      ILE  21   4.659   1.309   8.381
  140   3HD1  ILE  21          3HD1      ILE  21   3.216   2.247   8.765
  141    H    THR  22           H        THR  22   5.241  -1.354   6.366
  142    HA   THR  22           HA       THR  22   5.468  -2.305   3.599
  143    HB   THR  22           HB       THR  22   5.372  -4.106   6.001
  144    HG1  THR  22           1HG      THR  22   7.467  -2.436   5.194
  145   1HG2  THR  22          1HG2      THR  22   6.836  -4.318   3.384
  146   2HG2  THR  22          2HG2      THR  22   5.331  -5.141   3.793
  147   3HG2  THR  22          3HG2      THR  22   6.813  -5.523   4.670
  148    H    TYR  23           H        TYR  23   3.505  -2.079   2.728
  149    HA   TYR  23           HA       TYR  23   1.090  -2.644   4.179
  150   1HB   TYR  23          2HB       TYR  23   1.469  -2.051   1.246
  151   2HB   TYR  23          1HB       TYR  23  -0.012  -1.867   2.185
  152    HD1  TYR  23           1HD      TYR  23  -0.238  -0.010   3.784
  153    HD2  TYR  23           2HD      TYR  23   3.273  -0.473   1.427
  154    HE1  TYR  23           1HE      TYR  23   0.460   2.274   4.373
  155    HE2  TYR  23           2HE      TYR  23   3.976   1.806   2.012
  156    HH   TYR  23           HH       TYR  23   3.528   3.623   3.207
  157    H    GLY  24           H        GLY  24   0.003  -4.489   4.250
  158   1HA   GLY  24          2HA       GLY  24   0.943  -6.936   3.488
  159   2HA   GLY  24          1HA       GLY  24  -0.764  -6.587   3.709
  160    H    ASN  25           H        ASN  25  -0.488  -4.564   1.478
  161    HA   ASN  25           HA       ASN  25   0.176  -5.940  -0.882
  162   1HB   ASN  25          2HB       ASN  25  -2.557  -5.774  -1.406
  163   2HB   ASN  25          1HB       ASN  25  -1.625  -7.247  -1.165
  164   1HD2  ASN  25          1HD2      ASN  25  -3.505  -8.244  -0.317
  165   2HD2  ASN  25          2HD2      ASN  25  -4.032  -7.914   1.292
  166    H    ALA  26           H        ALA  26  -0.002  -4.665  -2.701
  167    HA   ALA  26           HA       ALA  26   0.232  -1.948  -2.470
  168   1HB   ALA  26          1HB       ALA  26   0.155  -1.820  -4.804
  169   2HB   ALA  26          2HB       ALA  26  -0.963  -3.178  -4.933
  170   3HB   ALA  26          3HB       ALA  26   0.719  -3.460  -4.486
  171    H    CYS  27           H        CYS  27  -2.617  -3.861  -2.501
  172    HA   CYS  27           HA       CYS  27  -4.421  -1.703  -3.082
  173   1HB   CYS  27          2HB       CYS  27  -4.666  -4.591  -2.507
  174   2HB   CYS  27          1HB       CYS  27  -6.029  -3.591  -2.014
  175    H    MET  28           H        MET  28  -3.551  -3.613  -0.193
  176    HA   MET  28           HA       MET  28  -5.092  -2.272   1.697
  177   1HB   MET  28          2HB       MET  28  -2.424  -3.596   1.721
  178   2HB   MET  28          1HB       MET  28  -2.815  -2.572   3.084
  179   1HG   MET  28          2HG       MET  28  -4.888  -3.857   3.452
  180   2HG   MET  28          1HG       MET  28  -4.396  -4.957   2.168
  181   1HE   MET  28          1HE       MET  28  -4.088  -6.345   6.000
  182   2HE   MET  28          2HE       MET  28  -4.608  -7.049   4.468
  183   3HE   MET  28          3HE       MET  28  -5.286  -5.513   5.007
  184    H    LEU  29           H        LEU  29  -2.222  -1.488  -0.024
  185    HA   LEU  29           HA       LEU  29  -1.418   0.863   1.241
  186   1HB   LEU  29          2HB       LEU  29  -0.790  -0.654  -1.062
  187   2HB   LEU  29          1HB       LEU  29  -1.030   0.993  -1.585
  188    HG   LEU  29           HG       LEU  29   1.025  -0.104   0.286
  189   1HD1  LEU  29          1HD1      LEU  29   2.472   1.367  -1.112
  190   2HD1  LEU  29          2HD1      LEU  29   1.055   1.750  -2.090
  191   3HD1  LEU  29          3HD1      LEU  29   1.657   0.094  -2.021
  192   1HD2  LEU  29          1HD2      LEU  29   1.584   2.311   0.804
  193   2HD2  LEU  29          2HD2      LEU  29   0.146   1.676   1.590
  194   3HD2  LEU  29          3HD2      LEU  29  -0.014   2.720   0.187
  195    H    LEU  30           H        LEU  30  -3.446   0.273  -1.580
  196    HA   LEU  30           HA       LEU  30  -4.181   2.857  -2.175
  197   1HB   LEU  30          2HB       LEU  30  -5.566   0.221  -2.409
  198   2HB   LEU  30          1HB       LEU  30  -6.496   1.675  -2.691
  199    HG   LEU  30           HG       LEU  30  -4.020   0.838  -4.193
  200   1HD1  LEU  30          1HD1      LEU  30  -6.127   1.114  -5.956
  201   2HD1  LEU  30          2HD1      LEU  30  -6.852   0.322  -4.556
  202   3HD1  LEU  30          3HD1      LEU  30  -5.457  -0.403  -5.355
  203   1HD2  LEU  30          1HD2      LEU  30  -5.777   3.273  -4.441
  204   2HD2  LEU  30          2HD2      LEU  30  -4.629   2.759  -5.676
  205   3HD2  LEU  30          3HD2      LEU  30  -4.053   3.221  -4.075
  206    H    CYS  31           H        CYS  31  -5.145   0.760   0.458
  207    HA   CYS  31           HA       CYS  31  -7.283   2.464   1.363
  208   1HB   CYS  31          2HB       CYS  31  -7.022  -0.009   1.928
  209   2HB   CYS  31          1HB       CYS  31  -5.754   0.477   3.050
  210    H    ALA  32           H        ALA  32  -3.862   2.126   1.928
  211    HA   ALA  32           HA       ALA  32  -3.661   3.897   4.131
  212   1HB   ALA  32          1HB       ALA  32  -1.868   2.376   3.767
  213   2HB   ALA  32          2HB       ALA  32  -1.235   3.994   3.463
  214   3HB   ALA  32          3HB       ALA  32  -1.647   2.941   2.111
  215    H    SER  33           H        SER  33  -2.771   4.322   0.713
  216    HA   SER  33           HA       SER  33  -2.319   7.063   0.778
  217   1HB   SER  33          2HB       SER  33  -2.538   5.045  -1.211
  218   2HB   SER  33          1HB       SER  33  -3.577   6.379  -1.711
  219    HG   SER  33           HG       SER  33  -0.859   6.641  -0.930
  220    H    ALA  34           H        ALA  34  -5.255   5.324   1.063
  221    HA   ALA  34           HA       ALA  34  -7.001   7.391   0.134
  222   1HB   ALA  34          1HB       ALA  34  -8.500   5.689   1.734
  223   2HB   ALA  34          2HB       ALA  34  -7.244   4.668   1.037
  224   3HB   ALA  34          3HB       ALA  34  -8.303   5.605  -0.016
  225    H    ARG  35           H        ARG  35  -5.960   6.306   3.366
  226    HA   ARG  35           HA       ARG  35  -6.953   8.860   4.410
  227   1HB   ARG  35          2HB       ARG  35  -8.221   7.938   6.129
  228   2HB   ARG  35          1HB       ARG  35  -8.608   6.927   4.746
  229   1HG   ARG  35          2HG       ARG  35  -6.553   6.186   6.814
  230   2HG   ARG  35          1HG       ARG  35  -8.247   5.710   6.898
  231   1HD   ARG  35          2HD       ARG  35  -6.163   4.914   4.901
  232   2HD   ARG  35          1HD       ARG  35  -7.176   3.883   5.912
  233    HE   ARG  35           HE       ARG  35  -7.857   5.016   3.359
  234   1HH1  ARG  35          1HH1      ARG  35  -9.095   3.752   6.359
  235   2HH1  ARG  35          2HH1      ARG  35 -10.634   3.317   5.691
  236   1HH2  ARG  35          1HH2      ARG  35  -9.881   4.450   2.470
  237   2HH2  ARG  35          2HH2      ARG  35 -11.081   3.714   3.481
  238    H    SER  36           H        SER  36  -4.251   7.832   3.885
  239    HA   SER  36           HA       SER  36  -3.101   7.300   6.473
  240   1HB   SER  36          2HB       SER  36  -2.108   6.261   4.517
  241   2HB   SER  36          1HB       SER  36  -1.823   7.836   3.782
  242    HG   SER  36           HG       SER  36   0.028   6.889   4.863
  243    H    ASP  37           H        ASP  37  -1.544   9.568   4.332
  244    HA   ASP  37           HA       ASP  37  -2.328  11.985   5.464
  245   1HB   ASP  37          2HB       ASP  37  -0.774  10.505   7.265
  246   2HB   ASP  37          1HB       ASP  37   0.326  11.702   6.592
  247    H    THR  38           H        THR  38   0.236  10.059   4.074
  248    HA   THR  38           HA       THR  38   0.856  12.271   2.250
  249    HB   THR  38           HB       THR  38   3.272  10.900   2.578
  250    HG1  THR  38           1HG      THR  38   2.520  10.049   4.537
  251   1HG2  THR  38          1HG2      THR  38   2.271  13.572   3.420
  252   2HG2  THR  38          2HG2      THR  38   3.502  13.150   2.229
  253   3HG2  THR  38          3HG2      THR  38   3.860  13.027   3.952
  254    HA   PRO  39           HA       PRO  39  -0.010   9.176  -0.805
  255   1HB   PRO  39          2HB       PRO  39   1.553  10.364  -2.787
  256   2HB   PRO  39          1HB       PRO  39  -0.145  10.722  -2.458
  257   1HG   PRO  39          2HG       PRO  39   2.306  12.184  -1.577
  258   2HG   PRO  39          1HG       PRO  39   0.734  12.829  -2.085
  259   1HD   PRO  39          2HD       PRO  39   1.413  12.740   0.496
  260   2HD   PRO  39          1HD       PRO  39  -0.251  12.387  -0.022
  261    H    ILE  40           H        ILE  40   1.125   7.433   0.102
  262    HA   ILE  40           HA       ILE  40   3.898   7.123   0.179
  263    HB   ILE  40           HB       ILE  40   3.434   4.703   0.332
  264   1HG1  ILE  40          2HG1      ILE  40   1.245   5.292  -1.228
  265   2HG1  ILE  40          1HG1      ILE  40   1.525   3.766  -0.405
  266   1HG2  ILE  40          1HG2      ILE  40   1.973   6.696   1.992
  267   2HG2  ILE  40          2HG2      ILE  40   3.324   5.645   2.418
  268   3HG2  ILE  40          3HG2      ILE  40   1.696   4.978   2.284
  269   1HD1  ILE  40          1HD1      ILE  40  -0.732   4.598  -0.027
  270   2HD1  ILE  40          2HD1      ILE  40  -0.073   6.076   0.677
  271   3HD1  ILE  40          3HD1      ILE  40   0.182   4.526   1.479
  272    H    GLU  41           H        GLU  41   5.302   5.884  -1.157
  273    HA   GLU  41           HA       GLU  41   4.338   5.404  -3.893
  274   1HB   GLU  41          2HB       GLU  41   6.491   7.242  -3.035
  275   2HB   GLU  41          1HB       GLU  41   6.857   6.222  -4.421
  276   1HG   GLU  41          2HG       GLU  41   4.667   7.026  -5.406
  277   2HG   GLU  41          1HG       GLU  41   4.660   8.241  -4.129
  278    H    LEU  42           H        LEU  42   4.368   3.225  -3.749
  279    HA   LEU  42           HA       LEU  42   5.937   1.504  -2.442
  280   1HB   LEU  42          2HB       LEU  42   4.370   1.366  -4.789
  281   2HB   LEU  42          1HB       LEU  42   5.842   0.476  -5.070
  282    HG   LEU  42           HG       LEU  42   3.686  -0.676  -4.058
  283   1HD1  LEU  42          1HD1      LEU  42   6.399  -1.281  -4.250
  284   2HD1  LEU  42          2HD1      LEU  42   5.068  -2.405  -3.974
  285   3HD1  LEU  42          3HD1      LEU  42   5.940  -1.716  -2.604
  286   1HD2  LEU  42          1HD2      LEU  42   5.089  -0.226  -1.488
  287   2HD2  LEU  42          2HD2      LEU  42   3.389  -0.565  -1.809
  288   3HD2  LEU  42          3HD2      LEU  42   4.030   1.057  -2.069
  289    H    VAL  43           H        VAL  43   7.844   0.408  -2.693
  290    HA   VAL  43           HA       VAL  43   9.738   1.481  -4.656
  291    HB   VAL  43           HB       VAL  43  11.369   1.085  -2.520
  292   1HG1  VAL  43          1HG1      VAL  43  11.856   2.975  -3.667
  293   2HG1  VAL  43          2HG1      VAL  43  11.010   3.719  -2.310
  294   3HG1  VAL  43          3HG1      VAL  43  10.162   3.439  -3.831
  295   1HG2  VAL  43          1HG2      VAL  43   9.024   0.987  -1.263
  296   2HG2  VAL  43          2HG2      VAL  43   9.266   2.734  -1.258
  297   3HG2  VAL  43          3HG2      VAL  43  10.470   1.674  -0.525
  298    H    HIS  44           H        HIS  44   8.938  -1.050  -2.326
  299    HA   HIS  44           HA       HIS  44  10.128  -3.007  -4.080
  300   1HB   HIS  44          2HB       HIS  44  11.005  -3.810  -1.524
  301   2HB   HIS  44          1HB       HIS  44  11.993  -3.347  -2.905
  302    HD1  HIS  44           1HD      HIS  44  12.943  -0.930  -2.921
  303    HD2  HIS  44           2HD      HIS  44  10.811  -1.930   0.499
  304    HE1  HIS  44           1HE      HIS  44  13.474   0.871  -1.252
  305    HE2  HIS  44           2HE      HIS  44  12.053   0.331   0.754
  306    H    LYS  45           H        LYS  45   8.739  -4.605  -4.283
  307    HA   LYS  45           HA       LYS  45   6.433  -4.821  -2.641
  308   1HB   LYS  45          2HB       LYS  45   5.970  -6.868  -4.003
  309   2HB   LYS  45          1HB       LYS  45   6.254  -5.416  -4.952
  310   1HG   LYS  45          2HG       LYS  45   7.690  -6.637  -6.126
  311   2HG   LYS  45          1HG       LYS  45   8.766  -6.520  -4.732
  312   1HD   LYS  45          2HD       LYS  45   8.547  -8.693  -4.274
  313   2HD   LYS  45          1HD       LYS  45   6.788  -8.608  -4.388
  314   1HE   LYS  45          2HE       LYS  45   6.819  -8.982  -6.715
  315   2HE   LYS  45          1HE       LYS  45   8.551  -8.666  -6.821
  316   1HZ   LYS  45          1HZ       LYS  45   7.597 -11.098  -6.806
  317   2HZ   LYS  45          2HZ       LYS  45   7.665 -10.883  -5.129
  318   3HZ   LYS  45          3HZ       LYS  45   9.070 -10.730  -6.059
  319    H    GLY  46           H        GLY  46   7.939  -5.010  -0.646
  320   1HA   GLY  46          2HA       GLY  46   7.583  -7.568   0.460
  321   2HA   GLY  46          1HA       GLY  46   9.265  -7.396  -0.033
  322    H    ARG  47           H        ARG  47   9.803  -7.573   2.238
  323    HA   ARG  47           HA       ARG  47   8.992  -5.331   3.905
  324   1HB   ARG  47          2HB       ARG  47  10.977  -7.374   4.809
  325   2HB   ARG  47          1HB       ARG  47   9.732  -6.543   5.732
  326   1HG   ARG  47          2HG       ARG  47   8.299  -8.018   3.892
  327   2HG   ARG  47          1HG       ARG  47   9.630  -9.084   4.345
  328   1HD   ARG  47          2HD       ARG  47   8.661  -7.861   6.711
  329   2HD   ARG  47          1HD       ARG  47   7.267  -8.448   5.806
  330    HE   ARG  47           HE       ARG  47   7.945 -10.607   6.203
  331   1HH1  ARG  47          1HH1      ARG  47  10.498  -8.403   7.074
  332   2HH1  ARG  47          2HH1      ARG  47  11.455  -9.616   7.856
  333   1HH2  ARG  47          1HH2      ARG  47   9.197 -12.211   7.228
  334   2HH2  ARG  47          2HH2      ARG  47  10.716 -11.782   7.941
  335    H    CYS  48           H        CYS  48  10.206  -4.167   2.016
  336    HA   CYS  48           HA       CYS  48  12.054  -3.043   1.260
  337   1HB   CYS  48          2HB       CYS  48  11.799  -2.588   4.191
  338   2HB   CYS  48          1HB       CYS  48  13.148  -1.851   3.335
  Start of MODEL    9
    1   1H    LYS   1          1HT       LYS   1 -11.021   4.673  -7.924
    2   2H    LYS   1          2HT       LYS   1 -10.985   6.386  -8.003
    3   3H    LYS   1          3HT       LYS   1 -10.922   5.594  -6.482
    4    HA   LYS   1           HA       LYS   1  -8.859   4.484  -7.674
    5   1HB   LYS   1          2HB       LYS   1  -9.611   6.691  -9.295
    6   2HB   LYS   1          1HB       LYS   1  -8.120   7.133  -8.476
    7   1HG   LYS   1          2HG       LYS   1  -6.928   5.380  -9.444
    8   2HG   LYS   1          1HG       LYS   1  -8.396   4.509  -9.893
    9   1HD   LYS   1          2HD       LYS   1  -8.432   5.519 -11.874
   10   2HD   LYS   1          1HD       LYS   1  -8.422   7.104 -11.099
   11   1HE   LYS   1          2HE       LYS   1  -5.847   5.655 -11.179
   12   2HE   LYS   1          1HE       LYS   1  -6.468   6.239 -12.723
   13   1HZ   LYS   1          1HZ       LYS   1  -6.031   7.901 -10.299
   14   2HZ   LYS   1          2HZ       LYS   1  -6.612   8.460 -11.784
   15   3HZ   LYS   1          3HZ       LYS   1  -5.032   7.870 -11.665
   16    HA   PRO   2           HA       PRO   2  -7.289   7.822  -4.667
   17   1HB   PRO   2          2HB       PRO   2  -8.538  10.140  -4.357
   18   2HB   PRO   2          1HB       PRO   2  -7.628   9.820  -5.842
   19   1HG   PRO   2          2HG       PRO   2 -10.582   9.596  -5.355
   20   2HG   PRO   2          1HG       PRO   2  -9.735  10.362  -6.711
   21   1HD   PRO   2          2HD       PRO   2 -10.772   7.821  -6.788
   22   2HD   PRO   2          1HD       PRO   2  -9.407   8.362  -7.787
   23    H    ASP   3           H        ASP   3  -9.307   5.886  -4.127
   24    HA   ASP   3           HA       ASP   3  -9.759   6.368  -1.387
   25   1HB   ASP   3          2HB       ASP   3 -11.572   7.764  -2.753
   26   2HB   ASP   3          1HB       ASP   3 -12.389   6.204  -2.780
   27    H    ALA   4           H        ALA   4  -8.535   4.300  -2.343
   28    HA   ALA   4           HA       ALA   4 -10.446   2.106  -2.688
   29   1HB   ALA   4          1HB       ALA   4  -8.963   1.531  -4.249
   30   2HB   ALA   4          2HB       ALA   4  -7.918   1.027  -2.920
   31   3HB   ALA   4          3HB       ALA   4  -7.746   2.639  -3.615
   32    HA   PRO   5           HA       PRO   5  -9.926   1.061   1.620
   33   1HB   PRO   5          2HB       PRO   5 -11.081  -1.529   0.817
   34   2HB   PRO   5          1HB       PRO   5 -11.683  -0.344   1.978
   35   1HG   PRO   5          2HG       PRO   5 -12.875  -0.724  -0.400
   36   2HG   PRO   5          1HG       PRO   5 -12.794   0.874   0.365
   37   1HD   PRO   5          2HD       PRO   5 -11.159  -0.243  -1.878
   38   2HD   PRO   5          1HD       PRO   5 -11.818   1.393  -1.666
   39    H    CYS   6           H        CYS   6  -9.444  -1.400   2.614
   40    HA   CYS   6           HA       CYS   6  -6.940  -2.215   1.300
   41   1HB   CYS   6          2HB       CYS   6  -6.667  -3.014   3.927
   42   2HB   CYS   6          1HB       CYS   6  -5.946  -1.575   3.214
   43    H    ILE   7           H        ILE   7  -9.112  -3.443   0.414
   44    HA   ILE   7           HA       ILE   7  -8.760  -6.140   1.448
   45    HB   ILE   7           HB       ILE   7 -11.408  -4.746   1.216
   46   1HG1  ILE   7          2HG1      ILE   7 -11.302  -6.087   3.623
   47   2HG1  ILE   7          1HG1      ILE   7  -9.642  -5.535   3.415
   48   1HG2  ILE   7          1HG2      ILE   7 -12.318  -6.700   0.646
   49   2HG2  ILE   7          2HG2      ILE   7 -11.774  -7.360   2.189
   50   3HG2  ILE   7          3HG2      ILE   7 -10.752  -7.504   0.759
   51   1HD1  ILE   7          1HD1      ILE   7 -11.718  -4.083   4.467
   52   2HD1  ILE   7          2HD1      ILE   7 -11.588  -3.468   2.820
   53   3HD1  ILE   7          3HD1      ILE   7 -10.184  -3.435   3.887
   54    H    CYS   8           H        CYS   8  -7.577  -5.710  -0.746
   55    HA   CYS   8           HA       CYS   8  -9.303  -5.954  -3.069
   56   1HB   CYS   8          2HB       CYS   8  -6.509  -5.300  -2.547
   57   2HB   CYS   8          1HB       CYS   8  -6.699  -6.412  -3.895
   58    H    THR   9           H        THR   9  -7.134  -7.863  -1.129
   59    HA   THR   9           HA       THR   9  -8.354 -10.322  -1.785
   60    HB   THR   9           HB       THR   9  -7.180 -10.212  -3.852
   61    HG1  THR   9           1HG      THR   9  -6.949 -12.229  -2.993
   62   1HG2  THR   9          1HG2      THR   9  -5.113  -9.420  -4.249
   63   2HG2  THR   9          2HG2      THR   9  -4.484  -9.974  -2.696
   64   3HG2  THR   9          3HG2      THR   9  -5.453  -8.502  -2.781
   65    H    MET  10           H        MET  10  -6.487 -12.119  -1.153
   66    HA   MET  10           HA       MET  10  -5.368 -11.167   1.395
   67   1HB   MET  10          2HB       MET  10  -7.111 -13.450   0.819
   68   2HB   MET  10          1HB       MET  10  -5.651 -13.912   1.683
   69   1HG   MET  10          2HG       MET  10  -7.020 -11.550   2.750
   70   2HG   MET  10          1HG       MET  10  -7.931 -13.054   2.853
   71   1HE   MET  10          1HE       MET  10  -5.627 -15.406   4.741
   72   2HE   MET  10          2HE       MET  10  -6.789 -15.208   3.429
   73   3HE   MET  10          3HE       MET  10  -7.279 -14.899   5.093
   74    H    GLN  11           H        GLN  11  -4.390 -11.539  -1.465
   75    HA   GLN  11           HA       GLN  11  -2.450 -13.625  -1.396
   76   1HB   GLN  11          2HB       GLN  11  -3.162 -11.398  -3.210
   77   2HB   GLN  11          1HB       GLN  11  -1.491 -11.939  -3.284
   78   1HG   GLN  11          2HG       GLN  11  -3.792 -13.850  -3.486
   79   2HG   GLN  11          1HG       GLN  11  -3.143 -13.006  -4.891
   80   1HE2  GLN  11          1HE2      GLN  11  -3.092 -15.854  -3.448
   81   2HE2  GLN  11          2HE2      GLN  11  -1.487 -16.383  -3.807
   82    H    TYR  12           H        TYR  12  -1.985 -12.697   0.907
   83    HA   TYR  12           HA       TYR  12  -0.722 -10.683   1.871
   84   1HB   TYR  12          2HB       TYR  12  -0.700 -12.872   2.977
   85   2HB   TYR  12          1HB       TYR  12   0.588 -13.407   1.905
   86    HD1  TYR  12           1HD      TYR  12   2.490 -13.701   3.191
   87    HD2  TYR  12           2HD      TYR  12   0.119 -10.221   3.795
   88    HE1  TYR  12           1HE      TYR  12   4.164 -12.843   4.775
   89    HE2  TYR  12           2HE      TYR  12   1.787  -9.351   5.378
   90    HH   TYR  12           HH       TYR  12   4.774 -10.234   5.577
   91    H    ASP  13           H        ASP  13   0.000  -9.323   0.136
   92    HA   ASP  13           HA       ASP  13   2.730  -9.979  -0.765
   93   1HB   ASP  13          2HB       ASP  13   0.440  -9.282  -2.304
   94   2HB   ASP  13          1HB       ASP  13   1.561  -7.927  -2.385
   95    HA   PRO  14           HA       PRO  14   2.716  -6.308   2.133
   96   1HB   PRO  14          2HB       PRO  14   5.123  -7.052   3.260
   97   2HB   PRO  14          1HB       PRO  14   3.532  -7.445   3.916
   98   1HG   PRO  14          2HG       PRO  14   5.371  -9.117   2.264
   99   2HG   PRO  14          1HG       PRO  14   4.347  -9.589   3.633
  100   1HD   PRO  14          2HD       PRO  14   3.648 -10.127   1.091
  101   2HD   PRO  14          1HD       PRO  14   2.438  -9.712   2.324
  102    H    VAL  15           H        VAL  15   3.078  -4.916   0.413
  103    HA   VAL  15           HA       VAL  15   5.772  -4.770  -0.703
  104    HB   VAL  15           HB       VAL  15   4.801  -3.320  -2.380
  105   1HG1  VAL  15          1HG1      VAL  15   2.736  -5.421  -2.317
  106   2HG1  VAL  15          2HG1      VAL  15   4.411  -5.966  -2.231
  107   3HG1  VAL  15          3HG1      VAL  15   3.873  -4.984  -3.594
  108   1HG2  VAL  15          1HG2      VAL  15   3.053  -2.051  -1.864
  109   2HG2  VAL  15          2HG2      VAL  15   2.722  -3.015  -0.424
  110   3HG2  VAL  15          3HG2      VAL  15   2.042  -3.491  -1.981
  111    H    CYS  16           H        CYS  16   7.126  -3.320  -0.103
  112    HA   CYS  16           HA       CYS  16   6.452  -1.405   1.904
  113   1HB   CYS  16          2HB       CYS  16   8.755  -2.751   1.064
  114   2HB   CYS  16          1HB       CYS  16   9.062  -1.050   0.803
  115    H    GLY  17           H        GLY  17   5.757   0.588   1.588
  116   1HA   GLY  17          2HA       GLY  17   6.150   1.733  -1.086
  117   2HA   GLY  17          1HA       GLY  17   4.806   2.115  -0.029
  118    H    SER  18           H        SER  18   6.813   3.734  -1.402
  119    HA   SER  18           HA       SER  18   8.754   4.827   0.186
  120   1HB   SER  18          2HB       SER  18   8.806   5.626  -1.990
  121   2HB   SER  18          1HB       SER  18   7.068   5.916  -2.035
  122    HG   SER  18           HG       SER  18   7.564   7.897  -1.585
  123    H    ASP  19           H        ASP  19   8.280   5.040   2.229
  124    HA   ASP  19           HA       ASP  19   7.332   7.389   3.287
  125   1HB   ASP  19          2HB       ASP  19   5.139   6.087   2.367
  126   2HB   ASP  19          1HB       ASP  19   5.236   5.412   3.991
  127    H    GLY  20           H        GLY  20   7.763   3.964   3.540
  128   1HA   GLY  20          2HA       GLY  20   9.445   3.168   5.102
  129   2HA   GLY  20          1HA       GLY  20   8.795   4.311   6.272
  130    H    ILE  21           H        ILE  21   6.818   2.310   4.127
  131    HA   ILE  21           HA       ILE  21   6.136   0.654   6.466
  132    HB   ILE  21           HB       ILE  21   4.157   2.123   4.746
  133   1HG1  ILE  21          2HG1      ILE  21   5.344   2.544   7.407
  134   2HG1  ILE  21          1HG1      ILE  21   4.601   3.700   6.311
  135   1HG2  ILE  21          1HG2      ILE  21   3.646   0.105   6.932
  136   2HG2  ILE  21          2HG2      ILE  21   3.386  -0.151   5.206
  137   3HG2  ILE  21          3HG2      ILE  21   2.420   1.040   6.076
  138   1HD1  ILE  21          1HD1      ILE  21   3.141   3.781   8.045
  139   2HD1  ILE  21          2HD1      ILE  21   3.393   2.094   8.485
  140   3HD1  ILE  21          3HD1      ILE  21   2.396   2.501   7.089
  141    H    THR  22           H        THR  22   5.243  -1.347   6.081
  142    HA   THR  22           HA       THR  22   5.546  -2.349   3.328
  143    HB   THR  22           HB       THR  22   5.466  -4.059   5.814
  144    HG1  THR  22           1HG      THR  22   7.220  -2.638   6.018
  145   1HG2  THR  22          1HG2      THR  22   5.155  -5.283   3.774
  146   2HG2  THR  22          2HG2      THR  22   6.755  -5.625   4.433
  147   3HG2  THR  22          3HG2      THR  22   6.582  -4.527   3.062
  148    H    TYR  23           H        TYR  23   3.576  -2.074   2.465
  149    HA   TYR  23           HA       TYR  23   1.171  -2.565   3.955
  150   1HB   TYR  23          2HB       TYR  23   1.517  -1.961   1.023
  151   2HB   TYR  23          1HB       TYR  23   0.060  -1.741   1.990
  152    HD1  TYR  23           1HD      TYR  23   0.087  -0.035   3.854
  153    HD2  TYR  23           2HD      TYR  23   3.216  -0.323   0.985
  154    HE1  TYR  23           1HE      TYR  23   0.884   2.199   4.501
  155    HE2  TYR  23           2HE      TYR  23   4.015   1.911   1.620
  156    HH   TYR  23           HH       TYR  23   2.306   3.853   4.046
  157    H    GLY  24           H        GLY  24   0.134  -4.392   4.136
  158   1HA   GLY  24          2HA       GLY  24   0.891  -6.865   3.361
  159   2HA   GLY  24          1HA       GLY  24  -0.798  -6.430   3.580
  160    H    ASN  25           H        ASN  25  -0.611  -4.472   1.382
  161    HA   ASN  25           HA       ASN  25   0.024  -5.919  -0.991
  162   1HB   ASN  25          2HB       ASN  25  -2.877  -5.649  -0.194
  163   2HB   ASN  25          1HB       ASN  25  -2.361  -5.974  -1.845
  164   1HD2  ASN  25          1HD2      ASN  25  -3.801  -7.492   0.440
  165   2HD2  ASN  25          2HD2      ASN  25  -3.046  -9.042   0.399
  166    H    ALA  26           H        ALA  26  -0.032  -4.636  -2.847
  167    HA   ALA  26           HA       ALA  26   0.375  -1.924  -2.602
  168   1HB   ALA  26          1HB       ALA  26   0.797  -2.054  -4.790
  169   2HB   ALA  26          2HB       ALA  26  -0.863  -2.531  -5.148
  170   3HB   ALA  26          3HB       ALA  26   0.328  -3.752  -4.699
  171    H    CYS  27           H        CYS  27  -2.567  -3.701  -2.773
  172    HA   CYS  27           HA       CYS  27  -4.293  -1.468  -3.283
  173   1HB   CYS  27          2HB       CYS  27  -4.579  -4.363  -2.873
  174   2HB   CYS  27          1HB       CYS  27  -5.894  -3.410  -2.198
  175    H    MET  28           H        MET  28  -3.472  -3.506  -0.488
  176    HA   MET  28           HA       MET  28  -4.924  -2.235   1.492
  177   1HB   MET  28          2HB       MET  28  -2.074  -3.256   1.568
  178   2HB   MET  28          1HB       MET  28  -3.001  -2.821   2.990
  179   1HG   MET  28          2HG       MET  28  -4.498  -4.657   1.392
  180   2HG   MET  28          1HG       MET  28  -2.888  -5.301   1.703
  181   1HE   MET  28          1HE       MET  28  -2.912  -6.877   4.655
  182   2HE   MET  28          2HE       MET  28  -2.951  -6.969   2.894
  183   3HE   MET  28          3HE       MET  28  -4.364  -7.451   3.834
  184    H    LEU  29           H        LEU  29  -1.970  -1.437  -0.137
  185    HA   LEU  29           HA       LEU  29  -1.123   0.857   1.153
  186   1HB   LEU  29          2HB       LEU  29  -0.605  -0.521  -1.245
  187   2HB   LEU  29          1HB       LEU  29  -0.934   1.128  -1.702
  188    HG   LEU  29           HG       LEU  29   1.303   0.035  -0.072
  189   1HD1  LEU  29          1HD1      LEU  29   1.260   2.308  -2.033
  190   2HD1  LEU  29          2HD1      LEU  29   1.412   0.624  -2.536
  191   3HD1  LEU  29          3HD1      LEU  29   2.639   1.350  -1.496
  192   1HD2  LEU  29          1HD2      LEU  29   0.544   1.612   1.484
  193   2HD2  LEU  29          2HD2      LEU  29   0.035   2.734   0.230
  194   3HD2  LEU  29          3HD2      LEU  29   1.750   2.491   0.550
  195    H    LEU  30           H        LEU  30  -3.236   0.515  -1.648
  196    HA   LEU  30           HA       LEU  30  -3.945   3.148  -2.002
  197   1HB   LEU  30          2HB       LEU  30  -5.315   0.540  -2.473
  198   2HB   LEU  30          1HB       LEU  30  -6.277   1.998  -2.594
  199    HG   LEU  30           HG       LEU  30  -3.788   1.409  -4.188
  200   1HD1  LEU  30          1HD1      LEU  30  -5.075   0.362  -5.661
  201   2HD1  LEU  30          2HD1      LEU  30  -6.172   1.742  -5.737
  202   3HD1  LEU  30          3HD1      LEU  30  -6.421   0.483  -4.528
  203   1HD2  LEU  30          1HD2      LEU  30  -3.741   3.647  -4.351
  204   2HD2  LEU  30          2HD2      LEU  30  -5.403   3.828  -3.788
  205   3HD2  LEU  30          3HD2      LEU  30  -5.082   3.419  -5.474
  206    H    CYS  31           H        CYS  31  -4.930   0.835   0.431
  207    HA   CYS  31           HA       CYS  31  -7.022   2.468   1.541
  208   1HB   CYS  31          2HB       CYS  31  -6.686  -0.092   1.803
  209   2HB   CYS  31          1HB       CYS  31  -5.529   0.337   3.057
  210    H    ALA  32           H        ALA  32  -3.598   2.043   1.964
  211    HA   ALA  32           HA       ALA  32  -3.278   3.468   4.381
  212   1HB   ALA  32          1HB       ALA  32  -0.904   3.644   3.690
  213   2HB   ALA  32          2HB       ALA  32  -1.345   2.959   2.126
  214   3HB   ALA  32          3HB       ALA  32  -1.532   1.998   3.592
  215    H    SER  33           H        SER  33  -2.580   4.423   1.025
  216    HA   SER  33           HA       SER  33  -2.161   7.137   1.533
  217   1HB   SER  33          2HB       SER  33  -1.778   5.790  -0.646
  218   2HB   SER  33          1HB       SER  33  -3.469   6.150  -0.999
  219    HG   SER  33           HG       SER  33  -2.925   8.384  -0.772
  220    H    ALA  34           H        ALA  34  -5.032   5.280   1.580
  221    HA   ALA  34           HA       ALA  34  -6.837   7.462   1.079
  222   1HB   ALA  34          1HB       ALA  34  -7.008   4.655   1.127
  223   2HB   ALA  34          2HB       ALA  34  -8.242   5.817   0.641
  224   3HB   ALA  34          3HB       ALA  34  -8.156   5.268   2.316
  225    H    ARG  35           H        ARG  35  -6.162   5.461   3.973
  226    HA   ARG  35           HA       ARG  35  -7.498   7.521   5.568
  227   1HB   ARG  35          2HB       ARG  35  -8.150   5.921   7.023
  228   2HB   ARG  35          1HB       ARG  35  -7.885   4.877   5.640
  229   1HG   ARG  35          2HG       ARG  35  -5.557   5.290   7.417
  230   2HG   ARG  35          1HG       ARG  35  -6.911   4.385   8.080
  231   1HD   ARG  35          2HD       ARG  35  -6.274   2.588   6.966
  232   2HD   ARG  35          1HD       ARG  35  -6.430   3.457   5.440
  233    HE   ARG  35           HE       ARG  35  -4.064   4.283   6.057
  234   1HH1  ARG  35          1HH1      ARG  35  -5.322   1.081   6.685
  235   2HH1  ARG  35          2HH1      ARG  35  -3.761   0.335   6.667
  236   1HH2  ARG  35          1HH2      ARG  35  -2.021   3.293   6.021
  237   2HH2  ARG  35          2HH2      ARG  35  -1.890   1.586   6.285
  238    H    SER  36           H        SER  36  -4.536   7.351   4.529
  239    HA   SER  36           HA       SER  36  -3.203   7.683   7.103
  240   1HB   SER  36          2HB       SER  36  -2.177   6.235   5.349
  241   2HB   SER  36          1HB       SER  36  -2.002   7.656   4.323
  242    HG   SER  36           HG       SER  36  -0.821   8.536   6.256
  243    H    ASP  37           H        ASP  37  -1.582   9.418   4.738
  244    HA   ASP  37           HA       ASP  37  -2.962  11.830   4.597
  245   1HB   ASP  37          2HB       ASP  37  -1.763  13.180   6.284
  246   2HB   ASP  37          1HB       ASP  37  -2.758  11.924   7.015
  247    H    THR  38           H        THR  38  -0.987  10.064   3.184
  248    HA   THR  38           HA       THR  38   0.539  12.177   1.996
  249    HB   THR  38           HB       THR  38   2.516  10.230   2.556
  250    HG1  THR  38           1HG      THR  38   1.586  11.253   4.987
  251   1HG2  THR  38          1HG2      THR  38   2.394  12.950   2.439
  252   2HG2  THR  38          2HG2      THR  38   3.787  12.010   2.971
  253   3HG2  THR  38          3HG2      THR  38   2.656  12.658   4.159
  254    HA   PRO  39           HA       PRO  39   0.075   9.365  -1.382
  255   1HB   PRO  39          2HB       PRO  39   1.651  10.570  -3.194
  256   2HB   PRO  39          1HB       PRO  39   0.134  11.298  -2.650
  257   1HG   PRO  39          2HG       PRO  39   2.940  11.930  -1.836
  258   2HG   PRO  39          1HG       PRO  39   1.586  13.032  -2.143
  259   1HD   PRO  39          2HD       PRO  39   2.408  12.226   0.363
  260   2HD   PRO  39          1HD       PRO  39   0.776  12.810  -0.020
  261    H    ILE  40           H        ILE  40   1.162   7.576  -0.261
  262    HA   ILE  40           HA       ILE  40   3.944   7.211  -0.236
  263    HB   ILE  40           HB       ILE  40   3.432   4.812   0.076
  264   1HG1  ILE  40          2HG1      ILE  40   1.076   5.485  -1.305
  265   2HG1  ILE  40          1HG1      ILE  40   1.511   3.915  -0.646
  266   1HG2  ILE  40          1HG2      ILE  40   2.430   5.051   2.218
  267   2HG2  ILE  40          2HG2      ILE  40   1.628   6.548   1.743
  268   3HG2  ILE  40          3HG2      ILE  40   3.382   6.505   1.921
  269   1HD1  ILE  40          1HD1      ILE  40   0.447   4.615   1.500
  270   2HD1  ILE  40          2HD1      ILE  40  -0.660   4.468   0.135
  271   3HD1  ILE  40          3HD1      ILE  40  -0.129   6.062   0.672
  272    H    GLU  41           H        GLU  41   5.273   5.829  -1.524
  273    HA   GLU  41           HA       GLU  41   4.213   5.190  -4.196
  274   1HB   GLU  41          2HB       GLU  41   6.436   7.041  -3.532
  275   2HB   GLU  41          1HB       GLU  41   6.678   5.968  -4.905
  276   1HG   GLU  41          2HG       GLU  41   4.562   6.802  -5.873
  277   2HG   GLU  41          1HG       GLU  41   4.442   7.946  -4.538
  278    H    LEU  42           H        LEU  42   4.318   3.009  -4.081
  279    HA   LEU  42           HA       LEU  42   5.739   1.252  -2.735
  280   1HB   LEU  42          2HB       LEU  42   4.632   1.236  -5.361
  281   2HB   LEU  42          1HB       LEU  42   6.117   0.320  -5.355
  282    HG   LEU  42           HG       LEU  42   3.994  -0.989  -4.925
  283   1HD1  LEU  42          1HD1      LEU  42   5.339  -2.508  -4.031
  284   2HD1  LEU  42          2HD1      LEU  42   5.507  -1.572  -2.545
  285   3HD1  LEU  42          3HD1      LEU  42   6.570  -1.251  -3.915
  286   1HD2  LEU  42          1HD2      LEU  42   4.076  -0.277  -2.088
  287   2HD2  LEU  42          2HD2      LEU  42   2.699  -0.608  -3.139
  288   3HD2  LEU  42          3HD2      LEU  42   3.447   0.990  -3.140
  289    H    VAL  43           H        VAL  43   7.722   0.178  -2.776
  290    HA   VAL  43           HA       VAL  43   9.840   1.353  -4.421
  291    HB   VAL  43           HB       VAL  43  10.368   0.954  -1.497
  292   1HG1  VAL  43          1HG1      VAL  43  12.323   1.111  -2.856
  293   2HG1  VAL  43          2HG1      VAL  43  12.144   2.646  -2.008
  294   3HG1  VAL  43          3HG1      VAL  43  11.689   2.517  -3.707
  295   1HG2  VAL  43          1HG2      VAL  43   9.417   3.501  -2.803
  296   2HG2  VAL  43          2HG2      VAL  43  10.003   3.350  -1.147
  297   3HG2  VAL  43          3HG2      VAL  43   8.517   2.536  -1.634
  298    H    HIS  44           H        HIS  44   8.889  -1.187  -2.160
  299    HA   HIS  44           HA       HIS  44  10.394  -3.099  -3.711
  300   1HB   HIS  44          2HB       HIS  44  11.055  -3.761  -1.048
  301   2HB   HIS  44          1HB       HIS  44  12.145  -3.274  -2.340
  302    HD1  HIS  44           1HD      HIS  44  12.685  -0.673  -2.474
  303    HD2  HIS  44           2HD      HIS  44  10.733  -1.941   0.966
  304    HE1  HIS  44           1HE      HIS  44  12.944   1.210  -0.828
  305    HE2  HIS  44           2HE      HIS  44  11.652   0.472   1.202
  306    H    LYS  45           H        LYS  45   9.181  -4.827  -3.973
  307    HA   LYS  45           HA       LYS  45   6.740  -5.189  -2.562
  308   1HB   LYS  45          2HB       LYS  45   6.432  -7.144  -3.936
  309   2HB   LYS  45          1HB       LYS  45   7.107  -5.861  -4.931
  310   1HG   LYS  45          2HG       LYS  45   9.384  -7.010  -4.282
  311   2HG   LYS  45          1HG       LYS  45   8.336  -8.409  -4.027
  312   1HD   LYS  45          2HD       LYS  45   7.828  -6.952  -6.520
  313   2HD   LYS  45          1HD       LYS  45   9.430  -7.686  -6.420
  314   1HE   LYS  45          2HE       LYS  45   8.272  -9.821  -5.732
  315   2HE   LYS  45          1HE       LYS  45   6.754  -9.041  -6.176
  316   1HZ   LYS  45          1HZ       LYS  45   7.148  -9.382  -8.325
  317   2HZ   LYS  45          2HZ       LYS  45   8.384 -10.436  -7.852
  318   3HZ   LYS  45          3HZ       LYS  45   8.743  -8.827  -8.224
  319    H    GLY  46           H        GLY  46   8.028  -5.154  -0.419
  320   1HA   GLY  46          2HA       GLY  46   7.818  -7.670   0.787
  321   2HA   GLY  46          1HA       GLY  46   9.514  -7.382   0.417
  322    H    ARG  47           H        ARG  47   9.595  -7.534   2.844
  323    HA   ARG  47           HA       ARG  47   8.594  -5.225   4.263
  324   1HB   ARG  47          2HB       ARG  47  10.503  -7.297   5.335
  325   2HB   ARG  47          1HB       ARG  47   9.404  -6.267   6.242
  326   1HG   ARG  47          2HG       ARG  47   7.522  -7.503   5.574
  327   2HG   ARG  47          1HG       ARG  47   8.418  -8.325   4.293
  328   1HD   ARG  47          2HD       ARG  47   9.144  -9.909   5.689
  329   2HD   ARG  47          1HD       ARG  47   9.614  -8.726   6.908
  330    HE   ARG  47           HE       ARG  47   6.868  -8.876   7.031
  331   1HH1  ARG  47          1HH1      ARG  47   9.541 -11.075   7.415
  332   2HH1  ARG  47          2HH1      ARG  47   8.713 -12.086   8.552
  333   1HH2  ARG  47          1HH2      ARG  47   5.769 -10.203   8.526
  334   2HH2  ARG  47          2HH2      ARG  47   6.570 -11.592   9.183
  335    H    CYS  48           H        CYS  48  10.024  -4.113   2.422
  336    HA   CYS  48           HA       CYS  48  11.915  -2.923   1.882
  337   1HB   CYS  48          2HB       CYS  48  11.269  -2.404   4.743
  338   2HB   CYS  48          1HB       CYS  48  12.697  -1.646   4.048
  Start of MODEL   10
    1   1H    LYS   1          1HT       LYS   1  -5.770   5.650  -4.365
    2   2H    LYS   1          2HT       LYS   1  -4.209   6.277  -4.705
    3   3H    LYS   1          3HT       LYS   1  -5.155   5.596  -5.965
    4    HA   LYS   1           HA       LYS   1  -5.140   8.209  -4.881
    5   1HB   LYS   1          2HB       LYS   1  -4.802   8.020  -7.167
    6   2HB   LYS   1          1HB       LYS   1  -5.990   6.744  -7.349
    7   1HG   LYS   1          2HG       LYS   1  -7.120   8.444  -8.336
    8   2HG   LYS   1          1HG       LYS   1  -7.651   8.705  -6.676
    9   1HD   LYS   1          2HD       LYS   1  -5.403  10.167  -6.655
   10   2HD   LYS   1          1HD       LYS   1  -5.821  10.301  -8.365
   11   1HE   LYS   1          2HE       LYS   1  -7.572  11.636  -7.952
   12   2HE   LYS   1          1HE       LYS   1  -8.091  10.680  -6.564
   13   1HZ   LYS   1          1HZ       LYS   1  -6.490  13.072  -6.651
   14   2HZ   LYS   1          2HZ       LYS   1  -5.839  11.864  -5.664
   15   3HZ   LYS   1          3HZ       LYS   1  -7.408  12.430  -5.382
   16    HA   PRO   2           HA       PRO   2  -9.916   7.852  -4.779
   17   1HB   PRO   2          2HB       PRO   2 -11.087   5.504  -5.462
   18   2HB   PRO   2          1HB       PRO   2 -10.687   6.752  -6.648
   19   1HG   PRO   2          2HG       PRO   2  -9.182   4.260  -5.940
   20   2HG   PRO   2          1HG       PRO   2  -9.526   4.943  -7.541
   21   1HD   PRO   2          2HD       PRO   2  -7.136   5.260  -6.318
   22   2HD   PRO   2          1HD       PRO   2  -7.832   6.497  -7.384
   23    H    ASP   3           H        ASP   3 -11.637   6.581  -3.462
   24    HA   ASP   3           HA       ASP   3 -10.388   5.789  -1.003
   25   1HB   ASP   3          2HB       ASP   3 -13.328   5.601  -1.659
   26   2HB   ASP   3          1HB       ASP   3 -12.583   5.765  -0.072
   27    H    ALA   4           H        ALA   4  -9.276   3.946  -2.207
   28    HA   ALA   4           HA       ALA   4 -10.924   1.623  -2.720
   29   1HB   ALA   4          1HB       ALA   4  -8.254   2.481  -3.377
   30   2HB   ALA   4          2HB       ALA   4  -9.249   1.232  -4.125
   31   3HB   ALA   4          3HB       ALA   4  -8.244   0.840  -2.731
   32    HA   PRO   5           HA       PRO   5 -10.922   0.385   1.596
   33   1HB   PRO   5          2HB       PRO   5 -11.623  -2.193   0.267
   34   2HB   PRO   5          1HB       PRO   5 -12.410  -1.375   1.622
   35   1HG   PRO   5          2HG       PRO   5 -13.494  -1.331  -0.811
   36   2HG   PRO   5          1HG       PRO   5 -13.555   0.095   0.243
   37   1HD   PRO   5          2HD       PRO   5 -11.848  -0.430  -2.144
   38   2HD   PRO   5          1HD       PRO   5 -12.546   1.097  -1.566
   39    H    CYS   6           H        CYS   6  -9.955  -1.526   2.802
   40    HA   CYS   6           HA       CYS   6  -7.355  -2.154   1.599
   41   1HB   CYS   6          2HB       CYS   6  -7.314  -2.884   4.316
   42   2HB   CYS   6          1HB       CYS   6  -6.511  -1.512   3.569
   43    H    ILE   7           H        ILE   7  -9.359  -3.661   0.633
   44    HA   ILE   7           HA       ILE   7  -8.624  -6.294   1.605
   45    HB   ILE   7           HB       ILE   7 -11.427  -5.232   1.621
   46   1HG1  ILE   7          2HG1      ILE   7  -9.697  -6.670   3.638
   47   2HG1  ILE   7          1HG1      ILE   7 -10.265  -5.005   3.714
   48   1HG2  ILE   7          1HG2      ILE   7 -12.049  -7.179   0.668
   49   2HG2  ILE   7          2HG2      ILE   7 -11.730  -7.862   2.262
   50   3HG2  ILE   7          3HG2      ILE   7 -10.499  -7.951   1.003
   51   1HD1  ILE   7          1HD1      ILE   7 -12.623  -6.152   3.653
   52   2HD1  ILE   7          2HD1      ILE   7 -11.712  -6.010   5.156
   53   3HD1  ILE   7          3HD1      ILE   7 -11.716  -7.534   4.267
   54    H    CYS   8           H        CYS   8  -7.557  -5.968  -0.536
   55    HA   CYS   8           HA       CYS   8  -9.287  -6.153  -2.863
   56   1HB   CYS   8          2HB       CYS   8  -6.521  -5.458  -2.332
   57   2HB   CYS   8          1HB       CYS   8  -6.660  -6.592  -3.667
   58    H    THR   9           H        THR   9  -6.988  -8.091  -1.068
   59    HA   THR   9           HA       THR   9  -8.245 -10.543  -1.689
   60    HB   THR   9           HB       THR   9  -7.208 -10.313  -3.847
   61    HG1  THR   9           1HG      THR   9  -6.954 -12.373  -3.384
   62   1HG2  THR   9          1HG2      THR   9  -5.474  -8.876  -3.876
   63   2HG2  THR   9          2HG2      THR   9  -4.563 -10.378  -3.741
   64   3HG2  THR   9          3HG2      THR   9  -4.869  -9.401  -2.305
   65    H    MET  10           H        MET  10  -6.511 -12.392  -1.131
   66    HA   MET  10           HA       MET  10  -5.245 -11.502   1.362
   67   1HB   MET  10          2HB       MET  10  -6.656 -14.002   0.566
   68   2HB   MET  10          1HB       MET  10  -5.295 -14.167   1.666
   69   1HG   MET  10          2HG       MET  10  -6.585 -13.597   3.361
   70   2HG   MET  10          1HG       MET  10  -6.911 -12.041   2.603
   71   1HE   MET  10          1HE       MET  10  -8.544 -15.133   4.026
   72   2HE   MET  10          2HE       MET  10  -7.861 -15.812   2.548
   73   3HE   MET  10          3HE       MET  10  -9.611 -15.716   2.748
   74    H    GLN  11           H        GLN  11  -4.315 -11.596  -1.536
   75    HA   GLN  11           HA       GLN  11  -2.210 -13.521  -1.629
   76   1HB   GLN  11          2HB       GLN  11  -3.427 -11.818  -3.450
   77   2HB   GLN  11          1HB       GLN  11  -1.809 -11.154  -3.284
   78   1HG   GLN  11          2HG       GLN  11  -1.875 -14.059  -3.597
   79   2HG   GLN  11          1HG       GLN  11  -2.528 -13.168  -4.970
   80   1HE2  GLN  11          1HE2      GLN  11   0.214 -12.935  -2.724
   81   2HE2  GLN  11          2HE2      GLN  11   1.396 -12.587  -3.934
   82    H    TYR  12           H        TYR  12  -1.780 -12.666   0.727
   83    HA   TYR  12           HA       TYR  12  -0.617 -10.475   1.587
   84   1HB   TYR  12          2HB       TYR  12  -0.675 -12.873   2.634
   85   2HB   TYR  12          1HB       TYR  12   0.982 -12.965   2.042
   86    HD1  TYR  12           1HD      TYR  12   2.620 -12.416   3.564
   87    HD2  TYR  12           2HD      TYR  12  -1.171 -10.513   3.877
   88    HE1  TYR  12           1HE      TYR  12   3.402 -11.199   5.551
   89    HE2  TYR  12           2HE      TYR  12  -0.401  -9.289   5.866
   90    HH   TYR  12           HH       TYR  12   2.591  -8.793   6.672
   91    H    ASP  13           H        ASP  13   0.271  -9.228  -0.062
   92    HA   ASP  13           HA       ASP  13   2.994 -10.020  -0.863
   93   1HB   ASP  13          2HB       ASP  13   0.786  -9.320  -2.518
   94   2HB   ASP  13          1HB       ASP  13   1.942  -7.995  -2.599
   95    HA   PRO  14           HA       PRO  14   2.867  -6.333   2.046
   96   1HB   PRO  14          2HB       PRO  14   5.338  -7.089   3.088
   97   2HB   PRO  14          1HB       PRO  14   3.760  -7.412   3.811
   98   1HG   PRO  14          2HG       PRO  14   5.467  -9.181   2.118
   99   2HG   PRO  14          1HG       PRO  14   4.471  -9.594   3.528
  100   1HD   PRO  14          2HD       PRO  14   3.638 -10.164   1.056
  101   2HD   PRO  14          1HD       PRO  14   2.494  -9.578   2.284
  102    H    VAL  15           H        VAL  15   3.175  -4.852   0.432
  103    HA   VAL  15           HA       VAL  15   5.808  -4.621  -0.795
  104    HB   VAL  15           HB       VAL  15   4.755  -3.009  -2.283
  105   1HG1  VAL  15          1HG1      VAL  15   4.251  -5.717  -2.223
  106   2HG1  VAL  15          2HG1      VAL  15   3.965  -4.637  -3.588
  107   3HG1  VAL  15          3HG1      VAL  15   2.656  -5.003  -2.464
  108   1HG2  VAL  15          1HG2      VAL  15   2.309  -2.608  -2.147
  109   2HG2  VAL  15          2HG2      VAL  15   3.214  -1.939  -0.790
  110   3HG2  VAL  15          3HG2      VAL  15   2.306  -3.437  -0.590
  111    H    CYS  16           H        CYS  16   7.214  -3.285  -0.065
  112    HA   CYS  16           HA       CYS  16   6.622  -1.478   2.068
  113   1HB   CYS  16          2HB       CYS  16   8.856  -2.843   1.092
  114   2HB   CYS  16          1HB       CYS  16   9.225  -1.142   0.933
  115    H    GLY  17           H        GLY  17   5.848   0.490   1.813
  116   1HA   GLY  17          2HA       GLY  17   6.292   1.807  -0.760
  117   2HA   GLY  17          1HA       GLY  17   4.957   2.143   0.319
  118    H    SER  18           H        SER  18   7.053   3.775  -0.970
  119    HA   SER  18           HA       SER  18   8.955   4.724   0.759
  120   1HB   SER  18          2HB       SER  18   9.017   5.485  -1.499
  121   2HB   SER  18          1HB       SER  18   7.384   6.137  -1.390
  122    HG   SER  18           HG       SER  18   8.113   7.806  -0.186
  123    H    ASP  19           H        ASP  19   8.399   4.895   2.760
  124    HA   ASP  19           HA       ASP  19   7.469   7.222   3.866
  125   1HB   ASP  19          2HB       ASP  19   5.256   6.781   3.008
  126   2HB   ASP  19          1HB       ASP  19   5.289   5.133   3.625
  127    H    GLY  20           H        GLY  20   7.928   3.809   3.978
  128   1HA   GLY  20          2HA       GLY  20   9.452   2.913   5.610
  129   2HA   GLY  20          1HA       GLY  20   8.770   4.035   6.781
  130    H    ILE  21           H        ILE  21   6.831   2.157   4.496
  131    HA   ILE  21           HA       ILE  21   6.049   0.412   6.732
  132    HB   ILE  21           HB       ILE  21   4.142   2.026   5.058
  133   1HG1  ILE  21          2HG1      ILE  21   5.138   3.242   6.935
  134   2HG1  ILE  21          1HG1      ILE  21   3.432   2.926   7.240
  135   1HG2  ILE  21          1HG2      ILE  21   3.539  -0.130   7.080
  136   2HG2  ILE  21          2HG2      ILE  21   3.304  -0.250   5.337
  137   3HG2  ILE  21          3HG2      ILE  21   2.349   0.895   6.278
  138   1HD1  ILE  21          1HD1      ILE  21   3.901   1.823   9.102
  139   2HD1  ILE  21          2HD1      ILE  21   5.564   2.384   8.924
  140   3HD1  ILE  21          3HD1      ILE  21   5.090   0.810   8.283
  141    H    THR  22           H        THR  22   5.294  -1.588   6.234
  142    HA   THR  22           HA       THR  22   5.557  -2.409   3.422
  143    HB   THR  22           HB       THR  22   5.572  -4.213   5.847
  144    HG1  THR  22           1HG      THR  22   7.742  -4.058   5.877
  145   1HG2  THR  22          1HG2      THR  22   5.121  -5.283   3.667
  146   2HG2  THR  22          2HG2      THR  22   6.617  -5.826   4.428
  147   3HG2  THR  22          3HG2      THR  22   6.672  -4.678   3.090
  148    H    TYR  23           H        TYR  23   3.575  -2.095   2.603
  149    HA   TYR  23           HA       TYR  23   1.179  -2.715   4.049
  150   1HB   TYR  23          2HB       TYR  23   1.512  -1.998   1.139
  151   2HB   TYR  23          1HB       TYR  23   0.058  -1.822   2.122
  152    HD1  TYR  23           1HD      TYR  23   0.070  -0.151   4.017
  153    HD2  TYR  23           2HD      TYR  23   3.194  -0.349   1.136
  154    HE1  TYR  23           1HE      TYR  23   0.840   2.084   4.698
  155    HE2  TYR  23           2HE      TYR  23   3.966   1.882   1.808
  156    HH   TYR  23           HH       TYR  23   3.578   3.660   3.082
  157    H    GLY  24           H        GLY  24   0.154  -4.583   4.122
  158   1HA   GLY  24          2HA       GLY  24   1.016  -6.991   3.234
  159   2HA   GLY  24          1HA       GLY  24  -0.685  -6.632   3.479
  160    H    ASN  25           H        ASN  25  -0.491  -4.545   1.353
  161    HA   ASN  25           HA       ASN  25   0.204  -5.773  -1.083
  162   1HB   ASN  25          2HB       ASN  25  -2.454  -5.760  -1.704
  163   2HB   ASN  25          1HB       ASN  25  -1.542  -7.202  -1.259
  164   1HD2  ASN  25          1HD2      ASN  25  -3.184  -8.304  -0.251
  165   2HD2  ASN  25          2HD2      ASN  25  -3.937  -7.751   1.199
  166    H    ALA  26           H        ALA  26  -0.059  -4.410  -2.833
  167    HA   ALA  26           HA       ALA  26   0.130  -1.714  -2.476
  168   1HB   ALA  26          1HB       ALA  26  -0.125  -1.452  -4.809
  169   2HB   ALA  26          2HB       ALA  26  -1.122  -2.901  -4.940
  170   3HB   ALA  26          3HB       ALA  26   0.599  -3.044  -4.580
  171    H    CYS  27           H        CYS  27  -2.708  -3.655  -2.509
  172    HA   CYS  27           HA       CYS  27  -4.539  -1.477  -2.904
  173   1HB   CYS  27          2HB       CYS  27  -4.782  -4.393  -2.415
  174   2HB   CYS  27          1HB       CYS  27  -6.136  -3.385  -1.908
  175    H    MET  28           H        MET  28  -3.557  -3.504  -0.135
  176    HA   MET  28           HA       MET  28  -5.010  -2.237   1.873
  177   1HB   MET  28          2HB       MET  28  -2.352  -3.568   1.724
  178   2HB   MET  28          1HB       MET  28  -2.645  -2.559   3.123
  179   1HG   MET  28          2HG       MET  28  -4.577  -3.826   3.754
  180   2HG   MET  28          1HG       MET  28  -4.461  -4.803   2.295
  181   1HE   MET  28          1HE       MET  28  -4.634  -5.028   5.415
  182   2HE   MET  28          2HE       MET  28  -3.122  -5.328   6.273
  183   3HE   MET  28          3HE       MET  28  -4.014  -6.674   5.561
  184    H    LEU  29           H        LEU  29  -2.215  -1.392   0.060
  185    HA   LEU  29           HA       LEU  29  -1.331   0.905   1.355
  186   1HB   LEU  29          2HB       LEU  29  -0.873  -0.513  -1.058
  187   2HB   LEU  29          1HB       LEU  29  -1.125   1.160  -1.483
  188    HG   LEU  29           HG       LEU  29   1.054  -0.067   0.142
  189   1HD1  LEU  29          1HD1      LEU  29   0.920   2.029  -2.026
  190   2HD1  LEU  29          2HD1      LEU  29   1.483   0.365  -2.193
  191   3HD1  LEU  29          3HD1      LEU  29   2.402   1.514  -1.220
  192   1HD2  LEU  29          1HD2      LEU  29   1.631   2.359   0.769
  193   2HD2  LEU  29          2HD2      LEU  29   0.378   1.544   1.697
  194   3HD2  LEU  29          3HD2      LEU  29  -0.066   2.699   0.448
  195    H    LEU  30           H        LEU  30  -3.546   0.439  -1.348
  196    HA   LEU  30           HA       LEU  30  -4.310   3.054  -1.774
  197   1HB   LEU  30          2HB       LEU  30  -5.695   0.419  -2.081
  198   2HB   LEU  30          1HB       LEU  30  -6.643   1.880  -2.246
  199    HG   LEU  30           HG       LEU  30  -4.162   1.336  -3.862
  200   1HD1  LEU  30          1HD1      LEU  30  -6.830   0.224  -4.110
  201   2HD1  LEU  30          2HD1      LEU  30  -5.341  -0.210  -4.947
  202   3HD1  LEU  30          3HD1      LEU  30  -6.337   1.115  -5.550
  203   1HD2  LEU  30          1HD2      LEU  30  -6.400   3.137  -4.666
  204   2HD2  LEU  30          2HD2      LEU  30  -4.691   3.203  -5.095
  205   3HD2  LEU  30          3HD2      LEU  30  -5.218   3.704  -3.488
  206    H    CYS  31           H        CYS  31  -5.139   0.811   0.782
  207    HA   CYS  31           HA       CYS  31  -7.208   2.505   1.888
  208   1HB   CYS  31          2HB       CYS  31  -7.138   0.018   2.238
  209   2HB   CYS  31          1HB       CYS  31  -5.714   0.248   3.246
  210    H    ALA  32           H        ALA  32  -3.787   2.045   2.195
  211    HA   ALA  32           HA       ALA  32  -3.369   3.513   4.581
  212   1HB   ALA  32          1HB       ALA  32  -1.698   2.406   2.423
  213   2HB   ALA  32          2HB       ALA  32  -1.471   2.355   4.172
  214   3HB   ALA  32          3HB       ALA  32  -1.029   3.803   3.267
  215    H    SER  33           H        SER  33  -2.745   4.365   1.180
  216    HA   SER  33           HA       SER  33  -2.266   7.080   1.556
  217   1HB   SER  33          2HB       SER  33  -2.536   5.350  -0.635
  218   2HB   SER  33          1HB       SER  33  -3.750   6.604  -0.893
  219    HG   SER  33           HG       SER  33  -2.213   8.086  -1.072
  220    H    ALA  34           H        ALA  34  -5.212   5.280   1.638
  221    HA   ALA  34           HA       ALA  34  -6.939   7.585   1.364
  222   1HB   ALA  34          1HB       ALA  34  -8.263   5.944   0.638
  223   2HB   ALA  34          2HB       ALA  34  -8.476   5.495   2.330
  224   3HB   ALA  34          3HB       ALA  34  -7.239   4.702   1.358
  225    H    ARG  35           H        ARG  35  -5.232   6.061   3.884
  226    HA   ARG  35           HA       ARG  35  -7.071   7.022   5.939
  227   1HB   ARG  35          2HB       ARG  35  -4.712   5.173   5.970
  228   2HB   ARG  35          1HB       ARG  35  -5.339   5.858   7.461
  229   1HG   ARG  35          2HG       ARG  35  -7.460   4.810   7.134
  230   2HG   ARG  35          1HG       ARG  35  -7.004   4.284   5.513
  231   1HD   ARG  35          2HD       ARG  35  -6.871   2.477   7.199
  232   2HD   ARG  35          1HD       ARG  35  -5.333   2.806   6.407
  233    HE   ARG  35           HE       ARG  35  -4.523   3.751   8.396
  234   1HH1  ARG  35          1HH1      ARG  35  -7.793   2.568   8.760
  235   2HH1  ARG  35          2HH1      ARG  35  -7.729   2.570  10.489
  236   1HH2  ARG  35          1HH2      ARG  35  -4.451   3.762  10.666
  237   2HH2  ARG  35          2HH2      ARG  35  -5.837   3.252  11.571
  238    H    SER  36           H        SER  36  -3.682   7.409   4.946
  239    HA   SER  36           HA       SER  36  -3.228   9.415   6.960
  240   1HB   SER  36          2HB       SER  36  -1.406   7.924   6.320
  241   2HB   SER  36          1HB       SER  36  -1.491   8.498   4.655
  242    HG   SER  36           HG       SER  36  -0.921  10.140   6.900
  243    H    ASP  37           H        ASP  37  -1.890  10.121   3.867
  244    HA   ASP  37           HA       ASP  37  -3.816  11.783   2.764
  245   1HB   ASP  37          2HB       ASP  37  -2.546  13.988   3.479
  246   2HB   ASP  37          1HB       ASP  37  -3.841  13.322   4.469
  247    H    THR  38           H        THR  38  -0.466  11.015   3.292
  248    HA   THR  38           HA       THR  38   0.342  12.337   0.821
  249    HB   THR  38           HB       THR  38   2.071  12.725   2.237
  250    HG1  THR  38           1HG      THR  38   3.423  11.660   1.050
  251   1HG2  THR  38          1HG2      THR  38   1.342  10.183   3.643
  252   2HG2  THR  38          2HG2      THR  38   1.294  11.837   4.254
  253   3HG2  THR  38          3HG2      THR  38   2.845  11.047   3.970
  254    HA   PRO  39           HA       PRO  39  -0.325   8.569  -1.456
  255   1HB   PRO  39          2HB       PRO  39   1.290   9.911  -3.524
  256   2HB   PRO  39          1HB       PRO  39  -0.369   9.315  -3.604
  257   1HG   PRO  39          2HG       PRO  39   0.182  11.939  -3.521
  258   2HG   PRO  39          1HG       PRO  39  -1.252  11.259  -2.733
  259   1HD   PRO  39          2HD       PRO  39   1.347  12.121  -1.524
  260   2HD   PRO  39          1HD       PRO  39  -0.307  12.327  -0.911
  261    H    ILE  40           H        ILE  40   1.109   7.339  -0.076
  262    HA   ILE  40           HA       ILE  40   3.793   7.229   0.074
  263    HB   ILE  40           HB       ILE  40   3.538   4.683   0.091
  264   1HG1  ILE  40          2HG1      ILE  40   1.258   5.215  -1.318
  265   2HG1  ILE  40          1HG1      ILE  40   1.576   3.708  -0.472
  266   1HG2  ILE  40          1HG2      ILE  40   1.919   4.895   2.162
  267   2HG2  ILE  40          2HG2      ILE  40   2.178   6.618   1.893
  268   3HG2  ILE  40          3HG2      ILE  40   3.553   5.557   2.203
  269   1HD1  ILE  40          1HD1      ILE  40   0.187   6.018   0.843
  270   2HD1  ILE  40          2HD1      ILE  40   0.228   4.330   1.346
  271   3HD1  ILE  40          3HD1      ILE  40  -0.675   4.798  -0.094
  272    H    GLU  41           H        GLU  41   5.470   6.065  -1.085
  273    HA   GLU  41           HA       GLU  41   4.791   5.600  -3.915
  274   1HB   GLU  41          2HB       GLU  41   6.959   7.285  -2.756
  275   2HB   GLU  41          1HB       GLU  41   7.282   6.419  -4.254
  276   1HG   GLU  41          2HG       GLU  41   5.299   7.461  -5.257
  277   2HG   GLU  41          1HG       GLU  41   5.042   8.364  -3.766
  278    H    LEU  42           H        LEU  42   4.732   3.419  -3.794
  279    HA   LEU  42           HA       LEU  42   6.065   1.585  -2.433
  280   1HB   LEU  42          2HB       LEU  42   4.952   1.637  -5.063
  281   2HB   LEU  42          1HB       LEU  42   6.365   0.612  -5.037
  282    HG   LEU  42           HG       LEU  42   3.969  -0.358  -4.522
  283   1HD1  LEU  42          1HD1      LEU  42   5.843  -1.427  -2.566
  284   2HD1  LEU  42          2HD1      LEU  42   6.536  -1.223  -4.175
  285   3HD1  LEU  42          3HD1      LEU  42   5.084  -2.200  -3.957
  286   1HD2  LEU  42          1HD2      LEU  42   3.811   1.380  -2.600
  287   2HD2  LEU  42          2HD2      LEU  42   4.817   0.230  -1.718
  288   3HD2  LEU  42          3HD2      LEU  42   3.240  -0.268  -2.331
  289    H    VAL  43           H        VAL  43   7.979   0.490  -2.416
  290    HA   VAL  43           HA       VAL  43  10.195   1.673  -3.939
  291    HB   VAL  43           HB       VAL  43  11.482   1.012  -1.707
  292   1HG1  VAL  43          1HG1      VAL  43  10.544   3.570  -1.107
  293   2HG1  VAL  43          2HG1      VAL  43  10.459   3.436  -2.864
  294   3HG1  VAL  43          3HG1      VAL  43  11.987   3.151  -2.031
  295   1HG2  VAL  43          1HG2      VAL  43  10.127   1.786   0.240
  296   2HG2  VAL  43          2HG2      VAL  43   9.595   0.256  -0.456
  297   3HG2  VAL  43          3HG2      VAL  43   8.707   1.739  -0.803
  298    H    HIS  44           H        HIS  44   9.130  -1.053  -1.948
  299    HA   HIS  44           HA       HIS  44  10.426  -2.873  -3.785
  300   1HB   HIS  44          2HB       HIS  44  10.947  -3.914  -1.194
  301   2HB   HIS  44          1HB       HIS  44  12.102  -3.471  -2.445
  302    HD1  HIS  44           1HD      HIS  44  13.107  -1.036  -2.301
  303    HD2  HIS  44           2HD      HIS  44  10.807  -2.215   0.951
  304    HE1  HIS  44           1HE      HIS  44  13.627   0.617  -0.478
  305    HE2  HIS  44           2HE      HIS  44  12.129  -0.039   1.435
  306    H    LYS  45           H        LYS  45   9.066  -4.420  -4.288
  307    HA   LYS  45           HA       LYS  45   6.562  -4.711  -2.976
  308   1HB   LYS  45          2HB       LYS  45   6.059  -6.361  -4.630
  309   2HB   LYS  45          1HB       LYS  45   6.970  -5.083  -5.422
  310   1HG   LYS  45          2HG       LYS  45   8.416  -6.579  -6.163
  311   2HG   LYS  45          1HG       LYS  45   8.834  -6.999  -4.500
  312   1HD   LYS  45          2HD       LYS  45   8.155  -9.020  -5.491
  313   2HD   LYS  45          1HD       LYS  45   6.771  -8.493  -4.532
  314   1HE   LYS  45          2HE       LYS  45   5.478  -8.450  -6.339
  315   2HE   LYS  45          1HE       LYS  45   6.603  -7.374  -7.163
  316   1HZ   LYS  45          1HZ       LYS  45   6.131  -9.598  -8.245
  317   2HZ   LYS  45          2HZ       LYS  45   7.062 -10.292  -7.015
  318   3HZ   LYS  45          3HZ       LYS  45   7.760  -9.172  -8.073
  319    H    GLY  46           H        GLY  46   8.012  -5.098  -0.886
  320   1HA   GLY  46          2HA       GLY  46   7.423  -7.736  -0.029
  321   2HA   GLY  46          1HA       GLY  46   9.151  -7.561  -0.318
  322    H    ARG  47           H        ARG  47   9.382  -7.964   2.001
  323    HA   ARG  47           HA       ARG  47   8.445  -5.826   3.736
  324   1HB   ARG  47          2HB       ARG  47  10.242  -7.987   4.735
  325   2HB   ARG  47          1HB       ARG  47   8.882  -7.208   5.530
  326   1HG   ARG  47          2HG       ARG  47   7.332  -8.454   4.118
  327   2HG   ARG  47          1HG       ARG  47   8.693  -9.226   3.301
  328   1HD   ARG  47          2HD       ARG  47   7.704 -10.670   5.026
  329   2HD   ARG  47          1HD       ARG  47   9.386 -10.270   5.373
  330    HE   ARG  47           HE       ARG  47   8.119  -8.405   6.786
  331   1HH1  ARG  47          1HH1      ARG  47   7.518 -11.821   6.492
  332   2HH1  ARG  47          2HH1      ARG  47   6.876 -11.980   8.093
  333   1HH2  ARG  47          1HH2      ARG  47   7.279  -8.601   8.902
  334   2HH2  ARG  47          2HH2      ARG  47   6.742 -10.150   9.463
  335    H    CYS  48           H        CYS  48   9.948  -4.561   2.109
  336    HA   CYS  48           HA       CYS  48  11.904  -3.432   1.728
  337   1HB   CYS  48          2HB       CYS  48  11.243  -3.263   4.610
  338   2HB   CYS  48          1HB       CYS  48  12.806  -2.622   4.111
  Start of MODEL   11
    1   1H    LYS   1          1HT       LYS   1  -6.673   9.553 -10.150
    2   2H    LYS   1          2HT       LYS   1  -5.180   8.892 -10.679
    3   3H    LYS   1          3HT       LYS   1  -5.292   9.637  -9.138
    4    HA   LYS   1           HA       LYS   1  -6.797   7.245  -9.942
    5   1HB   LYS   1          2HB       LYS   1  -4.063   7.458  -9.552
    6   2HB   LYS   1          1HB       LYS   1  -4.656   6.946  -7.978
    7   1HG   LYS   1          2HG       LYS   1  -4.763   4.866  -8.715
    8   2HG   LYS   1          1HG       LYS   1  -5.963   5.359  -9.911
    9   1HD   LYS   1          2HD       LYS   1  -4.466   5.348 -11.599
   10   2HD   LYS   1          1HD       LYS   1  -3.175   6.007 -10.593
   11   1HE   LYS   1          2HE       LYS   1  -2.569   3.913  -9.783
   12   2HE   LYS   1          1HE       LYS   1  -4.119   3.193 -10.211
   13   1HZ   LYS   1          1HZ       LYS   1  -1.817   3.792 -11.938
   14   2HZ   LYS   1          2HZ       LYS   1  -3.368   3.739 -12.610
   15   3HZ   LYS   1          3HZ       LYS   1  -2.735   2.376 -11.833
   16    HA   PRO   2           HA       PRO   2  -9.019   8.921  -6.362
   17   1HB   PRO   2          2HB       PRO   2 -10.952   6.957  -6.464
   18   2HB   PRO   2          1HB       PRO   2 -11.014   8.474  -7.366
   19   1HG   PRO   2          2HG       PRO   2 -10.158   5.759  -8.277
   20   2HG   PRO   2          1HG       PRO   2 -11.111   6.983  -9.137
   21   1HD   PRO   2          2HD       PRO   2  -8.511   6.588  -9.669
   22   2HD   PRO   2          1HD       PRO   2  -9.236   8.208  -9.726
   23    H    ASP   3           H        ASP   3 -10.089   7.618  -4.442
   24    HA   ASP   3           HA       ASP   3  -7.947   6.095  -3.266
   25   1HB   ASP   3          2HB       ASP   3 -10.669   6.692  -2.097
   26   2HB   ASP   3          1HB       ASP   3  -9.219   6.210  -1.222
   27    H    ALA   4           H        ALA   4  -8.418   4.055  -2.069
   28    HA   ALA   4           HA       ALA   4 -10.544   2.411  -3.187
   29   1HB   ALA   4          1HB       ALA   4  -9.284   1.265  -4.609
   30   2HB   ALA   4          2HB       ALA   4  -8.181   0.826  -3.304
   31   3HB   ALA   4          3HB       ALA   4  -7.914   2.307  -4.223
   32    HA   PRO   5           HA       PRO   5 -10.626   0.705   0.874
   33   1HB   PRO   5          2HB       PRO   5 -11.434  -1.849   0.336
   34   2HB   PRO   5          1HB       PRO   5 -12.517  -0.453   0.306
   35   1HG   PRO   5          2HG       PRO   5 -11.151  -1.842  -1.967
   36   2HG   PRO   5          1HG       PRO   5 -12.819  -1.247  -1.859
   37   1HD   PRO   5          2HD       PRO   5 -10.905   0.120  -3.170
   38   2HD   PRO   5          1HD       PRO   5 -12.196   0.945  -2.271
   39    H    CYS   6           H        CYS   6  -9.895  -1.348   2.107
   40    HA   CYS   6           HA       CYS   6  -7.247  -2.129   1.094
   41   1HB   CYS   6          2HB       CYS   6  -7.187  -2.588   3.827
   42   2HB   CYS   6          1HB       CYS   6  -6.452  -1.229   2.988
   43    H    ILE   7           H        ILE   7  -9.359  -3.588   0.268
   44    HA   ILE   7           HA       ILE   7  -8.803  -6.146   1.536
   45    HB   ILE   7           HB       ILE   7 -11.543  -4.957   1.255
   46   1HG1  ILE   7          2HG1      ILE   7 -10.457  -6.405   3.647
   47   2HG1  ILE   7          1HG1      ILE   7 -10.012  -4.726   3.357
   48   1HG2  ILE   7          1HG2      ILE   7 -12.396  -6.970   0.817
   49   2HG2  ILE   7          2HG2      ILE   7 -11.701  -7.581   2.318
   50   3HG2  ILE   7          3HG2      ILE   7 -10.776  -7.670   0.819
   51   1HD1  ILE   7          1HD1      ILE   7 -11.979  -5.174   4.899
   52   2HD1  ILE   7          2HD1      ILE   7 -12.874  -5.606   3.443
   53   3HD1  ILE   7          3HD1      ILE   7 -12.210  -3.982   3.620
   54    H    CYS   8           H        CYS   8  -7.647  -5.798  -0.679
   55    HA   CYS   8           HA       CYS   8  -9.287  -6.265  -3.008
   56   1HB   CYS   8          2HB       CYS   8  -6.530  -5.554  -2.448
   57   2HB   CYS   8          1HB       CYS   8  -6.643  -6.798  -3.684
   58    H    THR   9           H        THR   9  -7.129  -8.058  -0.923
   59    HA   THR   9           HA       THR   9  -8.379 -10.547  -1.414
   60    HB   THR   9           HB       THR   9  -7.117 -10.376  -3.536
   61    HG1  THR   9           1HG      THR   9  -6.080 -12.380  -3.338
   62   1HG2  THR   9          1HG2      THR   9  -4.951  -9.604  -1.775
   63   2HG2  THR   9          2HG2      THR   9  -5.138  -9.379  -3.514
   64   3HG2  THR   9          3HG2      THR   9  -4.512 -10.903  -2.882
   65    H    MET  10           H        MET  10  -6.342 -12.261  -0.804
   66    HA   MET  10           HA       MET  10  -5.271 -11.209   1.722
   67   1HB   MET  10          2HB       MET  10  -6.938 -13.584   1.224
   68   2HB   MET  10          1HB       MET  10  -5.495 -13.913   2.174
   69   1HG   MET  10          2HG       MET  10  -7.689 -13.290   3.375
   70   2HG   MET  10          1HG       MET  10  -6.173 -12.574   3.920
   71   1HE   MET  10          1HE       MET  10  -7.623  -9.308   4.573
   72   2HE   MET  10          2HE       MET  10  -6.853 -10.794   5.128
   73   3HE   MET  10          3HE       MET  10  -8.610 -10.706   4.998
   74    H    GLN  11           H        GLN  11  -4.310 -11.662  -1.124
   75    HA   GLN  11           HA       GLN  11  -2.343 -13.719  -1.023
   76   1HB   GLN  11          2HB       GLN  11  -2.523 -11.287  -2.815
   77   2HB   GLN  11          1HB       GLN  11  -1.474 -12.674  -3.078
   78   1HG   GLN  11          2HG       GLN  11  -4.317 -13.319  -2.758
   79   2HG   GLN  11          1HG       GLN  11  -3.923 -12.357  -4.182
   80   1HE2  GLN  11          1HE2      GLN  11  -4.655 -14.262  -5.340
   81   2HE2  GLN  11          2HE2      GLN  11  -3.548 -15.560  -5.614
   82    H    TYR  12           H        TYR  12  -1.873 -12.709   1.265
   83    HA   TYR  12           HA       TYR  12  -0.610 -10.656   2.144
   84   1HB   TYR  12          2HB       TYR  12  -0.563 -13.119   3.038
   85   2HB   TYR  12          1HB       TYR  12   1.060 -13.129   2.356
   86    HD1  TYR  12           1HD      TYR  12   2.590 -12.987   4.081
   87    HD2  TYR  12           2HD      TYR  12  -0.868 -10.511   4.200
   88    HE1  TYR  12           1HE      TYR  12   3.452 -11.890   6.105
   89    HE2  TYR  12           2HE      TYR  12  -0.016  -9.407   6.224
   90    HH   TYR  12           HH       TYR  12   2.898  -9.299   7.172
   91    H    ASP  13           H        ASP  13   0.092  -9.368   0.360
   92    HA   ASP  13           HA       ASP  13   2.833 -10.023  -0.510
   93   1HB   ASP  13          2HB       ASP  13   0.623  -9.672  -2.148
   94   2HB   ASP  13          1HB       ASP  13   1.410  -8.097  -2.190
   95    HA   PRO  14           HA       PRO  14   2.687  -6.207   2.184
   96   1HB   PRO  14          2HB       PRO  14   5.132  -6.804   3.330
   97   2HB   PRO  14          1HB       PRO  14   3.558  -7.213   4.018
   98   1HG   PRO  14          2HG       PRO  14   5.438  -8.914   2.436
   99   2HG   PRO  14          1HG       PRO  14   4.440  -9.346   3.838
  100   1HD   PRO  14          2HD       PRO  14   3.731 -10.039   1.341
  101   2HD   PRO  14          1HD       PRO  14   2.519  -9.579   2.556
  102    H    VAL  15           H        VAL  15   3.017  -4.744   0.605
  103    HA   VAL  15           HA       VAL  15   5.631  -4.589  -0.703
  104    HB   VAL  15           HB       VAL  15   4.514  -2.956  -2.172
  105   1HG1  VAL  15          1HG1      VAL  15   4.148  -5.731  -2.061
  106   2HG1  VAL  15          2HG1      VAL  15   4.017  -4.685  -3.474
  107   3HG1  VAL  15          3HG1      VAL  15   2.586  -5.047  -2.508
  108   1HG2  VAL  15          1HG2      VAL  15   1.926  -3.724  -0.865
  109   2HG2  VAL  15          2HG2      VAL  15   2.227  -2.435  -2.030
  110   3HG2  VAL  15          3HG2      VAL  15   2.829  -2.290  -0.380
  111    H    CYS  16           H        CYS  16   7.033  -3.133  -0.251
  112    HA   CYS  16           HA       CYS  16   6.589  -1.291   1.892
  113   1HB   CYS  16          2HB       CYS  16   8.787  -2.604   0.760
  114   2HB   CYS  16          1HB       CYS  16   9.061  -0.894   0.528
  115    H    GLY  17           H        GLY  17   5.747   0.641   1.666
  116   1HA   GLY  17          2HA       GLY  17   5.920   1.900  -0.970
  117   2HA   GLY  17          1HA       GLY  17   4.656   2.211   0.194
  118    H    SER  18           H        SER  18   6.750   3.776  -1.315
  119    HA   SER  18           HA       SER  18   8.697   4.891   0.184
  120   1HB   SER  18          2HB       SER  18   8.624   5.741  -1.972
  121   2HB   SER  18          1HB       SER  18   6.882   6.017  -1.913
  122    HG   SER  18           HG       SER  18   7.682   8.007  -1.691
  123    H    ASP  19           H        ASP  19   8.340   5.066   2.263
  124    HA   ASP  19           HA       ASP  19   7.515   7.370   3.442
  125   1HB   ASP  19          2HB       ASP  19   5.230   5.690   2.745
  126   2HB   ASP  19          1HB       ASP  19   5.303   6.029   4.471
  127    H    GLY  20           H        GLY  20   7.911   3.955   3.526
  128   1HA   GLY  20          2HA       GLY  20   9.414   2.943   5.080
  129   2HA   GLY  20          1HA       GLY  20   8.938   4.153   6.268
  130    H    ILE  21           H        ILE  21   6.573   2.587   4.234
  131    HA   ILE  21           HA       ILE  21   5.700   1.048   6.600
  132    HB   ILE  21           HB       ILE  21   3.864   2.251   4.548
  133   1HG1  ILE  21          2HG1      ILE  21   5.266   3.846   6.092
  134   2HG1  ILE  21          1HG1      ILE  21   3.543   4.126   5.863
  135   1HG2  ILE  21          1HG2      ILE  21   2.836   0.405   5.608
  136   2HG2  ILE  21          2HG2      ILE  21   2.188   1.846   6.392
  137   3HG2  ILE  21          3HG2      ILE  21   3.435   0.891   7.194
  138   1HD1  ILE  21          1HD1      ILE  21   3.105   3.800   8.017
  139   2HD1  ILE  21          2HD1      ILE  21   4.845   3.949   8.265
  140   3HD1  ILE  21          3HD1      ILE  21   4.112   2.354   8.093
  141    H    THR  22           H        THR  22   4.993  -1.004   6.329
  142    HA   THR  22           HA       THR  22   5.353  -2.167   3.656
  143    HB   THR  22           HB       THR  22   4.980  -3.880   6.069
  144    HG1  THR  22           1HG      THR  22   6.486  -2.547   6.914
  145   1HG2  THR  22          1HG2      THR  22   6.674  -4.034   3.598
  146   2HG2  THR  22          2HG2      THR  22   5.306  -5.051   4.045
  147   3HG2  THR  22          3HG2      THR  22   6.817  -5.158   4.949
  148    H    TYR  23           H        TYR  23   3.460  -1.923   2.649
  149    HA   TYR  23           HA       TYR  23   0.941  -2.304   3.987
  150   1HB   TYR  23          2HB       TYR  23   1.520  -1.892   1.054
  151   2HB   TYR  23          1HB       TYR  23  -0.018  -1.635   1.875
  152    HD1  TYR  23           1HD      TYR  23  -0.355   0.324   3.297
  153    HD2  TYR  23           2HD      TYR  23   3.368  -0.342   1.347
  154    HE1  TYR  23           1HE      TYR  23   0.339   2.624   3.833
  155    HE2  TYR  23           2HE      TYR  23   4.065   1.954   1.880
  156    HH   TYR  23           HH       TYR  23   3.558   3.717   3.434
  157    H    GLY  24           H        GLY  24  -0.049  -4.168   4.252
  158   1HA   GLY  24          2HA       GLY  24   0.805  -6.657   3.640
  159   2HA   GLY  24          1HA       GLY  24  -0.901  -6.260   3.787
  160    H    ASN  25           H        ASN  25  -0.694  -4.425   1.487
  161    HA   ASN  25           HA       ASN  25   0.037  -5.980  -0.789
  162   1HB   ASN  25          2HB       ASN  25  -2.893  -5.732  -0.093
  163   2HB   ASN  25          1HB       ASN  25  -2.310  -6.163  -1.698
  164   1HD2  ASN  25          1HD2      ASN  25  -3.777  -7.523   0.685
  165   2HD2  ASN  25          2HD2      ASN  25  -2.997  -9.058   0.773
  166    H    ALA  26           H        ALA  26  -0.009  -4.796  -2.704
  167    HA   ALA  26           HA       ALA  26   0.307  -2.065  -2.600
  168   1HB   ALA  26          1HB       ALA  26   0.205  -4.043  -4.632
  169   2HB   ALA  26          2HB       ALA  26   0.885  -2.417  -4.718
  170   3HB   ALA  26          3HB       ALA  26  -0.805  -2.690  -5.145
  171    H    CYS  27           H        CYS  27  -2.576  -3.943  -2.725
  172    HA   CYS  27           HA       CYS  27  -4.349  -1.797  -3.410
  173   1HB   CYS  27          2HB       CYS  27  -4.578  -4.666  -2.800
  174   2HB   CYS  27          1HB       CYS  27  -5.939  -3.694  -2.257
  175    H    MET  28           H        MET  28  -3.565  -3.625  -0.457
  176    HA   MET  28           HA       MET  28  -5.115  -2.242   1.374
  177   1HB   MET  28          2HB       MET  28  -2.288  -3.285   1.575
  178   2HB   MET  28          1HB       MET  28  -3.152  -2.627   2.948
  179   1HG   MET  28          2HG       MET  28  -4.857  -4.525   1.787
  180   2HG   MET  28          1HG       MET  28  -3.254  -5.256   1.851
  181   1HE   MET  28          1HE       MET  28  -2.751  -6.721   3.560
  182   2HE   MET  28          2HE       MET  28  -4.457  -7.156   3.676
  183   3HE   MET  28          3HE       MET  28  -3.525  -6.847   5.140
  184    H    LEU  29           H        LEU  29  -2.164  -1.506  -0.263
  185    HA   LEU  29           HA       LEU  29  -1.383   0.885   0.916
  186   1HB   LEU  29          2HB       LEU  29  -0.739  -0.670  -1.345
  187   2HB   LEU  29          1HB       LEU  29  -1.034   0.946  -1.929
  188    HG   LEU  29           HG       LEU  29   1.082  -0.003  -0.035
  189   1HD1  LEU  29          1HD1      LEU  29   0.970   1.527  -2.610
  190   2HD1  LEU  29          2HD1      LEU  29   1.829   0.031  -2.251
  191   3HD1  LEU  29          3HD1      LEU  29   2.397   1.560  -1.578
  192   1HD2  LEU  29          1HD2      LEU  29   0.097   2.829  -0.365
  193   2HD2  LEU  29          2HD2      LEU  29   1.613   2.380   0.413
  194   3HD2  LEU  29          3HD2      LEU  29   0.082   1.878   1.114
  195    H    LEU  30           H        LEU  30  -3.402   0.257  -1.905
  196    HA   LEU  30           HA       LEU  30  -4.098   2.832  -2.560
  197   1HB   LEU  30          2HB       LEU  30  -5.478   0.195  -2.769
  198   2HB   LEU  30          1HB       LEU  30  -6.433   1.633  -3.064
  199    HG   LEU  30           HG       LEU  30  -3.944   0.810  -4.551
  200   1HD1  LEU  30          1HD1      LEU  30  -5.689   0.802  -6.457
  201   2HD1  LEU  30          2HD1      LEU  30  -6.871   0.667  -5.154
  202   3HD1  LEU  30          3HD1      LEU  30  -5.628  -0.569  -5.348
  203   1HD2  LEU  30          1HD2      LEU  30  -5.422   3.346  -4.400
  204   2HD2  LEU  30          2HD2      LEU  30  -5.077   2.773  -6.031
  205   3HD2  LEU  30          3HD2      LEU  30  -3.758   3.026  -4.889
  206    H    CYS  31           H        CYS  31  -5.140   0.814   0.108
  207    HA   CYS  31           HA       CYS  31  -7.235   2.608   0.953
  208   1HB   CYS  31          2HB       CYS  31  -6.867   0.066   1.537
  209   2HB   CYS  31          1HB       CYS  31  -5.876   0.717   2.841
  210    H    ALA  32           H        ALA  32  -3.829   2.173   1.531
  211    HA   ALA  32           HA       ALA  32  -3.570   3.934   3.736
  212   1HB   ALA  32          1HB       ALA  32  -1.130   4.039   2.756
  213   2HB   ALA  32          2HB       ALA  32  -1.703   2.678   1.791
  214   3HB   ALA  32          3HB       ALA  32  -1.726   2.583   3.552
  215    H    SER  33           H        SER  33  -2.651   4.366   0.322
  216    HA   SER  33           HA       SER  33  -2.141   7.081   0.396
  217   1HB   SER  33          2HB       SER  33  -1.932   5.366  -1.567
  218   2HB   SER  33          1HB       SER  33  -3.569   5.885  -1.964
  219    HG   SER  33           HG       SER  33  -1.782   7.926  -1.463
  220    H    ALA  34           H        ALA  34  -5.132   5.396   0.637
  221    HA   ALA  34           HA       ALA  34  -6.809   7.607  -0.079
  222   1HB   ALA  34          1HB       ALA  34  -7.633   5.394  -0.457
  223   2HB   ALA  34          2HB       ALA  34  -8.639   6.155   0.775
  224   3HB   ALA  34          3HB       ALA  34  -7.415   4.973   1.242
  225    H    ARG  35           H        ARG  35  -5.740   6.158   2.976
  226    HA   ARG  35           HA       ARG  35  -6.261   8.645   4.344
  227   1HB   ARG  35          2HB       ARG  35  -7.628   7.224   6.110
  228   2HB   ARG  35          1HB       ARG  35  -8.417   8.001   4.745
  229   1HG   ARG  35          2HG       ARG  35  -9.271   5.786   4.930
  230   2HG   ARG  35          1HG       ARG  35  -8.235   5.851   3.502
  231   1HD   ARG  35          2HD       ARG  35  -7.559   3.880   4.497
  232   2HD   ARG  35          1HD       ARG  35  -6.384   5.033   5.130
  233    HE   ARG  35           HE       ARG  35  -8.253   5.082   7.035
  234   1HH1  ARG  35          1HH1      ARG  35  -6.728   2.417   5.390
  235   2HH1  ARG  35          2HH1      ARG  35  -6.864   1.338   6.739
  236   1HH2  ARG  35          1HH2      ARG  35  -8.435   3.668   8.818
  237   2HH2  ARG  35          2HH2      ARG  35  -7.835   2.049   8.687
  238    H    SER  36           H        SER  36  -3.844   7.569   4.032
  239    HA   SER  36           HA       SER  36  -3.219   5.991   6.409
  240   1HB   SER  36          2HB       SER  36  -2.272   5.340   4.200
  241   2HB   SER  36          1HB       SER  36  -1.377   6.856   4.171
  242    HG   SER  36           HG       SER  36  -0.668   4.584   5.308
  243    H    ASP  37           H        ASP  37  -1.301   8.549   4.884
  244    HA   ASP  37           HA       ASP  37  -1.580  10.406   7.004
  245   1HB   ASP  37          2HB       ASP  37  -0.231   8.646   8.153
  246   2HB   ASP  37          1HB       ASP  37   1.040   8.899   6.961
  247    H    THR  38           H        THR  38   0.401   9.186   4.366
  248    HA   THR  38           HA       THR  38   0.518  11.835   3.216
  249    HB   THR  38           HB       THR  38   3.200  10.741   3.161
  250    HG1  THR  38           1HG      THR  38   3.678  10.757   5.264
  251   1HG2  THR  38          1HG2      THR  38   3.163  13.144   4.596
  252   2HG2  THR  38          2HG2      THR  38   1.922  13.290   3.351
  253   3HG2  THR  38          3HG2      THR  38   3.582  12.898   2.900
  254    HA   PRO  39           HA       PRO  39   0.367   9.759  -0.645
  255   1HB   PRO  39          2HB       PRO  39   2.635  11.425  -1.585
  256   2HB   PRO  39          1HB       PRO  39   1.004  11.269  -2.246
  257   1HG   PRO  39          2HG       PRO  39   1.732  13.458  -0.910
  258   2HG   PRO  39          1HG       PRO  39   0.104  12.779  -0.734
  259   1HD   PRO  39          2HD       PRO  39   2.447  12.589   1.117
  260   2HD   PRO  39          1HD       PRO  39   0.725  12.804   1.496
  261    H    ILE  40           H        ILE  40   1.156   7.709  -0.001
  262    HA   ILE  40           HA       ILE  40   3.962   7.166   0.158
  263    HB   ILE  40           HB       ILE  40   3.306   4.854   0.412
  264   1HG1  ILE  40          2HG1      ILE  40   1.106   5.652  -1.177
  265   2HG1  ILE  40          1HG1      ILE  40   1.497   4.035  -0.615
  266   1HG2  ILE  40          1HG2      ILE  40   1.808   6.939   1.933
  267   2HG2  ILE  40          2HG2      ILE  40   3.147   5.915   2.451
  268   3HG2  ILE  40          3HG2      ILE  40   1.531   5.233   2.284
  269   1HD1  ILE  40          1HD1      ILE  40   0.209   4.546   1.468
  270   2HD1  ILE  40          2HD1      ILE  40  -0.751   4.501  -0.011
  271   3HD1  ILE  40          3HD1      ILE  40  -0.300   6.051   0.702
  272    H    GLU  41           H        GLU  41   5.149   5.751  -1.250
  273    HA   GLU  41           HA       GLU  41   4.020   5.316  -3.918
  274   1HB   GLU  41          2HB       GLU  41   6.263   7.153  -3.264
  275   2HB   GLU  41          1HB       GLU  41   6.434   6.159  -4.705
  276   1HG   GLU  41          2HG       GLU  41   4.745   7.216  -5.810
  277   2HG   GLU  41          1HG       GLU  41   3.896   7.648  -4.325
  278    H    LEU  42           H        LEU  42   4.109   3.121  -3.745
  279    HA   LEU  42           HA       LEU  42   5.750   1.433  -2.532
  280   1HB   LEU  42          2HB       LEU  42   4.115   1.250  -4.810
  281   2HB   LEU  42          1HB       LEU  42   5.613   0.440  -5.190
  282    HG   LEU  42           HG       LEU  42   3.551  -0.822  -4.077
  283   1HD1  LEU  42          1HD1      LEU  42   4.980  -2.523  -4.089
  284   2HD1  LEU  42          2HD1      LEU  42   5.995  -1.781  -2.852
  285   3HD1  LEU  42          3HD1      LEU  42   6.217  -1.353  -4.548
  286   1HD2  LEU  42          1HD2      LEU  42   3.417  -0.794  -1.812
  287   2HD2  LEU  42          2HD2      LEU  42   4.013   0.849  -2.046
  288   3HD2  LEU  42          3HD2      LEU  42   5.130  -0.438  -1.603
  289    H    VAL  43           H        VAL  43   7.650   0.333  -2.845
  290    HA   VAL  43           HA       VAL  43   9.512   1.407  -4.831
  291    HB   VAL  43           HB       VAL  43  11.076   1.077  -2.536
  292   1HG1  VAL  43          1HG1      VAL  43  11.457   2.623  -4.402
  293   2HG1  VAL  43          2HG1      VAL  43  11.569   3.429  -2.838
  294   3HG1  VAL  43          3HG1      VAL  43  10.123   3.624  -3.829
  295   1HG2  VAL  43          1HG2      VAL  43  10.144   2.342  -0.817
  296   2HG2  VAL  43          2HG2      VAL  43   8.801   1.338  -1.363
  297   3HG2  VAL  43          3HG2      VAL  43   8.902   3.026  -1.866
  298    H    HIS  44           H        HIS  44   8.856  -1.018  -2.345
  299    HA   HIS  44           HA       HIS  44  10.081  -3.024  -4.030
  300   1HB   HIS  44          2HB       HIS  44  10.996  -3.695  -1.454
  301   2HB   HIS  44          1HB       HIS  44  11.963  -3.243  -2.852
  302    HD1  HIS  44           1HD      HIS  44  12.840  -0.803  -2.949
  303    HD2  HIS  44           2HD      HIS  44  10.736  -1.748   0.506
  304    HE1  HIS  44           1HE      HIS  44  13.322   1.066  -1.338
  305    HE2  HIS  44           2HE      HIS  44  12.027   0.484   0.742
  306    H    LYS  45           H        LYS  45   8.730  -4.653  -4.154
  307    HA   LYS  45           HA       LYS  45   6.437  -4.868  -2.507
  308   1HB   LYS  45          2HB       LYS  45   7.616  -6.827  -4.481
  309   2HB   LYS  45          1HB       LYS  45   6.020  -6.969  -3.757
  310   1HG   LYS  45          2HG       LYS  45   5.488  -4.722  -4.763
  311   2HG   LYS  45          1HG       LYS  45   7.000  -4.865  -5.664
  312   1HD   LYS  45          2HD       LYS  45   5.741  -7.297  -6.077
  313   2HD   LYS  45          1HD       LYS  45   4.425  -6.123  -6.135
  314   1HE   LYS  45          2HE       LYS  45   6.036  -4.792  -7.682
  315   2HE   LYS  45          1HE       LYS  45   6.846  -6.346  -7.880
  316   1HZ   LYS  45          1HZ       LYS  45   4.571  -7.236  -8.480
  317   2HZ   LYS  45          2HZ       LYS  45   5.298  -6.216  -9.614
  318   3HZ   LYS  45          3HZ       LYS  45   4.070  -5.626  -8.612
  319    H    GLY  46           H        GLY  46   7.801  -4.891  -0.464
  320   1HA   GLY  46          2HA       GLY  46   7.557  -7.344   0.817
  321   2HA   GLY  46          1HA       GLY  46   9.234  -7.200   0.297
  322    H    ARG  47           H        ARG  47   9.547  -7.270   2.704
  323    HA   ARG  47           HA       ARG  47   8.826  -4.846   4.106
  324   1HB   ARG  47          2HB       ARG  47  10.635  -7.072   5.058
  325   2HB   ARG  47          1HB       ARG  47   9.828  -5.862   6.047
  326   1HG   ARG  47          2HG       ARG  47   7.740  -6.847   5.774
  327   2HG   ARG  47          1HG       ARG  47   8.254  -7.762   4.355
  328   1HD   ARG  47          2HD       ARG  47   9.860  -8.968   5.928
  329   2HD   ARG  47          1HD       ARG  47   8.931  -8.249   7.243
  330    HE   ARG  47           HE       ARG  47   7.089  -9.462   5.592
  331   1HH1  ARG  47          1HH1      ARG  47   9.859 -10.446   7.460
  332   2HH1  ARG  47          2HH1      ARG  47   9.257 -12.045   7.750
  333   1HH2  ARG  47          1HH2      ARG  47   6.286 -11.562   5.969
  334   2HH2  ARG  47          2HH2      ARG  47   7.225 -12.680   6.902
  335    H    CYS  48           H        CYS  48  10.084  -3.853   2.156
  336    HA   CYS  48           HA       CYS  48  11.964  -2.830   1.331
  337   1HB   CYS  48          2HB       CYS  48  11.775  -2.170   4.238
  338   2HB   CYS  48          1HB       CYS  48  13.046  -1.458   3.251
  Start of MODEL   12
    1   1H    LYS   1          1HT       LYS   1  -8.151   6.211  -7.860
    2   2H    LYS   1          2HT       LYS   1  -7.193   5.603  -9.147
    3   3H    LYS   1          3HT       LYS   1  -7.952   7.135  -9.289
    4    HA   LYS   1           HA       LYS   1  -5.491   6.396  -8.072
    5   1HB   LYS   1          2HB       LYS   1  -6.648   8.399  -9.721
    6   2HB   LYS   1          1HB       LYS   1  -6.008   9.207  -8.297
    7   1HG   LYS   1          2HG       LYS   1  -4.022   7.408  -9.068
    8   2HG   LYS   1          1HG       LYS   1  -4.620   8.120 -10.568
    9   1HD   LYS   1          2HD       LYS   1  -4.177  10.003  -8.343
   10   2HD   LYS   1          1HD       LYS   1  -2.726   9.252  -9.011
   11   1HE   LYS   1          2HE       LYS   1  -3.085  11.273 -10.213
   12   2HE   LYS   1          1HE       LYS   1  -3.530   9.945 -11.284
   13   1HZ   LYS   1          1HZ       LYS   1  -5.517  11.409  -9.648
   14   2HZ   LYS   1          2HZ       LYS   1  -5.806  10.368 -10.949
   15   3HZ   LYS   1          3HZ       LYS   1  -5.103  11.883 -11.219
   16    HA   PRO   2           HA       PRO   2  -7.219   9.420  -4.629
   17   1HB   PRO   2          2HB       PRO   2 -10.127   9.021  -5.000
   18   2HB   PRO   2          1HB       PRO   2  -9.228  10.507  -4.676
   19   1HG   PRO   2          2HG       PRO   2 -10.278  10.018  -7.088
   20   2HG   PRO   2          1HG       PRO   2  -8.719  10.844  -6.906
   21   1HD   PRO   2          2HD       PRO   2  -9.286   8.005  -7.658
   22   2HD   PRO   2          1HD       PRO   2  -8.049   9.114  -8.287
   23    H    ASP   3           H        ASP   3  -9.131   8.897  -2.783
   24    HA   ASP   3           HA       ASP   3  -8.294   6.636  -1.482
   25   1HB   ASP   3          2HB       ASP   3 -10.161   6.878  -0.025
   26   2HB   ASP   3          1HB       ASP   3  -9.744   8.504  -0.561
   27    H    ALA   4           H        ALA   4  -8.240   4.647  -2.297
   28    HA   ALA   4           HA       ALA   4 -10.679   3.611  -3.589
   29   1HB   ALA   4          1HB       ALA   4  -7.960   3.692  -4.526
   30   2HB   ALA   4          2HB       ALA   4  -9.428   3.226  -5.383
   31   3HB   ALA   4          3HB       ALA   4  -8.542   2.030  -4.438
   32    HA   PRO   5           HA       PRO   5 -10.899   0.450  -0.538
   33   1HB   PRO   5          2HB       PRO   5 -11.723  -1.666  -2.085
   34   2HB   PRO   5          1HB       PRO   5 -12.792  -0.380  -1.515
   35   1HG   PRO   5          2HG       PRO   5 -11.464  -0.702  -4.177
   36   2HG   PRO   5          1HG       PRO   5 -13.116  -0.174  -3.805
   37   1HD   PRO   5          2HD       PRO   5 -11.189   1.582  -4.453
   38   2HD   PRO   5          1HD       PRO   5 -12.439   1.974  -3.254
   39    H    CYS   6           H        CYS   6  -9.888  -1.499   0.174
   40    HA   CYS   6           HA       CYS   6  -7.478  -2.184  -1.376
   41   1HB   CYS   6          2HB       CYS   6  -6.586  -2.883   0.936
   42   2HB   CYS   6          1HB       CYS   6  -6.696  -1.161   0.583
   43    H    ILE   7           H        ILE   7  -8.987  -3.752  -2.438
   44    HA   ILE   7           HA       ILE   7  -8.953  -6.259  -0.917
   45    HB   ILE   7           HB       ILE   7 -11.280  -5.261  -2.548
   46   1HG1  ILE   7          2HG1      ILE   7 -11.813  -6.190   0.157
   47   2HG1  ILE   7          1HG1      ILE   7 -10.649  -4.869   0.143
   48   1HG2  ILE   7          1HG2      ILE   7 -12.020  -7.600  -1.250
   49   2HG2  ILE   7          2HG2      ILE   7 -10.406  -7.941  -1.875
   50   3HG2  ILE   7          3HG2      ILE   7 -11.683  -7.415  -2.972
   51   1HD1  ILE   7          1HD1      ILE   7 -13.054  -4.514  -1.524
   52   2HD1  ILE   7          2HD1      ILE   7 -12.178  -3.355  -0.524
   53   3HD1  ILE   7          3HD1      ILE   7 -13.289  -4.503   0.224
   54    H    CYS   8           H        CYS   8  -6.945  -5.870  -2.548
   55    HA   CYS   8           HA       CYS   8  -7.488  -6.718  -5.251
   56   1HB   CYS   8          2HB       CYS   8  -4.978  -6.218  -3.655
   57   2HB   CYS   8          1HB       CYS   8  -4.919  -6.901  -5.270
   58    H    THR   9           H        THR   9  -6.311  -8.076  -2.268
   59    HA   THR   9           HA       THR   9  -7.115 -10.707  -2.889
   60    HB   THR   9           HB       THR   9  -5.214 -10.904  -4.256
   61    HG1  THR   9           1HG      THR   9  -4.564 -12.640  -3.308
   62   1HG2  THR   9          1HG2      THR   9  -3.978  -9.062  -2.387
   63   2HG2  THR   9          2HG2      THR   9  -3.636  -9.352  -4.092
   64   3HG2  THR   9          3HG2      THR   9  -2.930 -10.398  -2.860
   65    H    MET  10           H        MET  10  -7.184 -11.958  -1.058
   66    HA   MET  10           HA       MET  10  -6.476 -10.578   1.407
   67   1HB   MET  10          2HB       MET  10  -8.342 -12.774   0.668
   68   2HB   MET  10          1HB       MET  10  -7.653 -12.829   2.285
   69   1HG   MET  10          2HG       MET  10  -8.475 -10.530   2.669
   70   2HG   MET  10          1HG       MET  10  -9.252 -10.580   1.087
   71   1HE   MET  10          1HE       MET  10 -10.721 -13.677   1.064
   72   2HE   MET  10          2HE       MET  10 -10.955 -12.076   0.363
   73   3HE   MET  10          3HE       MET  10 -12.207 -12.782   1.386
   74    H    GLN  11           H        GLN  11  -4.572 -11.924  -0.514
   75    HA   GLN  11           HA       GLN  11  -3.565 -14.192   0.929
   76   1HB   GLN  11          2HB       GLN  11  -2.657 -12.646  -1.476
   77   2HB   GLN  11          1HB       GLN  11  -1.597 -13.831  -0.727
   78   1HG   GLN  11          2HG       GLN  11  -4.292 -14.829  -1.223
   79   2HG   GLN  11          1HG       GLN  11  -3.433 -14.340  -2.683
   80   1HE2  GLN  11          1HE2      GLN  11  -0.858 -14.986  -2.068
   81   2HE2  GLN  11          2HE2      GLN  11  -0.709 -16.697  -1.873
   82    H    TYR  12           H        TYR  12  -1.037 -12.144  -0.110
   83    HA   TYR  12           HA       TYR  12  -0.636 -10.520   2.108
   84   1HB   TYR  12          2HB       TYR  12  -0.485 -12.925   3.112
   85   2HB   TYR  12          1HB       TYR  12   1.117 -12.938   2.380
   86    HD1  TYR  12           1HD      TYR  12   1.253 -13.339   5.106
   87    HD2  TYR  12           2HD      TYR  12   0.644  -9.628   3.115
   88    HE1  TYR  12           1HE      TYR  12   2.146 -12.148   7.062
   89    HE2  TYR  12           2HE      TYR  12   1.535  -8.428   5.065
   90    HH   TYR  12           HH       TYR  12   1.713  -8.974   7.638
   91    H    ASP  13           H        ASP  13  -0.068  -9.388   0.087
   92    HA   ASP  13           HA       ASP  13   2.665  -9.996  -0.820
   93   1HB   ASP  13          2HB       ASP  13   0.326  -9.384  -2.269
   94   2HB   ASP  13          1HB       ASP  13   1.339  -7.947  -2.367
   95    HA   PRO  14           HA       PRO  14   2.769  -6.319   2.066
   96   1HB   PRO  14          2HB       PRO  14   5.219  -7.070   3.095
   97   2HB   PRO  14          1HB       PRO  14   3.650  -7.426   3.820
   98   1HG   PRO  14          2HG       PRO  14   5.406  -9.154   2.144
   99   2HG   PRO  14          1HG       PRO  14   4.394  -9.588   3.534
  100   1HD   PRO  14          2HD       PRO  14   3.656 -10.132   1.001
  101   2HD   PRO  14          1HD       PRO  14   2.473  -9.713   2.255
  102    H    VAL  15           H        VAL  15   3.086  -4.860   0.409
  103    HA   VAL  15           HA       VAL  15   5.739  -4.696  -0.823
  104    HB   VAL  15           HB       VAL  15   4.724  -3.184  -2.397
  105   1HG1  VAL  15          1HG1      VAL  15   3.511  -5.824  -1.905
  106   2HG1  VAL  15          2HG1      VAL  15   4.354  -5.211  -3.327
  107   3HG1  VAL  15          3HG1      VAL  15   2.669  -4.775  -3.045
  108   1HG2  VAL  15          1HG2      VAL  15   2.172  -3.471  -0.829
  109   2HG2  VAL  15          2HG2      VAL  15   2.395  -2.532  -2.306
  110   3HG2  VAL  15          3HG2      VAL  15   3.213  -2.048  -0.821
  111    H    CYS  16           H        CYS  16   7.112  -3.208  -0.334
  112    HA   CYS  16           HA       CYS  16   6.594  -1.411   1.829
  113   1HB   CYS  16          2HB       CYS  16   8.830  -2.671   0.717
  114   2HB   CYS  16          1HB       CYS  16   9.087  -0.954   0.518
  115    H    GLY  17           H        GLY  17   5.747   0.531   1.641
  116   1HA   GLY  17          2HA       GLY  17   5.961   1.862  -0.958
  117   2HA   GLY  17          1HA       GLY  17   4.670   2.129   0.193
  118    H    SER  18           H        SER  18   6.811   3.765  -1.206
  119    HA   SER  18           HA       SER  18   8.707   4.812   0.417
  120   1HB   SER  18          2HB       SER  18   8.488   5.581  -1.865
  121   2HB   SER  18          1HB       SER  18   6.914   6.294  -1.518
  122    HG   SER  18           HG       SER  18   8.563   7.333   0.221
  123    H    ASP  19           H        ASP  19   8.288   4.917   2.462
  124    HA   ASP  19           HA       ASP  19   7.385   7.143   3.733
  125   1HB   ASP  19          2HB       ASP  19   5.145   5.837   2.708
  126   2HB   ASP  19          1HB       ASP  19   5.194   5.326   4.392
  127    H    GLY  20           H        GLY  20   7.824   3.731   3.619
  128   1HA   GLY  20          2HA       GLY  20   9.323   2.626   5.096
  129   2HA   GLY  20          1HA       GLY  20   8.877   3.774   6.353
  130    H    ILE  21           H        ILE  21   6.417   2.363   4.328
  131    HA   ILE  21           HA       ILE  21   5.659   0.656   6.623
  132    HB   ILE  21           HB       ILE  21   3.967   2.485   4.967
  133   1HG1  ILE  21          2HG1      ILE  21   3.146   3.228   7.063
  134   2HG1  ILE  21          1HG1      ILE  21   3.758   1.804   7.895
  135   1HG2  ILE  21          1HG2      ILE  21   2.877   0.346   4.668
  136   2HG2  ILE  21          2HG2      ILE  21   1.938   1.339   5.784
  137   3HG2  ILE  21          3HG2      ILE  21   2.950   0.034   6.403
  138   1HD1  ILE  21          1HD1      ILE  21   5.890   2.611   7.990
  139   2HD1  ILE  21          2HD1      ILE  21   4.963   4.105   8.102
  140   3HD1  ILE  21          3HD1      ILE  21   5.688   3.631   6.566
  141    H    THR  22           H        THR  22   5.404  -1.422   6.235
  142    HA   THR  22           HA       THR  22   5.488  -2.383   3.484
  143    HB   THR  22           HB       THR  22   5.307  -4.165   5.900
  144    HG1  THR  22           1HG      THR  22   7.720  -4.059   5.713
  145   1HG2  THR  22          1HG2      THR  22   6.360  -4.415   3.128
  146   2HG2  THR  22          2HG2      THR  22   5.313  -5.498   4.045
  147   3HG2  THR  22          3HG2      THR  22   7.033  -5.407   4.422
  148    H    TYR  23           H        TYR  23   3.533  -2.091   2.584
  149    HA   TYR  23           HA       TYR  23   1.094  -2.606   4.012
  150   1HB   TYR  23          2HB       TYR  23   1.491  -2.015   1.081
  151   2HB   TYR  23          1HB       TYR  23   0.018  -1.799   2.024
  152    HD1  TYR  23           1HD      TYR  23  -0.179   0.040   3.621
  153    HD2  TYR  23           2HD      TYR  23   3.340  -0.471   1.289
  154    HE1  TYR  23           1HE      TYR  23   0.558   2.297   4.246
  155    HE2  TYR  23           2HE      TYR  23   4.085   1.784   1.906
  156    HH   TYR  23           HH       TYR  23   2.385   3.691   4.303
  157    H    GLY  24           H        GLY  24   0.104  -4.472   4.186
  158   1HA   GLY  24          2HA       GLY  24   0.975  -6.909   3.376
  159   2HA   GLY  24          1HA       GLY  24  -0.724  -6.551   3.651
  160    H    ASN  25           H        ASN  25  -0.614  -4.540   1.446
  161    HA   ASN  25           HA       ASN  25  -0.002  -5.926  -0.945
  162   1HB   ASN  25          2HB       ASN  25  -2.800  -5.702  -1.272
  163   2HB   ASN  25          1HB       ASN  25  -1.837  -7.175  -1.239
  164   1HD2  ASN  25          1HD2      ASN  25  -3.647  -8.243  -0.317
  165   2HD2  ASN  25          2HD2      ASN  25  -4.016  -8.070   1.359
  166    H    ALA  26           H        ALA  26  -0.220  -4.639  -2.756
  167    HA   ALA  26           HA       ALA  26   0.006  -1.923  -2.537
  168   1HB   ALA  26          1HB       ALA  26  -1.330  -3.077  -4.955
  169   2HB   ALA  26          2HB       ALA  26   0.346  -3.483  -4.586
  170   3HB   ALA  26          3HB       ALA  26  -0.118  -1.801  -4.850
  171    H    CYS  27           H        CYS  27  -2.835  -3.860  -2.501
  172    HA   CYS  27           HA       CYS  27  -4.713  -1.750  -2.961
  173   1HB   CYS  27          2HB       CYS  27  -4.830  -4.607  -2.528
  174   2HB   CYS  27          1HB       CYS  27  -6.024  -3.762  -1.547
  175    H    MET  28           H        MET  28  -3.762  -3.643  -0.101
  176    HA   MET  28           HA       MET  28  -5.117  -2.223   1.855
  177   1HB   MET  28          2HB       MET  28  -2.451  -3.586   1.768
  178   2HB   MET  28          1HB       MET  28  -2.880  -2.655   3.185
  179   1HG   MET  28          2HG       MET  28  -4.992  -3.986   3.349
  180   2HG   MET  28          1HG       MET  28  -4.336  -5.045   2.109
  181   1HE   MET  28          1HE       MET  28  -4.985  -4.490   5.538
  182   2HE   MET  28          2HE       MET  28  -4.007  -5.681   6.394
  183   3HE   MET  28          3HE       MET  28  -5.167  -6.206   5.174
  184    H    LEU  29           H        LEU  29  -2.306  -1.546  -0.009
  185    HA   LEU  29           HA       LEU  29  -1.351   0.770   1.214
  186   1HB   LEU  29          2HB       LEU  29  -0.906  -0.749  -1.127
  187   2HB   LEU  29          1HB       LEU  29  -1.143   0.906  -1.632
  188    HG   LEU  29           HG       LEU  29   1.006  -0.242   0.092
  189   1HD1  LEU  29          1HD1      LEU  29   2.365   1.199  -1.426
  190   2HD1  LEU  29          2HD1      LEU  29   0.883   1.585  -2.299
  191   3HD1  LEU  29          3HD1      LEU  29   1.469  -0.077  -2.251
  192   1HD2  LEU  29          1HD2      LEU  29   1.679   2.066   0.647
  193   2HD2  LEU  29          2HD2      LEU  29   0.156   1.622   1.394
  194   3HD2  LEU  29          3HD2      LEU  29   0.166   2.656  -0.029
  195    H    LEU  30           H        LEU  30  -3.493   0.289  -1.538
  196    HA   LEU  30           HA       LEU  30  -4.167   2.904  -2.062
  197   1HB   LEU  30          2HB       LEU  30  -5.683   0.319  -2.254
  198   2HB   LEU  30          1HB       LEU  30  -6.490   1.829  -2.621
  199    HG   LEU  30           HG       LEU  30  -3.908   1.281  -3.988
  200   1HD1  LEU  30          1HD1      LEU  30  -6.059   0.231  -5.555
  201   2HD1  LEU  30          2HD1      LEU  30  -5.969  -0.626  -4.016
  202   3HD1  LEU  30          3HD1      LEU  30  -4.552  -0.545  -5.064
  203   1HD2  LEU  30          1HD2      LEU  30  -5.770   2.178  -5.800
  204   2HD2  LEU  30          2HD2      LEU  30  -4.614   3.180  -4.922
  205   3HD2  LEU  30          3HD2      LEU  30  -6.252   2.975  -4.302
  206    H    CYS  31           H        CYS  31  -5.154   0.742   0.497
  207    HA   CYS  31           HA       CYS  31  -7.181   2.491   1.554
  208   1HB   CYS  31          2HB       CYS  31  -6.009  -0.112   2.250
  209   2HB   CYS  31          1HB       CYS  31  -6.416   0.874   3.652
  210    H    ALA  32           H        ALA  32  -3.773   1.931   1.994
  211    HA   ALA  32           HA       ALA  32  -3.367   3.471   4.322
  212   1HB   ALA  32          1HB       ALA  32  -1.112   3.461   2.501
  213   2HB   ALA  32          2HB       ALA  32  -1.810   1.856   2.709
  214   3HB   ALA  32          3HB       ALA  32  -1.261   2.767   4.115
  215    H    SER  33           H        SER  33  -2.672   4.214   0.913
  216    HA   SER  33           HA       SER  33  -2.026   6.900   1.260
  217   1HB   SER  33          2HB       SER  33  -1.932   5.316  -0.853
  218   2HB   SER  33          1HB       SER  33  -3.504   6.040  -1.199
  219    HG   SER  33           HG       SER  33  -1.295   7.059  -1.886
  220    H    ALA  34           H        ALA  34  -5.103   5.325   1.361
  221    HA   ALA  34           HA       ALA  34  -6.584   7.788   0.932
  222   1HB   ALA  34          1HB       ALA  34  -8.550   6.456   0.991
  223   2HB   ALA  34          2HB       ALA  34  -7.685   5.102   1.718
  224   3HB   ALA  34          3HB       ALA  34  -7.344   5.575   0.054
  225    H    ARG  35           H        ARG  35  -5.267   6.112   3.634
  226    HA   ARG  35           HA       ARG  35  -6.832   7.865   5.410
  227   1HB   ARG  35          2HB       ARG  35  -6.992   6.075   7.068
  228   2HB   ARG  35          1HB       ARG  35  -7.777   5.622   5.561
  229   1HG   ARG  35          2HG       ARG  35  -6.642   3.708   5.844
  230   2HG   ARG  35          1HG       ARG  35  -5.313   4.627   5.133
  231   1HD   ARG  35          2HD       ARG  35  -4.872   3.328   7.302
  232   2HD   ARG  35          1HD       ARG  35  -4.295   4.990   7.187
  233    HE   ARG  35           HE       ARG  35  -5.770   5.587   8.840
  234   1HH1  ARG  35          1HH1      ARG  35  -6.569   2.412   7.658
  235   2HH1  ARG  35          2HH1      ARG  35  -7.711   2.085   8.919
  236   1HH2  ARG  35          1HH2      ARG  35  -7.271   5.171  10.506
  237   2HH2  ARG  35          2HH2      ARG  35  -8.111   3.657  10.540
  238    H    SER  36           H        SER  36  -3.949   7.712   4.291
  239    HA   SER  36           HA       SER  36  -2.466   7.530   6.791
  240   1HB   SER  36          2HB       SER  36  -1.547   6.431   4.804
  241   2HB   SER  36          1HB       SER  36  -1.495   7.972   3.957
  242    HG   SER  36           HG       SER  36   0.252   6.927   5.759
  243    H    ASP  37           H        ASP  37  -1.450   9.741   4.308
  244    HA   ASP  37           HA       ASP  37  -2.552  12.126   5.227
  245   1HB   ASP  37          2HB       ASP  37  -0.526  13.050   6.413
  246   2HB   ASP  37          1HB       ASP  37  -1.403  11.813   7.308
  247    H    THR  38           H        THR  38   0.223  10.467   3.908
  248    HA   THR  38           HA       THR  38   0.395  12.491   1.787
  249    HB   THR  38           HB       THR  38   2.258  12.667   3.536
  250    HG1  THR  38           1HG      THR  38   2.417  13.496   1.390
  251   1HG2  THR  38          1HG2      THR  38   3.963  11.138   3.651
  252   2HG2  THR  38          2HG2      THR  38   3.544  10.390   2.110
  253   3HG2  THR  38          3HG2      THR  38   2.549  10.090   3.536
  254    HA   PRO  39           HA       PRO  39  -0.328   8.952  -0.785
  255   1HB   PRO  39          2HB       PRO  39   1.157  10.616  -2.762
  256   2HB   PRO  39          1HB       PRO  39  -0.416   9.823  -2.913
  257   1HG   PRO  39          2HG       PRO  39  -0.257  12.453  -2.548
  258   2HG   PRO  39          1HG       PRO  39  -1.521  11.499  -1.749
  259   1HD   PRO  39          2HD       PRO  39   0.990  12.652  -0.615
  260   2HD   PRO  39          1HD       PRO  39  -0.613  12.484   0.131
  261    H    ILE  40           H        ILE  40   1.119   7.492   0.226
  262    HA   ILE  40           HA       ILE  40   3.885   7.503   0.090
  263    HB   ILE  40           HB       ILE  40   3.812   5.136   0.551
  264   1HG1  ILE  40          2HG1      ILE  40   2.145   4.602  -1.232
  265   2HG1  ILE  40          1HG1      ILE  40   1.833   3.805   0.300
  266   1HG2  ILE  40          1HG2      ILE  40   1.422   5.608   2.058
  267   2HG2  ILE  40          2HG2      ILE  40   2.401   7.075   2.014
  268   3HG2  ILE  40          3HG2      ILE  40   3.096   5.567   2.607
  269   1HD1  ILE  40          1HD1      ILE  40   0.376   6.120  -0.912
  270   2HD1  ILE  40          2HD1      ILE  40   0.200   5.670   0.784
  271   3HD1  ILE  40          3HD1      ILE  40  -0.252   4.529  -0.483
  272    H    GLU  41           H        GLU  41   5.182   5.782  -1.178
  273    HA   GLU  41           HA       GLU  41   4.149   5.371  -3.882
  274   1HB   GLU  41          2HB       GLU  41   6.350   7.233  -3.181
  275   2HB   GLU  41          1HB       GLU  41   6.583   6.225  -4.603
  276   1HG   GLU  41          2HG       GLU  41   4.413   7.055  -5.476
  277   2HG   GLU  41          1HG       GLU  41   4.333   8.160  -4.104
  278    H    LEU  42           H        LEU  42   4.267   3.199  -3.841
  279    HA   LEU  42           HA       LEU  42   5.829   1.462  -2.583
  280   1HB   LEU  42          2HB       LEU  42   4.447   1.420  -5.083
  281   2HB   LEU  42          1HB       LEU  42   5.917   0.489  -5.205
  282    HG   LEU  42           HG       LEU  42   3.578  -0.548  -4.393
  283   1HD1  LEU  42          1HD1      LEU  42   4.792  -2.406  -4.203
  284   2HD1  LEU  42          2HD1      LEU  42   5.797  -1.727  -2.922
  285   3HD1  LEU  42          3HD1      LEU  42   6.174  -1.389  -4.611
  286   1HD2  LEU  42          1HD2      LEU  42   4.930  -0.267  -1.765
  287   2HD2  LEU  42          2HD2      LEU  42   3.233  -0.558  -2.137
  288   3HD2  LEU  42          3HD2      LEU  42   3.916   1.059  -2.329
  289    H    VAL  43           H        VAL  43   7.766   0.408  -2.810
  290    HA   VAL  43           HA       VAL  43   9.738   1.577  -4.637
  291    HB   VAL  43           HB       VAL  43  10.476   1.159  -1.757
  292   1HG1  VAL  43          1HG1      VAL  43  12.292   1.273  -3.384
  293   2HG1  VAL  43          2HG1      VAL  43  12.305   2.686  -2.328
  294   3HG1  VAL  43          3HG1      VAL  43  11.680   2.820  -3.971
  295   1HG2  VAL  43          1HG2      VAL  43   9.078   2.843  -1.256
  296   2HG2  VAL  43          2HG2      VAL  43   8.937   3.362  -2.936
  297   3HG2  VAL  43          3HG2      VAL  43  10.332   3.854  -1.974
  298    H    HIS  44           H        HIS  44   8.819  -1.019  -2.444
  299    HA   HIS  44           HA       HIS  44  10.207  -2.916  -4.091
  300   1HB   HIS  44          2HB       HIS  44  11.095  -3.640  -1.518
  301   2HB   HIS  44          1HB       HIS  44  12.074  -3.104  -2.880
  302    HD1  HIS  44           1HD      HIS  44  12.759  -0.582  -2.923
  303    HD2  HIS  44           2HD      HIS  44  10.769  -1.791   0.515
  304    HE1  HIS  44           1HE      HIS  44  13.082   1.288  -1.272
  305    HE2  HIS  44           2HE      HIS  44  11.774   0.585   0.760
  306    H    LYS  45           H        LYS  45   8.906  -4.593  -4.288
  307    HA   LYS  45           HA       LYS  45   6.583  -4.895  -2.692
  308   1HB   LYS  45          2HB       LYS  45   7.855  -6.620  -4.807
  309   2HB   LYS  45          1HB       LYS  45   6.366  -7.077  -3.993
  310   1HG   LYS  45          2HG       LYS  45   5.767  -4.554  -4.773
  311   2HG   LYS  45          1HG       LYS  45   6.843  -5.067  -6.074
  312   1HD   LYS  45          2HD       LYS  45   4.783  -7.015  -5.245
  313   2HD   LYS  45          1HD       LYS  45   4.196  -5.557  -6.047
  314   1HE   LYS  45          2HE       LYS  45   4.963  -6.222  -8.037
  315   2HE   LYS  45          1HE       LYS  45   6.519  -6.708  -7.365
  316   1HZ   LYS  45          1HZ       LYS  45   4.200  -8.405  -6.811
  317   2HZ   LYS  45          2HZ       LYS  45   5.820  -8.833  -7.043
  318   3HZ   LYS  45          3HZ       LYS  45   4.849  -8.449  -8.374
  319    H    GLY  46           H        GLY  46   7.947  -4.945  -0.637
  320   1HA   GLY  46          2HA       GLY  46   7.718  -7.436   0.581
  321   2HA   GLY  46          1HA       GLY  46   9.396  -7.256   0.083
  322    H    ARG  47           H        ARG  47   9.635  -7.409   2.515
  323    HA   ARG  47           HA       ARG  47   8.881  -5.044   3.985
  324   1HB   ARG  47          2HB       ARG  47  10.860  -7.052   5.006
  325   2HB   ARG  47          1HB       ARG  47   9.671  -6.115   5.900
  326   1HG   ARG  47          2HG       ARG  47   7.892  -7.499   5.148
  327   2HG   ARG  47          1HG       ARG  47   8.943  -8.321   3.991
  328   1HD   ARG  47          2HD       ARG  47   8.416  -9.538   6.177
  329   2HD   ARG  47          1HD       ARG  47  10.099  -9.459   5.670
  330    HE   ARG  47           HE       ARG  47  10.519  -7.879   7.372
  331   1HH1  ARG  47          1HH1      ARG  47   7.238  -9.093   7.460
  332   2HH1  ARG  47          2HH1      ARG  47   6.967  -8.574   9.088
  333   1HH2  ARG  47          1HH2      ARG  47  10.148  -7.199   9.505
  334   2HH2  ARG  47          2HH2      ARG  47   8.612  -7.502  10.247
  335    H    CYS  48           H        CYS  48  10.143  -3.968   2.054
  336    HA   CYS  48           HA       CYS  48  12.004  -2.862   1.295
  337   1HB   CYS  48          2HB       CYS  48  11.757  -2.316   4.220
  338   2HB   CYS  48          1HB       CYS  48  13.041  -1.549   3.291
  Start of MODEL   13
    1   1H    LYS   1          1HT       LYS   1 -18.210   4.486  -3.546
    2   2H    LYS   1          2HT       LYS   1 -17.749   3.009  -4.290
    3   3H    LYS   1          3HT       LYS   1 -17.210   4.504  -4.938
    4    HA   LYS   1           HA       LYS   1 -16.137   4.882  -2.720
    5   1HB   LYS   1          2HB       LYS   1 -16.862   1.960  -2.630
    6   2HB   LYS   1          1HB       LYS   1 -15.523   2.609  -1.693
    7   1HG   LYS   1          2HG       LYS   1 -18.438   3.300  -1.459
    8   2HG   LYS   1          1HG       LYS   1 -17.411   2.508  -0.264
    9   1HD   LYS   1          2HD       LYS   1 -16.047   4.817  -0.668
   10   2HD   LYS   1          1HD       LYS   1 -17.707   5.361  -0.915
   11   1HE   LYS   1          2HE       LYS   1 -18.326   4.901   1.247
   12   2HE   LYS   1          1HE       LYS   1 -17.102   3.648   1.443
   13   1HZ   LYS   1          1HZ       LYS   1 -15.501   5.158   1.974
   14   2HZ   LYS   1          2HZ       LYS   1 -16.850   5.974   2.585
   15   3HZ   LYS   1          3HZ       LYS   1 -16.206   6.414   1.084
   16    HA   PRO   2           HA       PRO   2 -13.271   4.165  -6.240
   17   1HB   PRO   2          2HB       PRO   2 -11.776   6.073  -4.507
   18   2HB   PRO   2          1HB       PRO   2 -12.025   6.102  -6.256
   19   1HG   PRO   2          2HG       PRO   2 -13.380   7.754  -4.672
   20   2HG   PRO   2          1HG       PRO   2 -14.160   6.994  -6.071
   21   1HD   PRO   2          2HD       PRO   2 -14.415   6.341  -3.170
   22   2HD   PRO   2          1HD       PRO   2 -15.642   6.287  -4.453
   23    H    ASP   3           H        ASP   3 -10.597   4.251  -5.758
   24    HA   ASP   3           HA       ASP   3 -10.181   1.799  -4.314
   25   1HB   ASP   3          2HB       ASP   3  -7.932   3.491  -5.347
   26   2HB   ASP   3          1HB       ASP   3  -8.071   1.737  -5.290
   27    H    ALA   4           H        ALA   4 -10.122   1.841  -2.163
   28    HA   ALA   4           HA       ALA   4  -8.128   3.393  -0.819
   29   1HB   ALA   4          1HB       ALA   4  -9.505   5.155  -0.514
   30   2HB   ALA   4          2HB       ALA   4 -10.105   4.164   0.816
   31   3HB   ALA   4          3HB       ALA   4 -10.967   4.191  -0.723
   32    HA   PRO   5           HA       PRO   5 -10.799   0.654   2.491
   33   1HB   PRO   5          2HB       PRO   5 -11.680  -1.036   0.177
   34   2HB   PRO   5          1HB       PRO   5 -12.461  -0.786   1.742
   35   1HG   PRO   5          2HG       PRO   5 -13.194   0.526  -0.545
   36   2HG   PRO   5          1HG       PRO   5 -13.446   1.165   1.085
   37   1HD   PRO   5          2HD       PRO   5 -11.685   2.153  -0.985
   38   2HD   PRO   5          1HD       PRO   5 -12.014   2.852   0.611
   39    H    CYS   6           H        CYS   6  -9.610  -0.979   3.392
   40    HA   CYS   6           HA       CYS   6  -7.388  -1.959   1.776
   41   1HB   CYS   6          2HB       CYS   6  -6.992  -2.854   4.394
   42   2HB   CYS   6          1HB       CYS   6  -6.199  -1.500   3.603
   43    H    ILE   7           H        ILE   7  -9.438  -3.210   0.875
   44    HA   ILE   7           HA       ILE   7  -9.049  -5.937   1.796
   45    HB   ILE   7           HB       ILE   7 -11.730  -4.592   1.658
   46   1HG1  ILE   7          2HG1      ILE   7 -10.532  -4.481   3.810
   47   2HG1  ILE   7          1HG1      ILE   7 -11.987  -5.465   3.929
   48   1HG2  ILE   7          1HG2      ILE   7 -10.987  -7.477   1.405
   49   2HG2  ILE   7          2HG2      ILE   7 -12.213  -6.556   0.533
   50   3HG2  ILE   7          3HG2      ILE   7 -12.495  -7.037   2.207
   51   1HD1  ILE   7          1HD1      ILE   7 -10.223  -6.535   5.130
   52   2HD1  ILE   7          2HD1      ILE   7  -9.150  -6.439   3.733
   53   3HD1  ILE   7          3HD1      ILE   7 -10.571  -7.483   3.684
   54    H    CYS   8           H        CYS   8  -7.949  -6.182  -0.167
   55    HA   CYS   8           HA       CYS   8  -9.615  -6.063  -2.591
   56   1HB   CYS   8          2HB       CYS   8  -6.864  -5.324  -2.029
   57   2HB   CYS   8          1HB       CYS   8  -6.975  -6.454  -3.370
   58    H    THR   9           H        THR   9  -7.328  -7.947  -0.746
   59    HA   THR   9           HA       THR   9  -8.498 -10.434  -1.401
   60    HB   THR   9           HB       THR   9  -7.420 -10.119  -3.549
   61    HG1  THR   9           1HG      THR   9  -7.308 -12.217  -2.780
   62   1HG2  THR   9          1HG2      THR   9  -5.591  -8.896  -3.716
   63   2HG2  THR   9          2HG2      THR   9  -4.701 -10.274  -3.074
   64   3HG2  THR   9          3HG2      THR   9  -5.279  -9.013  -1.986
   65    H    MET  10           H        MET  10  -6.308 -12.071  -1.108
   66    HA   MET  10           HA       MET  10  -5.143 -11.259   1.463
   67   1HB   MET  10          2HB       MET  10  -6.793 -13.597   0.848
   68   2HB   MET  10          1HB       MET  10  -5.255 -14.023   1.587
   69   1HG   MET  10          2HG       MET  10  -5.728 -12.562   3.465
   70   2HG   MET  10          1HG       MET  10  -7.245 -12.067   2.716
   71   1HE   MET  10          1HE       MET  10  -9.661 -13.588   3.728
   72   2HE   MET  10          2HE       MET  10  -8.585 -12.376   4.425
   73   3HE   MET  10          3HE       MET  10  -8.976 -13.837   5.334
   74    H    GLN  11           H        GLN  11  -4.347 -11.368  -1.466
   75    HA   GLN  11           HA       GLN  11  -2.316 -13.338  -1.718
   76   1HB   GLN  11          2HB       GLN  11  -3.569 -11.683  -3.464
   77   2HB   GLN  11          1HB       GLN  11  -2.037 -10.842  -3.273
   78   1HG   GLN  11          2HG       GLN  11  -0.931 -12.351  -4.479
   79   2HG   GLN  11          1HG       GLN  11  -1.736 -13.708  -3.693
   80   1HE2  GLN  11          1HE2      GLN  11  -3.213 -11.039  -5.450
   81   2HE2  GLN  11          2HE2      GLN  11  -3.897 -12.005  -6.708
   82    H    TYR  12           H        TYR  12  -1.713 -12.623   0.623
   83    HA   TYR  12           HA       TYR  12  -0.429 -10.600   1.620
   84   1HB   TYR  12          2HB       TYR  12  -0.223 -13.323   2.039
   85   2HB   TYR  12          1HB       TYR  12   1.441 -12.835   1.738
   86    HD1  TYR  12           1HD      TYR  12   0.464 -13.942   4.339
   87    HD2  TYR  12           2HD      TYR  12   0.712  -9.934   2.934
   88    HE1  TYR  12           1HE      TYR  12   0.643 -13.146   6.658
   89    HE2  TYR  12           2HE      TYR  12   0.892  -9.128   5.249
   90    HH   TYR  12           HH       TYR  12   0.066 -10.192   7.638
   91    H    ASP  13           H        ASP  13   0.246  -9.159  -0.025
   92    HA   ASP  13           HA       ASP  13   2.919  -9.775  -1.099
   93   1HB   ASP  13          2HB       ASP  13   0.779  -9.388  -2.678
   94   2HB   ASP  13          1HB       ASP  13   1.235  -7.706  -2.425
   95    HA   PRO  14           HA       PRO  14   2.813  -6.252   2.051
   96   1HB   PRO  14          2HB       PRO  14   5.260  -7.084   3.079
   97   2HB   PRO  14          1HB       PRO  14   3.674  -7.418   3.777
   98   1HG   PRO  14          2HG       PRO  14   5.381  -9.142   2.037
   99   2HG   PRO  14          1HG       PRO  14   4.360  -9.597   3.414
  100   1HD   PRO  14          2HD       PRO  14   3.567 -10.052   0.901
  101   2HD   PRO  14          1HD       PRO  14   2.407  -9.533   2.145
  102    H    VAL  15           H        VAL  15   3.113  -4.862   0.306
  103    HA   VAL  15           HA       VAL  15   5.771  -4.608  -0.846
  104    HB   VAL  15           HB       VAL  15   4.735  -3.040  -2.371
  105   1HG1  VAL  15          1HG1      VAL  15   4.143  -4.824  -3.552
  106   2HG1  VAL  15          2HG1      VAL  15   2.587  -4.832  -2.721
  107   3HG1  VAL  15          3HG1      VAL  15   3.939  -5.760  -2.071
  108   1HG2  VAL  15          1HG2      VAL  15   2.272  -2.621  -2.231
  109   2HG2  VAL  15          2HG2      VAL  15   3.219  -1.879  -0.941
  110   3HG2  VAL  15          3HG2      VAL  15   2.305  -3.353  -0.627
  111    H    CYS  16           H        CYS  16   7.179  -3.281  -0.130
  112    HA   CYS  16           HA       CYS  16   6.585  -1.442   1.976
  113   1HB   CYS  16          2HB       CYS  16   8.845  -2.811   1.025
  114   2HB   CYS  16          1HB       CYS  16   9.191  -1.104   0.871
  115    H    GLY  17           H        GLY  17   5.786   0.500   1.661
  116   1HA   GLY  17          2HA       GLY  17   6.256   1.764  -0.936
  117   2HA   GLY  17          1HA       GLY  17   4.904   2.112   0.115
  118    H    SER  18           H        SER  18   7.018   3.718  -1.192
  119    HA   SER  18           HA       SER  18   8.901   4.754   0.482
  120   1HB   SER  18          2HB       SER  18   8.884   5.511  -1.773
  121   2HB   SER  18          1HB       SER  18   7.226   6.092  -1.642
  122    HG   SER  18           HG       SER  18   8.791   7.272   0.207
  123    H    ASP  19           H        ASP  19   8.360   4.871   2.499
  124    HA   ASP  19           HA       ASP  19   7.386   7.163   3.658
  125   1HB   ASP  19          2HB       ASP  19   5.207   6.051   2.598
  126   2HB   ASP  19          1HB       ASP  19   5.270   5.089   4.070
  127    H    GLY  20           H        GLY  20   7.888   3.745   3.707
  128   1HA   GLY  20          2HA       GLY  20   9.438   2.795   5.270
  129   2HA   GLY  20          1HA       GLY  20   8.851   3.938   6.474
  130    H    ILE  21           H        ILE  21   6.723   2.164   4.294
  131    HA   ILE  21           HA       ILE  21   5.973   0.451   6.575
  132    HB   ILE  21           HB       ILE  21   4.069   2.075   4.902
  133   1HG1  ILE  21          2HG1      ILE  21   5.293   3.089   6.919
  134   2HG1  ILE  21          1HG1      ILE  21   3.537   3.225   6.891
  135   1HG2  ILE  21          1HG2      ILE  21   2.845   0.154   5.102
  136   2HG2  ILE  21          2HG2      ILE  21   2.423   0.941   6.622
  137   3HG2  ILE  21          3HG2      ILE  21   3.643  -0.331   6.597
  138   1HD1  ILE  21          1HD1      ILE  21   3.282   1.926   8.703
  139   2HD1  ILE  21          2HD1      ILE  21   4.954   2.396   9.017
  140   3HD1  ILE  21          3HD1      ILE  21   4.602   0.847   8.250
  141    H    THR  22           H        THR  22   5.330  -1.575   6.138
  142    HA   THR  22           HA       THR  22   5.512  -2.459   3.347
  143    HB   THR  22           HB       THR  22   5.410  -4.229   5.788
  144    HG1  THR  22           1HG      THR  22   7.592  -4.121   5.907
  145   1HG2  THR  22          1HG2      THR  22   6.520  -5.851   4.423
  146   2HG2  THR  22          2HG2      THR  22   6.652  -4.700   3.094
  147   3HG2  THR  22          3HG2      THR  22   5.070  -5.294   3.588
  148    H    TYR  23           H        TYR  23   3.547  -2.129   2.485
  149    HA   TYR  23           HA       TYR  23   1.128  -2.672   3.937
  150   1HB   TYR  23          2HB       TYR  23   1.472  -1.977   1.024
  151   2HB   TYR  23          1HB       TYR  23   0.026  -1.767   2.011
  152    HD1  TYR  23           1HD      TYR  23   0.096  -0.103   3.920
  153    HD2  TYR  23           2HD      TYR  23   3.158  -0.334   0.976
  154    HE1  TYR  23           1HE      TYR  23   0.893   2.131   4.574
  155    HE2  TYR  23           2HE      TYR  23   3.957   1.899   1.625
  156    HH   TYR  23           HH       TYR  23   2.192   3.901   3.884
  157    H    GLY  24           H        GLY  24   0.068  -4.507   4.018
  158   1HA   GLY  24          2HA       GLY  24   0.813  -6.958   3.190
  159   2HA   GLY  24          1HA       GLY  24  -0.878  -6.508   3.355
  160    H    ASN  25           H        ASN  25  -0.526  -4.495   1.199
  161    HA   ASN  25           HA       ASN  25   0.270  -5.723  -1.180
  162   1HB   ASN  25          2HB       ASN  25  -2.158  -5.989  -2.109
  163   2HB   ASN  25          1HB       ASN  25  -1.416  -7.293  -1.192
  164   1HD2  ASN  25          1HD2      ASN  25  -2.843  -8.230   0.067
  165   2HD2  ASN  25          2HD2      ASN  25  -4.075  -7.433   0.979
  166    H    ALA  26           H        ALA  26  -0.141  -4.475  -3.052
  167    HA   ALA  26           HA       ALA  26   0.042  -1.764  -2.790
  168   1HB   ALA  26          1HB       ALA  26  -0.407  -1.584  -5.135
  169   2HB   ALA  26          2HB       ALA  26  -1.254  -3.132  -5.142
  170   3HB   ALA  26          3HB       ALA  26   0.486  -3.081  -4.862
  171    H    CYS  27           H        CYS  27  -2.779  -3.722  -2.609
  172    HA   CYS  27           HA       CYS  27  -4.634  -1.546  -2.995
  173   1HB   CYS  27          2HB       CYS  27  -4.850  -4.452  -2.508
  174   2HB   CYS  27          1HB       CYS  27  -6.146  -3.472  -1.829
  175    H    MET  28           H        MET  28  -3.570  -3.555  -0.257
  176    HA   MET  28           HA       MET  28  -4.877  -2.307   1.839
  177   1HB   MET  28          2HB       MET  28  -2.159  -3.492   1.500
  178   2HB   MET  28          1HB       MET  28  -2.489  -2.602   2.974
  179   1HG   MET  28          2HG       MET  28  -4.659  -4.268   2.789
  180   2HG   MET  28          1HG       MET  28  -3.342  -5.268   2.180
  181   1HE   MET  28          1HE       MET  28  -5.307  -5.394   4.712
  182   2HE   MET  28          2HE       MET  28  -4.994  -3.856   5.516
  183   3HE   MET  28          3HE       MET  28  -4.466  -5.363   6.262
  184    H    LEU  29           H        LEU  29  -2.128  -1.437  -0.062
  185    HA   LEU  29           HA       LEU  29  -1.229   0.875   1.179
  186   1HB   LEU  29          2HB       LEU  29  -0.843  -0.547  -1.233
  187   2HB   LEU  29          1HB       LEU  29  -1.154   1.110  -1.678
  188    HG   LEU  29           HG       LEU  29   1.150  -0.056  -0.207
  189   1HD1  LEU  29          1HD1      LEU  29   1.406   0.487  -2.540
  190   2HD1  LEU  29          2HD1      LEU  29   2.343   1.634  -1.582
  191   3HD1  LEU  29          3HD1      LEU  29   0.791   2.117  -2.266
  192   1HD2  LEU  29          1HD2      LEU  29   1.699   2.343   0.500
  193   2HD2  LEU  29          2HD2      LEU  29   0.510   1.468   1.459
  194   3HD2  LEU  29          3HD2      LEU  29  -0.019   2.663   0.284
  195    H    LEU  30           H        LEU  30  -3.503   0.427  -1.475
  196    HA   LEU  30           HA       LEU  30  -4.271   3.036  -1.872
  197   1HB   LEU  30          2HB       LEU  30  -5.657   0.404  -2.154
  198   2HB   LEU  30          1HB       LEU  30  -6.619   1.861  -2.287
  199    HG   LEU  30           HG       LEU  30  -4.168   1.360  -3.961
  200   1HD1  LEU  30          1HD1      LEU  30  -5.363  -0.264  -4.937
  201   2HD1  LEU  30          2HD1      LEU  30  -6.279   1.062  -5.655
  202   3HD1  LEU  30          3HD1      LEU  30  -6.874   0.267  -4.197
  203   1HD2  LEU  30          1HD2      LEU  30  -5.340   3.036  -5.438
  204   2HD2  LEU  30          2HD2      LEU  30  -4.721   3.665  -3.911
  205   3HD2  LEU  30          3HD2      LEU  30  -6.443   3.328  -4.091
  206    H    CYS  31           H        CYS  31  -5.035   0.824   0.722
  207    HA   CYS  31           HA       CYS  31  -7.064   2.557   1.850
  208   1HB   CYS  31          2HB       CYS  31  -7.142   0.114   2.252
  209   2HB   CYS  31          1HB       CYS  31  -5.610   0.213   3.113
  210    H    ALA  32           H        ALA  32  -3.642   2.021   2.126
  211    HA   ALA  32           HA       ALA  32  -3.177   3.464   4.509
  212   1HB   ALA  32          1HB       ALA  32  -0.877   3.408   3.930
  213   2HB   ALA  32          2HB       ALA  32  -1.246   3.176   2.221
  214   3HB   ALA  32          3HB       ALA  32  -1.571   1.884   3.378
  215    H    SER  33           H        SER  33  -2.741   4.381   1.093
  216    HA   SER  33           HA       SER  33  -2.295   7.131   1.658
  217   1HB   SER  33          2HB       SER  33  -2.377   5.439  -0.661
  218   2HB   SER  33          1HB       SER  33  -3.350   6.879  -0.963
  219    HG   SER  33           HG       SER  33  -1.601   8.138  -0.703
  220    H    ALA  34           H        ALA  34  -5.095   5.206   1.588
  221    HA   ALA  34           HA       ALA  34  -6.901   7.406   0.989
  222   1HB   ALA  34          1HB       ALA  34  -7.489   5.316   0.020
  223   2HB   ALA  34          2HB       ALA  34  -8.664   5.653   1.292
  224   3HB   ALA  34          3HB       ALA  34  -7.368   4.491   1.573
  225    H    ARG  35           H        ARG  35  -5.544   5.892   3.775
  226    HA   ARG  35           HA       ARG  35  -7.521   7.291   5.455
  227   1HB   ARG  35          2HB       ARG  35  -7.141   5.598   7.183
  228   2HB   ARG  35          1HB       ARG  35  -7.733   4.878   5.692
  229   1HG   ARG  35          2HG       ARG  35  -6.065   3.422   5.955
  230   2HG   ARG  35          1HG       ARG  35  -5.028   4.723   5.363
  231   1HD   ARG  35          2HD       ARG  35  -4.322   3.577   7.517
  232   2HD   ARG  35          1HD       ARG  35  -4.373   5.339   7.522
  233    HE   ARG  35           HE       ARG  35  -5.979   5.231   9.137
  234   1HH1  ARG  35          1HH1      ARG  35  -5.850   2.162   7.496
  235   2HH1  ARG  35          2HH1      ARG  35  -6.981   1.398   8.562
  236   1HH2  ARG  35          1HH2      ARG  35  -7.464   4.233  10.551
  237   2HH2  ARG  35          2HH2      ARG  35  -7.897   2.574  10.300
  238    H    SER  36           H        SER  36  -4.474   7.612   4.397
  239    HA   SER  36           HA       SER  36  -3.424   8.488   6.987
  240   1HB   SER  36          2HB       SER  36  -2.116   6.828   5.621
  241   2HB   SER  36          1HB       SER  36  -1.890   8.086   4.411
  242    HG   SER  36           HG       SER  36  -1.183   9.223   6.612
  243    H    ASP  37           H        ASP  37  -1.675   9.892   4.519
  244    HA   ASP  37           HA       ASP  37  -3.217  12.051   3.689
  245   1HB   ASP  37          2HB       ASP  37  -2.022  12.329   6.386
  246   2HB   ASP  37          1HB       ASP  37  -1.824  13.706   5.304
  247    H    THR  38           H        THR  38  -1.121  10.272   2.809
  248    HA   THR  38           HA       THR  38   0.534  12.196   1.474
  249    HB   THR  38           HB       THR  38   1.612  11.667   3.780
  250    HG1  THR  38           1HG      THR  38   3.572  12.016   2.871
  251   1HG2  THR  38          1HG2      THR  38   1.456   9.256   3.732
  252   2HG2  THR  38          2HG2      THR  38   3.145   9.764   3.746
  253   3HG2  THR  38          3HG2      THR  38   2.406   9.204   2.246
  254    HA   PRO  39           HA       PRO  39  -0.076   8.937  -1.490
  255   1HB   PRO  39          2HB       PRO  39   1.435  10.016  -3.478
  256   2HB   PRO  39          1HB       PRO  39  -0.191  10.585  -3.085
  257   1HG   PRO  39          2HG       PRO  39   2.459  11.723  -2.276
  258   2HG   PRO  39          1HG       PRO  39   1.007  12.568  -2.849
  259   1HD   PRO  39          2HD       PRO  39   1.651  12.435  -0.231
  260   2HD   PRO  39          1HD       PRO  39  -0.036  12.436  -0.790
  261    H    ILE  40           H        ILE  40   1.124   7.348  -0.274
  262    HA   ILE  40           HA       ILE  40   3.874   7.134  -0.075
  263    HB   ILE  40           HB       ILE  40   3.469   4.649  -0.005
  264   1HG1  ILE  40          2HG1      ILE  40   1.206   5.299  -1.448
  265   2HG1  ILE  40          1HG1      ILE  40   1.526   3.746  -0.691
  266   1HG2  ILE  40          1HG2      ILE  40   2.041   6.608   1.739
  267   2HG2  ILE  40          2HG2      ILE  40   3.475   5.641   2.079
  268   3HG2  ILE  40          3HG2      ILE  40   1.887   4.878   2.042
  269   1HD1  ILE  40          1HD1      ILE  40   0.290   4.441   1.282
  270   2HD1  ILE  40          2HD1      ILE  40  -0.701   4.570  -0.171
  271   3HD1  ILE  40          3HD1      ILE  40  -0.002   6.019   0.551
  272    H    GLU  41           H        GLU  41   5.413   5.861  -1.294
  273    HA   GLU  41           HA       GLU  41   4.605   5.351  -4.078
  274   1HB   GLU  41          2HB       GLU  41   6.798   7.134  -3.119
  275   2HB   GLU  41          1HB       GLU  41   7.032   6.234  -4.613
  276   1HG   GLU  41          2HG       GLU  41   5.305   7.333  -5.695
  277   2HG   GLU  41          1HG       GLU  41   4.557   7.850  -4.186
  278    H    LEU  42           H        LEU  42   4.659   3.180  -3.940
  279    HA   LEU  42           HA       LEU  42   6.058   1.400  -2.600
  280   1HB   LEU  42          2HB       LEU  42   5.008   1.435  -5.273
  281   2HB   LEU  42          1HB       LEU  42   6.422   0.418  -5.172
  282    HG   LEU  42           HG       LEU  42   3.968  -0.508  -4.724
  283   1HD1  LEU  42          1HD1      LEU  42   5.024  -2.399  -4.148
  284   2HD1  LEU  42          2HD1      LEU  42   5.917  -1.624  -2.837
  285   3HD1  LEU  42          3HD1      LEU  42   6.480  -1.468  -4.502
  286   1HD2  LEU  42          1HD2      LEU  42   4.842  -0.070  -1.907
  287   2HD2  LEU  42          2HD2      LEU  42   3.240  -0.442  -2.544
  288   3HD2  LEU  42          3HD2      LEU  42   3.908   1.180  -2.728
  289    H    VAL  43           H        VAL  43   8.009   0.348  -2.587
  290    HA   VAL  43           HA       VAL  43  10.172   1.527  -4.171
  291    HB   VAL  43           HB       VAL  43  11.479   1.069  -1.869
  292   1HG1  VAL  43          1HG1      VAL  43  11.864   3.071  -2.984
  293   2HG1  VAL  43          2HG1      VAL  43  11.141   3.589  -1.462
  294   3HG1  VAL  43          3HG1      VAL  43  10.163   3.535  -2.929
  295   1HG2  VAL  43          1HG2      VAL  43  10.186   2.005  -0.012
  296   2HG2  VAL  43          2HG2      VAL  43   9.469   0.516  -0.624
  297   3HG2  VAL  43          3HG2      VAL  43   8.762   2.075  -1.050
  298    H    HIS  44           H        HIS  44   9.165  -1.085  -2.007
  299    HA   HIS  44           HA       HIS  44  10.505  -3.000  -3.706
  300   1HB   HIS  44          2HB       HIS  44  11.194  -3.863  -1.114
  301   2HB   HIS  44          1HB       HIS  44  12.281  -3.341  -2.397
  302    HD1  HIS  44           1HD      HIS  44  13.179  -0.909  -2.271
  303    HD2  HIS  44           2HD      HIS  44  10.827  -2.052   0.958
  304    HE1  HIS  44           1HE      HIS  44  13.558   0.845  -0.514
  305    HE2  HIS  44           2HE      HIS  44  12.024   0.209   1.376
  306    H    LYS  45           H        LYS  45   9.108  -4.574  -4.060
  307    HA   LYS  45           HA       LYS  45   6.721  -4.859  -2.545
  308   1HB   LYS  45          2HB       LYS  45   6.414  -6.926  -3.994
  309   2HB   LYS  45          1HB       LYS  45   6.568  -5.393  -4.840
  310   1HG   LYS  45          2HG       LYS  45   8.743  -5.875  -5.556
  311   2HG   LYS  45          1HG       LYS  45   8.926  -7.191  -4.394
  312   1HD   LYS  45          2HD       LYS  45   6.702  -7.467  -6.313
  313   2HD   LYS  45          1HD       LYS  45   8.325  -7.555  -7.001
  314   1HE   LYS  45          2HE       LYS  45   8.323  -9.108  -4.638
  315   2HE   LYS  45          1HE       LYS  45   6.875  -9.540  -5.548
  316   1HZ   LYS  45          1HZ       LYS  45   9.310 -10.571  -5.988
  317   2HZ   LYS  45          2HZ       LYS  45   9.281  -9.328  -7.135
  318   3HZ   LYS  45          3HZ       LYS  45   8.077 -10.516  -7.145
  319    H    GLY  46           H        GLY  46   8.008  -5.104  -0.475
  320   1HA   GLY  46          2HA       GLY  46   7.703  -7.693   0.530
  321   2HA   GLY  46          1HA       GLY  46   9.407  -7.441   0.160
  322    H    ARG  47           H        ARG  47   9.570  -7.728   2.557
  323    HA   ARG  47           HA       ARG  47   8.648  -5.467   4.118
  324   1HB   ARG  47          2HB       ARG  47  10.489  -7.584   5.172
  325   2HB   ARG  47          1HB       ARG  47   9.226  -6.691   6.013
  326   1HG   ARG  47          2HG       ARG  47   7.760  -8.294   5.608
  327   2HG   ARG  47          1HG       ARG  47   8.069  -8.192   3.876
  328   1HD   ARG  47          2HD       ARG  47   8.650 -10.376   4.319
  329   2HD   ARG  47          1HD       ARG  47  10.205  -9.559   4.448
  330    HE   ARG  47           HE       ARG  47   8.821  -9.763   6.951
  331   1HH1  ARG  47          1HH1      ARG  47  10.929 -11.394   4.714
  332   2HH1  ARG  47          2HH1      ARG  47  11.615 -12.434   5.917
  333   1HH2  ARG  47          1HH2      ARG  47   9.714 -11.132   8.545
  334   2HH2  ARG  47          2HH2      ARG  47  10.921 -12.289   8.092
  335    H    CYS  48           H        CYS  48  10.051  -4.303   2.388
  336    HA   CYS  48           HA       CYS  48  11.968  -3.170   1.836
  337   1HB   CYS  48          2HB       CYS  48  11.415  -2.754   4.732
  338   2HB   CYS  48          1HB       CYS  48  12.854  -2.021   4.034
  Start of MODEL   14
    1   1H    LYS   1          1HT       LYS   1  -7.820   7.904 -12.416
    2   2H    LYS   1          2HT       LYS   1  -9.041   8.035 -11.217
    3   3H    LYS   1          3HT       LYS   1  -9.114   6.781 -12.386
    4    HA   LYS   1           HA       LYS   1  -7.734   5.497 -11.308
    5   1HB   LYS   1          2HB       LYS   1  -5.735   6.531 -10.076
    6   2HB   LYS   1          1HB       LYS   1  -5.778   6.697 -11.827
    7   1HG   LYS   1          2HG       LYS   1  -5.937   8.929 -11.738
    8   2HG   LYS   1          1HG       LYS   1  -7.048   8.897 -10.368
    9   1HD   LYS   1          2HD       LYS   1  -5.391   9.124  -8.862
   10   2HD   LYS   1          1HD       LYS   1  -4.310   8.042  -9.743
   11   1HE   LYS   1          2HE       LYS   1  -4.747  10.495 -11.200
   12   2HE   LYS   1          1HE       LYS   1  -4.147  10.822  -9.575
   13   1HZ   LYS   1          1HZ       LYS   1  -2.645  10.096 -11.739
   14   2HZ   LYS   1          2HZ       LYS   1  -2.740   8.677 -10.824
   15   3HZ   LYS   1          3HZ       LYS   1  -2.137  10.094 -10.125
   16    HA   PRO   2           HA       PRO   2  -9.828   5.683  -7.392
   17   1HB   PRO   2          2HB       PRO   2  -8.958   3.355  -6.369
   18   2HB   PRO   2          1HB       PRO   2 -10.096   3.408  -7.722
   19   1HG   PRO   2          2HG       PRO   2  -7.124   3.003  -7.764
   20   2HG   PRO   2          1HG       PRO   2  -8.383   2.103  -8.633
   21   1HD   PRO   2          2HD       PRO   2  -6.922   4.068  -9.799
   22   2HD   PRO   2          1HD       PRO   2  -8.606   3.731 -10.252
   23    H    ASP   3           H        ASP   3  -9.258   5.388  -5.014
   24    HA   ASP   3           HA       ASP   3  -6.641   5.439  -4.059
   25   1HB   ASP   3          2HB       ASP   3  -6.670   7.975  -3.436
   26   2HB   ASP   3          1HB       ASP   3  -6.124   7.480  -5.035
   27    H    ALA   4           H        ALA   4  -8.469   4.086  -2.915
   28    HA   ALA   4           HA       ALA   4  -8.760   5.161  -0.326
   29   1HB   ALA   4          1HB       ALA   4 -10.924   5.647  -2.195
   30   2HB   ALA   4          2HB       ALA   4 -10.623   6.343  -0.603
   31   3HB   ALA   4          3HB       ALA   4 -11.454   4.793  -0.745
   32    HA   PRO   5           HA       PRO   5 -11.111   0.882  -0.560
   33   1HB   PRO   5          2HB       PRO   5 -10.563   0.134  -3.377
   34   2HB   PRO   5          1HB       PRO   5 -12.035  -0.075  -2.424
   35   1HG   PRO   5          2HG       PRO   5 -11.882   1.782  -4.341
   36   2HG   PRO   5          1HG       PRO   5 -12.768   2.081  -2.833
   37   1HD   PRO   5          2HD       PRO   5 -10.067   3.051  -3.674
   38   2HD   PRO   5          1HD       PRO   5 -11.340   3.893  -2.769
   39    H    CYS   6           H        CYS   6 -10.217  -1.443  -0.997
   40    HA   CYS   6           HA       CYS   6  -7.494  -1.714  -1.736
   41   1HB   CYS   6          2HB       CYS   6  -6.570  -2.194   0.506
   42   2HB   CYS   6          1HB       CYS   6  -7.077  -0.516   0.335
   43    H    ILE   7           H        ILE   7  -8.931  -3.345  -2.837
   44    HA   ILE   7           HA       ILE   7  -8.846  -5.811  -1.264
   45    HB   ILE   7           HB       ILE   7 -11.194  -4.941  -2.932
   46   1HG1  ILE   7          2HG1      ILE   7 -11.216  -5.686  -0.015
   47   2HG1  ILE   7          1HG1      ILE   7 -10.865  -4.039  -0.530
   48   1HG2  ILE   7          1HG2      ILE   7 -12.106  -7.160  -1.915
   49   2HG2  ILE   7          2HG2      ILE   7 -10.399  -7.564  -1.734
   50   3HG2  ILE   7          3HG2      ILE   7 -11.060  -7.220  -3.332
   51   1HD1  ILE   7          1HD1      ILE   7 -13.003  -3.619  -1.090
   52   2HD1  ILE   7          2HD1      ILE   7 -13.319  -4.913   0.067
   53   3HD1  ILE   7          3HD1      ILE   7 -13.293  -5.262  -1.662
   54    H    CYS   8           H        CYS   8  -6.852  -5.814  -2.673
   55    HA   CYS   8           HA       CYS   8  -7.308  -6.453  -5.464
   56   1HB   CYS   8          2HB       CYS   8  -4.895  -6.071  -3.726
   57   2HB   CYS   8          1HB       CYS   8  -4.730  -6.899  -5.268
   58    H    THR   9           H        THR   9  -6.111  -8.014  -2.549
   59    HA   THR   9           HA       THR   9  -7.227 -10.527  -3.163
   60    HB   THR   9           HB       THR   9  -5.481 -10.723  -4.791
   61    HG1  THR   9           1HG      THR   9  -5.148 -12.669  -4.133
   62   1HG2  THR   9          1HG2      THR   9  -3.376 -10.017  -4.620
   63   2HG2  THR   9          2HG2      THR   9  -3.208 -10.611  -2.968
   64   3HG2  THR   9          3HG2      THR   9  -3.981  -9.055  -3.272
   65    H    MET  10           H        MET  10  -6.568 -12.195  -1.584
   66    HA   MET  10           HA       MET  10  -5.897 -10.937   0.975
   67   1HB   MET  10          2HB       MET  10  -7.424 -13.366   0.159
   68   2HB   MET  10          1HB       MET  10  -6.561 -13.438   1.689
   69   1HG   MET  10          2HG       MET  10  -8.715 -12.735   2.242
   70   2HG   MET  10          1HG       MET  10  -7.736 -11.270   2.283
   71   1HE   MET  10          1HE       MET  10 -10.797 -11.327   2.292
   72   2HE   MET  10          2HE       MET  10 -11.105 -12.619   1.133
   73   3HE   MET  10          3HE       MET  10 -11.616 -10.971   0.771
   74    H    GLN  11           H        GLN  11  -4.071 -11.654  -1.275
   75    HA   GLN  11           HA       GLN  11  -2.420 -13.778  -0.179
   76   1HB   GLN  11          2HB       GLN  11  -2.852 -12.618  -2.751
   77   2HB   GLN  11          1HB       GLN  11  -1.150 -12.450  -2.347
   78   1HG   GLN  11          2HG       GLN  11  -1.655 -14.511  -3.594
   79   2HG   GLN  11          1HG       GLN  11  -0.935 -14.817  -2.014
   80   1HE2  GLN  11          1HE2      GLN  11  -3.255 -15.808  -4.086
   81   2HE2  GLN  11          2HE2      GLN  11  -4.349 -16.555  -2.976
   82    H    TYR  12           H        TYR  12  -2.269 -12.234   1.760
   83    HA   TYR  12           HA       TYR  12  -1.133  -9.973   2.249
   84   1HB   TYR  12          2HB       TYR  12  -1.326 -11.971   3.847
   85   2HB   TYR  12          1HB       TYR  12   0.329 -12.348   3.379
   86    HD1  TYR  12           1HD      TYR  12  -1.509  -9.211   4.273
   87    HD2  TYR  12           2HD      TYR  12   1.857 -11.718   4.979
   88    HE1  TYR  12           1HE      TYR  12  -0.675  -7.610   5.941
   89    HE2  TYR  12           2HE      TYR  12   2.699 -10.122   6.652
   90    HH   TYR  12           HH       TYR  12   1.516  -6.988   6.962
   91    H    ASP  13           H        ASP  13  -0.108  -9.167   0.372
   92    HA   ASP  13           HA       ASP  13   2.671 -10.061  -0.006
   93   1HB   ASP  13          2HB       ASP  13   0.604  -9.454  -1.885
   94   2HB   ASP  13          1HB       ASP  13   1.852  -8.222  -2.039
   95    HA   PRO  14           HA       PRO  14   2.586  -6.085   2.425
   96   1HB   PRO  14          2HB       PRO  14   4.967  -6.744   3.674
   97   2HB   PRO  14          1HB       PRO  14   3.350  -7.031   4.324
   98   1HG   PRO  14          2HG       PRO  14   5.168  -8.909   2.869
   99   2HG   PRO  14          1HG       PRO  14   4.129  -9.216   4.275
  100   1HD   PRO  14          2HD       PRO  14   3.392 -10.006   1.837
  101   2HD   PRO  14          1HD       PRO  14   2.198  -9.342   2.974
  102    H    VAL  15           H        VAL  15   2.989  -4.827   0.626
  103    HA   VAL  15           HA       VAL  15   5.699  -4.755  -0.459
  104    HB   VAL  15           HB       VAL  15   4.812  -3.542  -2.269
  105   1HG1  VAL  15          1HG1      VAL  15   3.817  -5.313  -3.162
  106   2HG1  VAL  15          2HG1      VAL  15   2.379  -5.054  -2.174
  107   3HG1  VAL  15          3HG1      VAL  15   3.720  -6.011  -1.545
  108   1HG2  VAL  15          1HG2      VAL  15   3.497  -1.929  -0.989
  109   2HG2  VAL  15          2HG2      VAL  15   2.275  -3.167  -0.691
  110   3HG2  VAL  15          3HG2      VAL  15   2.567  -2.592  -2.333
  111    H    CYS  16           H        CYS  16   7.060  -3.255   0.003
  112    HA   CYS  16           HA       CYS  16   6.446  -1.268   1.963
  113   1HB   CYS  16          2HB       CYS  16   8.727  -2.629   1.064
  114   2HB   CYS  16          1HB       CYS  16   9.006  -0.934   0.743
  115    H    GLY  17           H        GLY  17   5.616   0.642   1.549
  116   1HA   GLY  17          2HA       GLY  17   5.943   1.706  -1.163
  117   2HA   GLY  17          1HA       GLY  17   4.609   2.088  -0.094
  118    H    SER  18           H        SER  18   6.599   3.668  -1.583
  119    HA   SER  18           HA       SER  18   8.528   4.896  -0.124
  120   1HB   SER  18          2HB       SER  18   8.434   5.642  -2.321
  121   2HB   SER  18          1HB       SER  18   6.685   5.869  -2.274
  122    HG   SER  18           HG       SER  18   8.266   7.777  -2.152
  123    H    ASP  19           H        ASP  19   8.134   5.117   1.938
  124    HA   ASP  19           HA       ASP  19   7.201   7.439   3.029
  125   1HB   ASP  19          2HB       ASP  19   4.993   6.004   2.168
  126   2HB   ASP  19          1HB       ASP  19   5.094   5.589   3.876
  127    H    GLY  20           H        GLY  20   7.705   4.033   3.234
  128   1HA   GLY  20          2HA       GLY  20   9.292   3.134   4.779
  129   2HA   GLY  20          1HA       GLY  20   8.807   4.373   5.931
  130    H    ILE  21           H        ILE  21   6.552   2.468   3.991
  131    HA   ILE  21           HA       ILE  21   5.858   0.982   6.443
  132    HB   ILE  21           HB       ILE  21   3.923   2.467   4.681
  133   1HG1  ILE  21          2HG1      ILE  21   5.063   3.833   6.378
  134   2HG1  ILE  21          1HG1      ILE  21   3.351   3.654   6.747
  135   1HG2  ILE  21          1HG2      ILE  21   2.650   0.632   5.112
  136   2HG2  ILE  21          2HG2      ILE  21   2.341   1.538   6.593
  137   3HG2  ILE  21          3HG2      ILE  21   3.527   0.234   6.589
  138   1HD1  ILE  21          1HD1      ILE  21   4.205   1.655   8.212
  139   2HD1  ILE  21          2HD1      ILE  21   4.268   3.315   8.805
  140   3HD1  ILE  21          3HD1      ILE  21   5.722   2.555   8.157
  141    H    THR  22           H        THR  22   5.232  -1.081   6.207
  142    HA   THR  22           HA       THR  22   5.369  -2.223   3.517
  143    HB   THR  22           HB       THR  22   5.167  -3.781   6.088
  144    HG1  THR  22           1HG      THR  22   6.966  -2.731   6.540
  145   1HG2  THR  22          1HG2      THR  22   6.784  -4.565   3.718
  146   2HG2  THR  22          2HG2      THR  22   5.038  -4.808   3.702
  147   3HG2  THR  22          3HG2      THR  22   6.024  -5.571   4.950
  148    H    TYR  23           H        TYR  23   3.423  -1.960   2.583
  149    HA   TYR  23           HA       TYR  23   0.968  -2.358   4.046
  150   1HB   TYR  23          2HB       TYR  23   1.380  -1.854   1.102
  151   2HB   TYR  23          1HB       TYR  23  -0.096  -1.601   2.029
  152    HD1  TYR  23           1HD      TYR  23  -0.062   0.142   3.882
  153    HD2  TYR  23           2HD      TYR  23   3.018  -0.181   0.966
  154    HE1  TYR  23           1HE      TYR  23   0.702   2.407   4.441
  155    HE2  TYR  23           2HE      TYR  23   3.786   2.085   1.517
  156    HH   TYR  23           HH       TYR  23   2.362   3.915   4.177
  157    H    GLY  24           H        GLY  24  -0.093  -4.188   4.233
  158   1HA   GLY  24          2HA       GLY  24   0.686  -6.672   3.530
  159   2HA   GLY  24          1HA       GLY  24  -1.008  -6.231   3.692
  160    H    ASN  25           H        ASN  25  -0.730  -4.321   1.435
  161    HA   ASN  25           HA       ASN  25  -0.019  -5.795  -0.890
  162   1HB   ASN  25          2HB       ASN  25  -2.941  -5.665  -0.160
  163   2HB   ASN  25          1HB       ASN  25  -2.386  -5.938  -1.807
  164   1HD2  ASN  25          1HD2      ASN  25  -3.768  -7.534   0.449
  165   2HD2  ASN  25          2HD2      ASN  25  -2.946  -9.048   0.408
  166    H    ALA  26           H        ALA  26  -0.244  -4.601  -2.834
  167    HA   ALA  26           HA       ALA  26   0.090  -1.866  -2.681
  168   1HB   ALA  26          1HB       ALA  26   0.564  -2.180  -4.832
  169   2HB   ALA  26          2HB       ALA  26  -1.148  -2.428  -5.179
  170   3HB   ALA  26          3HB       ALA  26  -0.127  -3.800  -4.752
  171    H    CYS  27           H        CYS  27  -2.787  -3.730  -2.589
  172    HA   CYS  27           HA       CYS  27  -4.586  -1.540  -3.142
  173   1HB   CYS  27          2HB       CYS  27  -4.820  -4.429  -2.735
  174   2HB   CYS  27          1HB       CYS  27  -6.101  -3.507  -1.953
  175    H    MET  28           H        MET  28  -3.679  -3.540  -0.353
  176    HA   MET  28           HA       MET  28  -5.106  -2.237   1.639
  177   1HB   MET  28          2HB       MET  28  -2.349  -3.439   1.585
  178   2HB   MET  28          1HB       MET  28  -2.998  -2.732   3.045
  179   1HG   MET  28          2HG       MET  28  -3.246  -5.261   2.665
  180   2HG   MET  28          1HG       MET  28  -4.597  -4.336   3.316
  181   1HE   MET  28          1HE       MET  28  -6.939  -6.471   1.380
  182   2HE   MET  28          2HE       MET  28  -7.053  -4.999   2.346
  183   3HE   MET  28          3HE       MET  28  -6.014  -6.322   2.874
  184    H    LEU  29           H        LEU  29  -2.269  -1.449  -0.147
  185    HA   LEU  29           HA       LEU  29  -1.352   0.838   1.137
  186   1HB   LEU  29          2HB       LEU  29  -0.906  -0.570  -1.268
  187   2HB   LEU  29          1HB       LEU  29  -1.211   1.092  -1.713
  188    HG   LEU  29           HG       LEU  29   1.010  -0.033  -0.063
  189   1HD1  LEU  29          1HD1      LEU  29   2.382   1.147  -1.568
  190   2HD1  LEU  29          2HD1      LEU  29   1.043   2.152  -2.125
  191   3HD1  LEU  29          3HD1      LEU  29   1.110   0.446  -2.568
  192   1HD2  LEU  29          1HD2      LEU  29   1.506   2.462   0.406
  193   2HD2  LEU  29          2HD2      LEU  29   0.318   1.635   1.410
  194   3HD2  LEU  29          3HD2      LEU  29  -0.215   2.689   0.110
  195    H    LEU  30           H        LEU  30  -3.560   0.428  -1.577
  196    HA   LEU  30           HA       LEU  30  -4.309   3.052  -1.939
  197   1HB   LEU  30          2HB       LEU  30  -5.658   0.424  -2.352
  198   2HB   LEU  30          1HB       LEU  30  -6.644   1.868  -2.457
  199    HG   LEU  30           HG       LEU  30  -4.170   1.349  -4.098
  200   1HD1  LEU  30          1HD1      LEU  30  -5.407   0.260  -5.584
  201   2HD1  LEU  30          2HD1      LEU  30  -6.651   1.511  -5.558
  202   3HD1  LEU  30          3HD1      LEU  30  -6.691   0.203  -4.376
  203   1HD2  LEU  30          1HD2      LEU  30  -5.033   3.759  -3.511
  204   2HD2  LEU  30          2HD2      LEU  30  -6.235   3.395  -4.749
  205   3HD2  LEU  30          3HD2      LEU  30  -4.518   3.357  -5.149
  206    H    CYS  31           H        CYS  31  -5.219   0.728   0.545
  207    HA   CYS  31           HA       CYS  31  -7.263   2.421   1.679
  208   1HB   CYS  31          2HB       CYS  31  -6.128  -0.207   2.215
  209   2HB   CYS  31          1HB       CYS  31  -6.351   0.714   3.699
  210    H    ALA  32           H        ALA  32  -3.845   1.962   1.987
  211    HA   ALA  32           HA       ALA  32  -3.432   3.411   4.379
  212   1HB   ALA  32          1HB       ALA  32  -1.832   2.032   2.476
  213   2HB   ALA  32          2HB       ALA  32  -1.394   2.571   4.096
  214   3HB   ALA  32          3HB       ALA  32  -1.155   3.642   2.716
  215    H    SER  33           H        SER  33  -2.745   4.305   1.004
  216    HA   SER  33           HA       SER  33  -2.177   6.955   1.320
  217   1HB   SER  33          2HB       SER  33  -3.262   5.310  -0.851
  218   2HB   SER  33          1HB       SER  33  -3.756   7.000  -0.949
  219    HG   SER  33           HG       SER  33  -1.585   7.595  -0.915
  220    H    ALA  34           H        ALA  34  -5.265   5.355   1.561
  221    HA   ALA  34           HA       ALA  34  -6.808   7.782   1.574
  222   1HB   ALA  34          1HB       ALA  34  -8.400   6.324   1.091
  223   2HB   ALA  34          2HB       ALA  34  -8.318   5.727   2.748
  224   3HB   ALA  34          3HB       ALA  34  -7.338   4.974   1.491
  225    H    ARG  35           H        ARG  35  -5.168   5.894   4.014
  226    HA   ARG  35           HA       ARG  35  -6.066   7.838   6.014
  227   1HB   ARG  35          2HB       ARG  35  -6.878   6.297   7.536
  228   2HB   ARG  35          1HB       ARG  35  -7.439   5.632   6.009
  229   1HG   ARG  35          2HG       ARG  35  -4.885   4.539   6.472
  230   2HG   ARG  35          1HG       ARG  35  -5.773   4.436   7.993
  231   1HD   ARG  35          2HD       ARG  35  -6.973   3.566   5.380
  232   2HD   ARG  35          1HD       ARG  35  -5.986   2.484   6.361
  233    HE   ARG  35           HE       ARG  35  -8.238   3.768   7.684
  234   1HH1  ARG  35          1HH1      ARG  35  -6.955   0.921   6.128
  235   2HH1  ARG  35          2HH1      ARG  35  -8.127  -0.143   6.830
  236   1HH2  ARG  35          1HH2      ARG  35  -9.782   2.371   8.607
  237   2HH2  ARG  35          2HH2      ARG  35  -9.734   0.680   8.236
  238    H    SER  36           H        SER  36  -3.520   7.629   4.736
  239    HA   SER  36           HA       SER  36  -1.829   6.607   6.907
  240   1HB   SER  36          2HB       SER  36  -1.522   5.765   4.519
  241   2HB   SER  36          1HB       SER  36  -0.882   7.360   4.144
  242    HG   SER  36           HG       SER  36   0.341   6.559   6.328
  243    H    ASP  37           H        ASP  37  -1.184   9.105   4.474
  244    HA   ASP  37           HA       ASP  37  -1.411  11.335   6.110
  245   1HB   ASP  37          2HB       ASP  37   0.527   9.994   7.236
  246   2HB   ASP  37          1HB       ASP  37   1.492  10.617   5.901
  247    H    THR  38           H        THR  38   0.794   9.928   3.712
  248    HA   THR  38           HA       THR  38   0.174  12.174   1.931
  249    HB   THR  38           HB       THR  38   2.801  11.563   1.318
  250    HG1  THR  38           1HG      THR  38   2.435  11.532   4.125
  251   1HG2  THR  38          1HG2      THR  38   3.271  13.732   1.787
  252   2HG2  THR  38          2HG2      THR  38   2.329  13.733   3.277
  253   3HG2  THR  38          3HG2      THR  38   1.511  13.822   1.717
  254    HA   PRO  39           HA       PRO  39  -0.228   9.277  -1.346
  255   1HB   PRO  39          2HB       PRO  39   1.271  10.341  -3.370
  256   2HB   PRO  39          1HB       PRO  39  -0.304  10.977  -2.883
  257   1HG   PRO  39          2HG       PRO  39   2.436  11.942  -2.158
  258   2HG   PRO  39          1HG       PRO  39   1.002  12.882  -2.613
  259   1HD   PRO  39          2HD       PRO  39   1.769  12.607  -0.046
  260   2HD   PRO  39          1HD       PRO  39   0.057  12.695  -0.510
  261    H    ILE  40           H        ILE  40   0.894   7.548  -0.284
  262    HA   ILE  40           HA       ILE  40   3.666   7.141  -0.355
  263    HB   ILE  40           HB       ILE  40   3.124   4.773   0.078
  264   1HG1  ILE  40          2HG1      ILE  40   0.705   5.504  -1.246
  265   2HG1  ILE  40          1HG1      ILE  40   1.210   3.910  -0.707
  266   1HG2  ILE  40          1HG2      ILE  40   1.842   5.167   2.177
  267   2HG2  ILE  40          2HG2      ILE  40   1.545   6.817   1.632
  268   3HG2  ILE  40          3HG2      ILE  40   3.192   6.277   1.948
  269   1HD1  ILE  40          1HD1      ILE  40   0.144   4.229   1.413
  270   2HD1  ILE  40          2HD1      ILE  40  -1.007   4.611   0.133
  271   3HD1  ILE  40          3HD1      ILE  40  -0.216   5.911   1.025
  272    H    GLU  41           H        GLU  41   4.928   5.708  -1.664
  273    HA   GLU  41           HA       GLU  41   3.740   4.933  -4.238
  274   1HB   GLU  41          2HB       GLU  41   5.837   6.967  -3.825
  275   2HB   GLU  41          1HB       GLU  41   6.168   5.795  -5.094
  276   1HG   GLU  41          2HG       GLU  41   3.916   6.341  -6.051
  277   2HG   GLU  41          1HG       GLU  41   3.821   7.661  -4.885
  278    H    LEU  42           H        LEU  42   3.966   2.776  -4.082
  279    HA   LEU  42           HA       LEU  42   5.512   1.118  -2.763
  280   1HB   LEU  42          2HB       LEU  42   4.311   0.995  -5.343
  281   2HB   LEU  42          1HB       LEU  42   5.834   0.144  -5.378
  282    HG   LEU  42           HG       LEU  42   3.948  -1.349  -4.885
  283   1HD1  LEU  42          1HD1      LEU  42   5.391  -2.579  -3.750
  284   2HD1  LEU  42          2HD1      LEU  42   5.145  -1.595  -2.308
  285   3HD1  LEU  42          3HD1      LEU  42   6.377  -1.143  -3.485
  286   1HD2  LEU  42          1HD2      LEU  42   3.026   0.734  -3.342
  287   2HD2  LEU  42          2HD2      LEU  42   3.558  -0.454  -2.152
  288   3HD2  LEU  42          3HD2      LEU  42   2.373  -0.903  -3.378
  289    H    VAL  43           H        VAL  43   7.525   0.149  -2.826
  290    HA   VAL  43           HA       VAL  43   9.542   1.315  -4.590
  291    HB   VAL  43           HB       VAL  43   9.621   2.675  -2.557
  292   1HG1  VAL  43          1HG1      VAL  43  10.600   1.471  -0.496
  293   2HG1  VAL  43          2HG1      VAL  43   9.932   0.015  -1.230
  294   3HG1  VAL  43          3HG1      VAL  43   8.869   1.357  -0.811
  295   1HG2  VAL  43          1HG2      VAL  43  12.055   2.236  -2.011
  296   2HG2  VAL  43          2HG2      VAL  43  11.664   2.503  -3.709
  297   3HG2  VAL  43          3HG2      VAL  43  11.951   0.867  -3.118
  298    H    HIS  44           H        HIS  44   8.739  -1.138  -2.184
  299    HA   HIS  44           HA       HIS  44  10.132  -3.121  -3.749
  300   1HB   HIS  44          2HB       HIS  44  10.939  -3.753  -1.127
  301   2HB   HIS  44          1HB       HIS  44  11.962  -3.298  -2.483
  302    HD1  HIS  44           1HD      HIS  44  12.684  -0.783  -2.617
  303    HD2  HIS  44           2HD      HIS  44  10.673  -1.861   0.854
  304    HE1  HIS  44           1HE      HIS  44  13.103   1.085  -0.995
  305    HE2  HIS  44           2HE      HIS  44  11.724   0.503   1.024
  306    H    LYS  45           H        LYS  45   8.779  -4.763  -3.929
  307    HA   LYS  45           HA       LYS  45   6.463  -4.995  -2.305
  308   1HB   LYS  45          2HB       LYS  45   5.993  -7.018  -3.598
  309   2HB   LYS  45          1HB       LYS  45   6.465  -5.688  -4.645
  310   1HG   LYS  45          2HG       LYS  45   8.783  -6.663  -4.660
  311   2HG   LYS  45          1HG       LYS  45   8.105  -8.076  -3.850
  312   1HD   LYS  45          2HD       LYS  45   6.437  -8.187  -5.765
  313   2HD   LYS  45          1HD       LYS  45   7.466  -7.016  -6.590
  314   1HE   LYS  45          2HE       LYS  45   8.892  -8.607  -7.201
  315   2HE   LYS  45          1HE       LYS  45   9.048  -9.176  -5.540
  316   1HZ   LYS  45          1HZ       LYS  45   6.668 -10.167  -6.168
  317   2HZ   LYS  45          2HZ       LYS  45   8.112 -11.012  -6.414
  318   3HZ   LYS  45          3HZ       LYS  45   7.386 -10.186  -7.700
  319    H    GLY  46           H        GLY  46   7.828  -5.020  -0.275
  320   1HA   GLY  46          2HA       GLY  46   7.630  -7.512   0.974
  321   2HA   GLY  46          1HA       GLY  46   9.311  -7.269   0.507
  322    H    ARG  47           H        ARG  47   9.431  -7.397   2.981
  323    HA   ARG  47           HA       ARG  47   8.593  -4.997   4.344
  324   1HB   ARG  47          2HB       ARG  47  10.390  -7.205   5.360
  325   2HB   ARG  47          1HB       ARG  47   9.567  -5.988   6.329
  326   1HG   ARG  47          2HG       ARG  47   7.423  -6.923   5.778
  327   2HG   ARG  47          1HG       ARG  47   8.170  -8.064   4.657
  328   1HD   ARG  47          2HD       ARG  47   7.521  -8.793   7.099
  329   2HD   ARG  47          1HD       ARG  47   8.995  -9.385   6.333
  330    HE   ARG  47           HE       ARG  47  10.249  -8.105   7.796
  331   1HH1  ARG  47          1HH1      ARG  47   6.863  -7.370   8.125
  332   2HH1  ARG  47          2HH1      ARG  47   7.067  -6.469   9.591
  333   1HH2  ARG  47          1HH2      ARG  47  10.534  -6.923   9.724
  334   2HH2  ARG  47          2HH2      ARG  47   9.156  -6.215  10.502
  335    H    CYS  48           H        CYS  48   9.962  -3.996   2.433
  336    HA   CYS  48           HA       CYS  48  11.845  -2.883   1.755
  337   1HB   CYS  48          2HB       CYS  48  11.378  -2.262   4.629
  338   2HB   CYS  48          1HB       CYS  48  12.794  -1.577   3.840
  Start of MODEL   15
    1   1H    LYS   1          1HT       LYS   1  -6.719   6.976 -12.912
    2   2H    LYS   1          2HT       LYS   1  -7.926   6.621 -11.745
    3   3H    LYS   1          3HT       LYS   1  -6.913   5.372 -12.343
    4    HA   LYS   1           HA       LYS   1  -5.241   5.886 -11.038
    5   1HB   LYS   1          2HB       LYS   1  -5.627   8.352 -12.246
    6   2HB   LYS   1          1HB       LYS   1  -5.750   8.717 -10.531
    7   1HG   LYS   1          2HG       LYS   1  -3.572   7.650 -10.162
    8   2HG   LYS   1          1HG       LYS   1  -3.446   7.339 -11.894
    9   1HD   LYS   1          2HD       LYS   1  -4.053  10.063 -11.649
   10   2HD   LYS   1          1HD       LYS   1  -2.835   9.732 -10.417
   11   1HE   LYS   1          2HE       LYS   1  -1.384  10.044 -12.105
   12   2HE   LYS   1          1HE       LYS   1  -1.805   8.384 -12.526
   13   1HZ   LYS   1          1HZ       LYS   1  -3.724  10.051 -13.665
   14   2HZ   LYS   1          2HZ       LYS   1  -2.552   9.125 -14.457
   15   3HZ   LYS   1          3HZ       LYS   1  -2.214  10.725 -14.024
   16    HA   PRO   2           HA       PRO   2  -8.555   5.811  -7.782
   17   1HB   PRO   2          2HB       PRO   2  -7.841   3.390  -6.777
   18   2HB   PRO   2          1HB       PRO   2  -8.954   3.577  -8.136
   19   1HG   PRO   2          2HG       PRO   2  -6.034   2.922  -8.155
   20   2HG   PRO   2          1HG       PRO   2  -7.347   2.214  -9.114
   21   1HD   PRO   2          2HD       PRO   2  -5.659   4.083 -10.109
   22   2HD   PRO   2          1HD       PRO   2  -7.356   3.962 -10.621
   23    H    ASP   3           H        ASP   3  -8.206   5.305  -5.370
   24    HA   ASP   3           HA       ASP   3  -5.677   5.268  -4.192
   25   1HB   ASP   3          2HB       ASP   3  -5.227   7.532  -3.628
   26   2HB   ASP   3          1HB       ASP   3  -5.564   7.524  -5.356
   27    H    ALA   4           H        ALA   4  -7.889   3.939  -3.522
   28    HA   ALA   4           HA       ALA   4  -8.348   4.785  -0.822
   29   1HB   ALA   4          1HB       ALA   4 -10.157   6.017  -1.271
   30   2HB   ALA   4          2HB       ALA   4 -10.969   4.467  -1.494
   31   3HB   ALA   4          3HB       ALA   4 -10.335   5.339  -2.890
   32    HA   PRO   5           HA       PRO   5 -10.688   0.578  -1.493
   33   1HB   PRO   5          2HB       PRO   5 -10.446  -0.413  -4.071
   34   2HB   PRO   5          1HB       PRO   5 -11.873   0.406  -3.430
   35   1HG   PRO   5          2HG       PRO   5  -9.663   1.491  -5.120
   36   2HG   PRO   5          1HG       PRO   5 -11.401   1.836  -5.186
   37   1HD   PRO   5          2HD       PRO   5  -9.666   3.557  -4.076
   38   2HD   PRO   5          1HD       PRO   5 -11.299   3.328  -3.413
   39    H    CYS   6           H        CYS   6  -9.704  -1.392  -1.136
   40    HA   CYS   6           HA       CYS   6  -7.007  -1.793  -2.199
   41   1HB   CYS   6          2HB       CYS   6  -6.231  -2.448   0.099
   42   2HB   CYS   6          1HB       CYS   6  -6.580  -0.734  -0.095
   43    H    ILE   7           H        ILE   7  -8.224  -3.378  -3.469
   44    HA   ILE   7           HA       ILE   7  -8.491  -5.893  -1.976
   45    HB   ILE   7           HB       ILE   7 -10.362  -4.983  -4.155
   46   1HG1  ILE   7          2HG1      ILE   7 -11.760  -5.583  -1.783
   47   2HG1  ILE   7          1HG1      ILE   7 -10.393  -4.584  -1.297
   48   1HG2  ILE   7          1HG2      ILE   7 -10.250  -7.283  -4.396
   49   2HG2  ILE   7          2HG2      ILE   7 -11.594  -7.098  -3.268
   50   3HG2  ILE   7          3HG2      ILE   7  -9.996  -7.553  -2.672
   51   1HD1  ILE   7          1HD1      ILE   7 -11.469  -3.366  -3.577
   52   2HD1  ILE   7          2HD1      ILE   7 -11.553  -2.807  -1.906
   53   3HD1  ILE   7          3HD1      ILE   7 -12.839  -3.821  -2.563
   54    H    CYS   8           H        CYS   8  -6.182  -5.686  -3.012
   55    HA   CYS   8           HA       CYS   8  -6.129  -6.505  -5.802
   56   1HB   CYS   8          2HB       CYS   8  -4.031  -5.807  -3.762
   57   2HB   CYS   8          1HB       CYS   8  -3.602  -6.569  -5.284
   58    H    THR   9           H        THR   9  -5.616  -7.761  -2.607
   59    HA   THR   9           HA       THR   9  -6.041 -10.449  -3.390
   60    HB   THR   9           HB       THR   9  -3.862 -10.629  -4.098
   61    HG1  THR   9           1HG      THR   9  -3.126 -11.074  -1.470
   62   1HG2  THR   9          1HG2      THR   9  -2.661  -9.152  -1.814
   63   2HG2  THR   9          2HG2      THR   9  -3.278  -8.278  -3.215
   64   3HG2  THR   9          3HG2      THR   9  -1.997  -9.472  -3.416
   65    H    MET  10           H        MET  10  -6.884 -11.503  -1.693
   66    HA   MET  10           HA       MET  10  -6.841 -10.188   0.887
   67   1HB   MET  10          2HB       MET  10  -8.316 -12.646  -0.075
   68   2HB   MET  10          1HB       MET  10  -8.526 -11.891   1.494
   69   1HG   MET  10          2HG       MET  10  -8.858 -10.029  -0.711
   70   2HG   MET  10          1HG       MET  10  -9.996 -11.374  -0.761
   71   1HE   MET  10          1HE       MET  10 -10.527 -12.307   1.653
   72   2HE   MET  10          2HE       MET  10 -11.865 -11.383   2.337
   73   3HE   MET  10          3HE       MET  10 -10.278 -11.335   3.105
   74    H    GLN  11           H        GLN  11  -4.536 -11.704  -0.401
   75    HA   GLN  11           HA       GLN  11  -4.140 -13.847   1.542
   76   1HB   GLN  11          2HB       GLN  11  -2.805 -13.037  -1.010
   77   2HB   GLN  11          1HB       GLN  11  -1.922 -14.027   0.145
   78   1HG   GLN  11          2HG       GLN  11  -2.849 -15.752  -0.912
   79   2HG   GLN  11          1HG       GLN  11  -4.305 -15.340  -0.007
   80   1HE2  GLN  11          1HE2      GLN  11  -3.122 -15.990  -2.996
   81   2HE2  GLN  11          2HE2      GLN  11  -4.338 -15.235  -3.963
   82    H    TYR  12           H        TYR  12  -1.340 -12.184   0.369
   83    HA   TYR  12           HA       TYR  12  -1.007 -10.244   2.332
   84   1HB   TYR  12          2HB       TYR  12  -0.963 -12.634   3.583
   85   2HB   TYR  12          1HB       TYR  12   0.741 -12.480   3.167
   86    HD1  TYR  12           1HD      TYR  12   0.511  -9.313   3.350
   87    HD2  TYR  12           2HD      TYR  12  -0.401 -12.533   5.976
   88    HE1  TYR  12           1HE      TYR  12   0.848  -7.826   5.280
   89    HE2  TYR  12           2HE      TYR  12  -0.069 -11.055   7.914
   90    HH   TYR  12           HH       TYR  12   0.383  -8.994   8.604
   91    H    ASP  13           H        ASP  13  -0.197  -9.336   0.369
   92    HA   ASP  13           HA       ASP  13   2.516 -10.234  -0.346
   93   1HB   ASP  13          2HB       ASP  13   0.317  -9.639  -1.984
   94   2HB   ASP  13          1HB       ASP  13   1.384  -8.245  -2.132
   95    HA   PRO  14           HA       PRO  14   2.714  -6.363   2.267
   96   1HB   PRO  14          2HB       PRO  14   5.149  -7.153   3.343
   97   2HB   PRO  14          1HB       PRO  14   3.567  -7.369   4.096
   98   1HG   PRO  14          2HG       PRO  14   5.204  -9.308   2.528
   99   2HG   PRO  14          1HG       PRO  14   4.194  -9.587   3.959
  100   1HD   PRO  14          2HD       PRO  14   3.361 -10.280   1.505
  101   2HD   PRO  14          1HD       PRO  14   2.231  -9.637   2.715
  102    H    VAL  15           H        VAL  15   3.153  -4.876   0.732
  103    HA   VAL  15           HA       VAL  15   5.799  -4.906  -0.532
  104    HB   VAL  15           HB       VAL  15   4.826  -3.394  -2.185
  105   1HG1  VAL  15          1HG1      VAL  15   3.848  -5.032  -3.439
  106   2HG1  VAL  15          2HG1      VAL  15   2.857  -5.610  -2.100
  107   3HG1  VAL  15          3HG1      VAL  15   4.570  -6.022  -2.170
  108   1HG2  VAL  15          1HG2      VAL  15   2.282  -3.750  -0.621
  109   2HG2  VAL  15          2HG2      VAL  15   2.384  -3.006  -2.217
  110   3HG2  VAL  15          3HG2      VAL  15   3.191  -2.255  -0.840
  111    H    CYS  16           H        CYS  16   7.167  -3.356  -0.174
  112    HA   CYS  16           HA       CYS  16   6.669  -1.453   1.902
  113   1HB   CYS  16          2HB       CYS  16   8.879  -2.763   0.806
  114   2HB   CYS  16          1HB       CYS  16   9.135  -1.061   0.502
  115    H    GLY  17           H        GLY  17   5.858   0.528   1.630
  116   1HA   GLY  17          2HA       GLY  17   5.961   1.650  -1.075
  117   2HA   GLY  17          1HA       GLY  17   4.723   2.018   0.106
  118    H    SER  18           H        SER  18   6.662   3.590  -1.507
  119    HA   SER  18           HA       SER  18   8.689   4.740  -0.097
  120   1HB   SER  18          2HB       SER  18   6.788   5.953  -2.102
  121   2HB   SER  18          1HB       SER  18   8.182   6.826  -1.465
  122    HG   SER  18           HG       SER  18   8.256   5.348  -3.514
  123    H    ASP  19           H        ASP  19   8.388   5.016   1.962
  124    HA   ASP  19           HA       ASP  19   7.573   7.374   3.057
  125   1HB   ASP  19          2HB       ASP  19   5.292   5.787   2.396
  126   2HB   ASP  19          1HB       ASP  19   5.434   5.825   4.151
  127    H    GLY  20           H        GLY  20   7.968   3.956   3.285
  128   1HA   GLY  20          2HA       GLY  20   9.606   3.054   4.783
  129   2HA   GLY  20          1HA       GLY  20   9.149   4.287   5.952
  130    H    ILE  21           H        ILE  21   6.841   2.388   4.062
  131    HA   ILE  21           HA       ILE  21   6.238   0.869   6.514
  132    HB   ILE  21           HB       ILE  21   4.231   2.406   4.882
  133   1HG1  ILE  21          2HG1      ILE  21   5.627   3.541   6.718
  134   2HG1  ILE  21          1HG1      ILE  21   3.877   3.712   6.814
  135   1HG2  ILE  21          1HG2      ILE  21   3.937   0.035   6.571
  136   2HG2  ILE  21          2HG2      ILE  21   2.852   0.701   5.352
  137   3HG2  ILE  21          3HG2      ILE  21   2.850   1.358   6.988
  138   1HD1  ILE  21          1HD1      ILE  21   4.589   1.388   8.257
  139   2HD1  ILE  21          2HD1      ILE  21   3.931   2.907   8.869
  140   3HD1  ILE  21          3HD1      ILE  21   5.677   2.686   8.749
  141    H    THR  22           H        THR  22   5.641  -1.197   6.255
  142    HA   THR  22           HA       THR  22   5.612  -2.250   3.529
  143    HB   THR  22           HB       THR  22   5.462  -4.070   5.878
  144    HG1  THR  22           1HG      THR  22   7.468  -2.218   5.489
  145   1HG2  THR  22          1HG2      THR  22   7.262  -4.149   3.478
  146   2HG2  THR  22          2HG2      THR  22   5.655  -4.875   3.530
  147   3HG2  THR  22          3HG2      THR  22   6.918  -5.449   4.618
  148    H    TYR  23           H        TYR  23   3.648  -2.035   2.696
  149    HA   TYR  23           HA       TYR  23   1.256  -2.456   4.256
  150   1HB   TYR  23          2HB       TYR  23   1.567  -1.928   1.302
  151   2HB   TYR  23          1HB       TYR  23   0.117  -1.693   2.276
  152    HD1  TYR  23           1HD      TYR  23   3.295  -0.308   1.251
  153    HD2  TYR  23           2HD      TYR  23   0.106   0.091   4.039
  154    HE1  TYR  23           1HE      TYR  23   4.085   1.945   1.818
  155    HE2  TYR  23           2HE      TYR  23   0.879   2.355   4.600
  156    HH   TYR  23           HH       TYR  23   2.837   3.710   4.502
  157    H    GLY  24           H        GLY  24   0.138  -4.276   4.404
  158   1HA   GLY  24          2HA       GLY  24   0.992  -6.754   3.706
  159   2HA   GLY  24          1HA       GLY  24  -0.709  -6.355   3.887
  160    H    ASN  25           H        ASN  25  -0.616  -4.447   1.695
  161    HA   ASN  25           HA       ASN  25   0.091  -5.915  -0.653
  162   1HB   ASN  25          2HB       ASN  25  -2.728  -5.387  -0.969
  163   2HB   ASN  25          1HB       ASN  25  -1.853  -6.893  -1.198
  164   1HD2  ASN  25          1HD2      ASN  25  -3.808  -7.878  -0.420
  165   2HD2  ASN  25          2HD2      ASN  25  -4.088  -8.005   1.278
  166    H    ALA  26           H        ALA  26   0.100  -4.665  -2.494
  167    HA   ALA  26           HA       ALA  26   0.501  -1.949  -2.286
  168   1HB   ALA  26          1HB       ALA  26   1.008  -2.093  -4.456
  169   2HB   ALA  26          2HB       ALA  26  -0.611  -2.655  -4.876
  170   3HB   ALA  26          3HB       ALA  26   0.608  -3.807  -4.330
  171    H    CYS  27           H        CYS  27  -2.430  -3.704  -2.452
  172    HA   CYS  27           HA       CYS  27  -4.095  -1.464  -3.147
  173   1HB   CYS  27          2HB       CYS  27  -4.471  -4.340  -2.701
  174   2HB   CYS  27          1HB       CYS  27  -5.793  -3.342  -2.110
  175    H    MET  28           H        MET  28  -3.472  -3.452  -0.252
  176    HA   MET  28           HA       MET  28  -5.041  -2.087   1.578
  177   1HB   MET  28          2HB       MET  28  -2.321  -3.364   1.804
  178   2HB   MET  28          1HB       MET  28  -3.031  -2.529   3.169
  179   1HG   MET  28          2HG       MET  28  -5.084  -3.993   2.810
  180   2HG   MET  28          1HG       MET  28  -4.035  -4.989   1.810
  181   1HE   MET  28          1HE       MET  28  -4.876  -5.355   6.007
  182   2HE   MET  28          2HE       MET  28  -5.228  -6.558   4.767
  183   3HE   MET  28          3HE       MET  28  -5.775  -4.895   4.562
  184    H    LEU  29           H        LEU  29  -2.087  -1.343  -0.010
  185    HA   LEU  29           HA       LEU  29  -1.257   0.955   1.323
  186   1HB   LEU  29          2HB       LEU  29  -0.616  -0.507  -1.004
  187   2HB   LEU  29          1HB       LEU  29  -0.865   1.144  -1.513
  188    HG   LEU  29           HG       LEU  29   1.197   0.024   0.319
  189   1HD1  LEU  29          1HD1      LEU  29   1.583   0.461  -2.119
  190   2HD1  LEU  29          2HD1      LEU  29   2.678   1.324  -1.038
  191   3HD1  LEU  29          3HD1      LEU  29   1.328   2.174  -1.789
  192   1HD2  LEU  29          1HD2      LEU  29  -0.006   2.764   0.404
  193   2HD2  LEU  29          2HD2      LEU  29   1.678   2.509   0.852
  194   3HD2  LEU  29          3HD2      LEU  29   0.393   1.696   1.740
  195    H    LEU  30           H        LEU  30  -3.175   0.538  -1.598
  196    HA   LEU  30           HA       LEU  30  -3.879   3.156  -2.067
  197   1HB   LEU  30          2HB       LEU  30  -5.217   0.521  -2.531
  198   2HB   LEU  30          1HB       LEU  30  -6.143   1.984  -2.810
  199    HG   LEU  30           HG       LEU  30  -3.467   1.566  -4.105
  200   1HD1  LEU  30          1HD1      LEU  30  -6.045   0.870  -5.460
  201   2HD1  LEU  30          2HD1      LEU  30  -5.160  -0.332  -4.520
  202   3HD1  LEU  30          3HD1      LEU  30  -4.396   0.439  -5.911
  203   1HD2  LEU  30          1HD2      LEU  30  -5.827   3.360  -4.518
  204   2HD2  LEU  30          2HD2      LEU  30  -4.722   3.013  -5.848
  205   3HD2  LEU  30          3HD2      LEU  30  -4.119   3.775  -4.375
  206    H    CYS  31           H        CYS  31  -5.001   0.878   0.335
  207    HA   CYS  31           HA       CYS  31  -7.168   2.549   1.253
  208   1HB   CYS  31          2HB       CYS  31  -6.010  -0.064   1.973
  209   2HB   CYS  31          1HB       CYS  31  -6.627   0.855   3.342
  210    H    ALA  32           H        ALA  32  -3.805   2.051   1.941
  211    HA   ALA  32           HA       ALA  32  -3.629   3.449   4.386
  212   1HB   ALA  32          1HB       ALA  32  -1.772   2.151   4.037
  213   2HB   ALA  32          2HB       ALA  32  -1.162   3.721   3.513
  214   3HB   ALA  32          3HB       ALA  32  -1.695   2.538   2.318
  215    H    SER  33           H        SER  33  -2.686   4.417   1.088
  216    HA   SER  33           HA       SER  33  -2.115   7.071   1.575
  217   1HB   SER  33          2HB       SER  33  -2.702   5.450  -0.735
  218   2HB   SER  33          1HB       SER  33  -3.481   7.024  -0.901
  219    HG   SER  33           HG       SER  33  -1.584   7.952  -1.064
  220    H    ALA  34           H        ALA  34  -5.223   5.491   1.226
  221    HA   ALA  34           HA       ALA  34  -6.657   8.024   1.341
  222   1HB   ALA  34          1HB       ALA  34  -8.620   6.209   1.419
  223   2HB   ALA  34          2HB       ALA  34  -7.344   5.230   0.695
  224   3HB   ALA  34          3HB       ALA  34  -7.847   6.734  -0.076
  225    H    ARG  35           H        ARG  35  -5.322   5.980   3.613
  226    HA   ARG  35           HA       ARG  35  -7.454   6.453   5.568
  227   1HB   ARG  35          2HB       ARG  35  -5.590   4.318   5.153
  228   2HB   ARG  35          1HB       ARG  35  -5.350   4.988   6.757
  229   1HG   ARG  35          2HG       ARG  35  -7.122   3.899   7.502
  230   2HG   ARG  35          1HG       ARG  35  -8.145   4.708   6.313
  231   1HD   ARG  35          2HD       ARG  35  -7.571   3.005   4.657
  232   2HD   ARG  35          1HD       ARG  35  -6.532   2.204   5.835
  233    HE   ARG  35           HE       ARG  35  -9.399   2.059   5.668
  234   1HH1  ARG  35          1HH1      ARG  35  -6.635   1.753   7.772
  235   2HH1  ARG  35          2HH1      ARG  35  -7.435   0.688   8.880
  236   1HH2  ARG  35          1HH2      ARG  35 -10.458   0.655   7.123
  237   2HH2  ARG  35          2HH2      ARG  35  -9.608   0.065   8.512
  238    H    SER  36           H        SER  36  -3.937   6.842   5.240
  239    HA   SER  36           HA       SER  36  -3.798   8.432   7.634
  240   1HB   SER  36          2HB       SER  36  -1.942   6.968   7.087
  241   2HB   SER  36          1HB       SER  36  -1.709   7.786   5.543
  242    HG   SER  36           HG       SER  36  -0.383   8.984   6.651
  243    H    ASP  37           H        ASP  37  -1.932   9.515   4.921
  244    HA   ASP  37           HA       ASP  37  -3.561  11.538   3.915
  245   1HB   ASP  37          2HB       ASP  37  -3.258  12.240   6.401
  246   2HB   ASP  37          1HB       ASP  37  -1.638  12.717   5.902
  247    H    THR  38           H        THR  38  -0.369  10.365   4.681
  248    HA   THR  38           HA       THR  38   0.983  12.057   2.791
  249    HB   THR  38           HB       THR  38   2.550   9.764   3.427
  250    HG1  THR  38           1HG      THR  38   1.427   9.249   5.187
  251   1HG2  THR  38          1HG2      THR  38   3.430  12.027   3.119
  252   2HG2  THR  38          2HG2      THR  38   3.935  11.316   4.651
  253   3HG2  THR  38          3HG2      THR  38   2.650  12.523   4.620
  254    HA   PRO  39           HA       PRO  39   0.137   9.532  -0.756
  255   1HB   PRO  39          2HB       PRO  39   1.765  10.793  -2.496
  256   2HB   PRO  39          1HB       PRO  39   0.264  11.524  -1.915
  257   1HG   PRO  39          2HG       PRO  39   3.078  12.007  -1.018
  258   2HG   PRO  39          1HG       PRO  39   1.780  13.179  -1.311
  259   1HD   PRO  39          2HD       PRO  39   2.467  12.291   1.176
  260   2HD   PRO  39          1HD       PRO  39   0.830  12.827   0.750
  261    H    ILE  40           H        ILE  40   1.120   7.597   0.121
  262    HA   ILE  40           HA       ILE  40   3.926   7.135  -0.021
  263    HB   ILE  40           HB       ILE  40   3.353   4.798   0.420
  264   1HG1  ILE  40          2HG1      ILE  40   0.932   5.541  -0.869
  265   2HG1  ILE  40          1HG1      ILE  40   1.420   3.945  -0.323
  266   1HG2  ILE  40          1HG2      ILE  40   2.071   5.162   2.541
  267   2HG2  ILE  40          2HG2      ILE  40   1.836   6.837   2.038
  268   3HG2  ILE  40          3HG2      ILE  40   3.464   6.224   2.331
  269   1HD1  ILE  40          1HD1      ILE  40   0.440   4.445   1.886
  270   2HD1  ILE  40          2HD1      ILE  40  -0.739   4.498   0.575
  271   3HD1  ILE  40          3HD1      ILE  40  -0.111   5.998   1.257
  272    H    GLU  41           H        GLU  41   4.999   5.616  -1.441
  273    HA   GLU  41           HA       GLU  41   3.617   4.951  -3.927
  274   1HB   GLU  41          2HB       GLU  41   5.610   7.070  -3.673
  275   2HB   GLU  41          1HB       GLU  41   6.039   5.871  -4.886
  276   1HG   GLU  41          2HG       GLU  41   3.400   6.325  -5.425
  277   2HG   GLU  41          1HG       GLU  41   3.963   7.917  -4.918
  278    H    LEU  42           H        LEU  42   3.872   2.811  -3.841
  279    HA   LEU  42           HA       LEU  42   5.493   1.147  -2.651
  280   1HB   LEU  42          2HB       LEU  42   4.078   1.017  -5.079
  281   2HB   LEU  42          1HB       LEU  42   5.627   0.254  -5.333
  282    HG   LEU  42           HG       LEU  42   3.648  -1.204  -4.551
  283   1HD1  LEU  42          1HD1      LEU  42   5.860  -1.703  -2.698
  284   2HD1  LEU  42          2HD1      LEU  42   6.350  -1.466  -4.376
  285   3HD1  LEU  42          3HD1      LEU  42   5.185  -2.726  -3.967
  286   1HD2  LEU  42          1HD2      LEU  42   3.633   0.657  -2.489
  287   2HD2  LEU  42          2HD2      LEU  42   4.364  -0.783  -1.780
  288   3HD2  LEU  42          3HD2      LEU  42   2.772  -0.882  -2.532
  289    H    VAL  43           H        VAL  43   7.472   0.172  -2.826
  290    HA   VAL  43           HA       VAL  43   9.452   1.424  -4.598
  291    HB   VAL  43           HB       VAL  43  10.247   0.818  -1.786
  292   1HG1  VAL  43          1HG1      VAL  43  11.172   2.894  -3.770
  293   2HG1  VAL  43          2HG1      VAL  43  11.945   1.333  -3.492
  294   3HG1  VAL  43          3HG1      VAL  43  11.909   2.541  -2.207
  295   1HG2  VAL  43          1HG2      VAL  43   8.614   2.233  -1.109
  296   2HG2  VAL  43          2HG2      VAL  43   8.533   3.062  -2.664
  297   3HG2  VAL  43          3HG2      VAL  43   9.840   3.426  -1.537
  298    H    HIS  44           H        HIS  44   8.610  -1.244  -2.458
  299    HA   HIS  44           HA       HIS  44   9.990  -3.083  -4.182
  300   1HB   HIS  44          2HB       HIS  44  10.824  -3.834  -1.571
  301   2HB   HIS  44          1HB       HIS  44  11.825  -3.398  -2.951
  302    HD1  HIS  44           1HD      HIS  44  12.432  -0.794  -3.152
  303    HD2  HIS  44           2HD      HIS  44  10.792  -2.017   0.462
  304    HE1  HIS  44           1HE      HIS  44  12.879   1.086  -1.542
  305    HE2  HIS  44           2HE      HIS  44  11.866   0.333   0.635
  306    H    LYS  45           H        LYS  45   8.784  -4.835  -4.397
  307    HA   LYS  45           HA       LYS  45   6.406  -5.180  -2.877
  308   1HB   LYS  45          2HB       LYS  45   7.719  -6.572  -5.145
  309   2HB   LYS  45          1HB       LYS  45   6.568  -7.508  -4.203
  310   1HG   LYS  45          2HG       LYS  45   4.811  -6.422  -5.052
  311   2HG   LYS  45          1HG       LYS  45   5.603  -4.849  -4.928
  312   1HD   LYS  45          2HD       LYS  45   5.890  -4.878  -7.133
  313   2HD   LYS  45          1HD       LYS  45   6.974  -6.257  -6.934
  314   1HE   LYS  45          2HE       LYS  45   3.983  -6.415  -7.282
  315   2HE   LYS  45          1HE       LYS  45   5.175  -6.708  -8.547
  316   1HZ   LYS  45          1HZ       LYS  45   4.328  -8.756  -7.504
  317   2HZ   LYS  45          2HZ       LYS  45   4.990  -8.267  -6.027
  318   3HZ   LYS  45          3HZ       LYS  45   6.004  -8.589  -7.343
  319    H    GLY  46           H        GLY  46   7.922  -5.206  -0.830
  320   1HA   GLY  46          2HA       GLY  46   7.630  -7.735   0.362
  321   2HA   GLY  46          1HA       GLY  46   9.314  -7.525  -0.106
  322    H    ARG  47           H        ARG  47   9.703  -7.658   2.243
  323    HA   ARG  47           HA       ARG  47   8.837  -5.350   3.781
  324   1HB   ARG  47          2HB       ARG  47  10.750  -7.477   4.722
  325   2HB   ARG  47          1HB       ARG  47   9.713  -6.439   5.691
  326   1HG   ARG  47          2HG       ARG  47   7.748  -7.621   4.653
  327   2HG   ARG  47          1HG       ARG  47   8.904  -8.770   3.976
  328   1HD   ARG  47          2HD       ARG  47   9.295  -8.290   6.823
  329   2HD   ARG  47          1HD       ARG  47   7.703  -8.947   6.446
  330    HE   ARG  47           HE       ARG  47   9.232 -10.610   5.075
  331   1HH1  ARG  47          1HH1      ARG  47   9.656  -9.361   8.301
  332   2HH1  ARG  47          2HH1      ARG  47  10.512 -10.756   8.866
  333   1HH2  ARG  47          1HH2      ARG  47  10.355 -12.450   5.812
  334   2HH2  ARG  47          2HH2      ARG  47  10.908 -12.512   7.453
  335    H    CYS  48           H        CYS  48  10.158  -4.259   1.864
  336    HA   CYS  48           HA       CYS  48  12.011  -3.097   1.195
  337   1HB   CYS  48          2HB       CYS  48  11.687  -2.694   4.121
  338   2HB   CYS  48          1HB       CYS  48  13.109  -2.000   3.344
  Start of MODEL   16
    1   1H    LYS   1          1HT       LYS   1 -15.353  11.913  -6.360
    2   2H    LYS   1          2HT       LYS   1 -15.866  10.281  -6.232
    3   3H    LYS   1          3HT       LYS   1 -14.922  10.783  -7.574
    4    HA   LYS   1           HA       LYS   1 -13.028  10.772  -6.457
    5   1HB   LYS   1          2HB       LYS   1 -12.871  11.283  -4.058
    6   2HB   LYS   1          1HB       LYS   1 -13.757  12.531  -4.924
    7   1HG   LYS   1          2HG       LYS   1 -15.709  10.741  -4.090
    8   2HG   LYS   1          1HG       LYS   1 -14.594  10.859  -2.728
    9   1HD   LYS   1          2HD       LYS   1 -15.956  13.154  -4.136
   10   2HD   LYS   1          1HD       LYS   1 -16.339  12.534  -2.530
   11   1HE   LYS   1          2HE       LYS   1 -14.928  14.084  -1.764
   12   2HE   LYS   1          1HE       LYS   1 -13.643  13.038  -2.367
   13   1HZ   LYS   1          1HZ       LYS   1 -14.237  15.624  -3.174
   14   2HZ   LYS   1          2HZ       LYS   1 -14.652  14.623  -4.473
   15   3HZ   LYS   1          3HZ       LYS   1 -13.085  14.578  -3.838
   16    HA   PRO   2           HA       PRO   2 -14.258   6.373  -5.845
   17   1HB   PRO   2          2HB       PRO   2 -11.547   6.049  -6.993
   18   2HB   PRO   2          1HB       PRO   2 -13.067   5.284  -7.467
   19   1HG   PRO   2          2HG       PRO   2 -11.957   7.197  -8.966
   20   2HG   PRO   2          1HG       PRO   2 -13.715   7.079  -8.776
   21   1HD   PRO   2          2HD       PRO   2 -11.790   8.963  -7.475
   22   2HD   PRO   2          1HD       PRO   2 -13.430   9.269  -8.086
   23    H    ASP   3           H        ASP   3 -12.361   4.570  -5.197
   24    HA   ASP   3           HA       ASP   3 -10.349   5.341  -3.430
   25   1HB   ASP   3          2HB       ASP   3 -12.726   5.977  -2.288
   26   2HB   ASP   3          1HB       ASP   3 -12.521   4.329  -1.701
   27    H    ALA   4           H        ALA   4  -9.383   3.548  -2.316
   28    HA   ALA   4           HA       ALA   4 -10.414   0.919  -3.149
   29   1HB   ALA   4          1HB       ALA   4  -7.673   0.599  -3.030
   30   2HB   ALA   4          2HB       ALA   4  -7.876   2.172  -3.801
   31   3HB   ALA   4          3HB       ALA   4  -8.643   0.744  -4.496
   32    HA   PRO   5           HA       PRO   5 -10.355   0.774   1.429
   33   1HB   PRO   5          2HB       PRO   5 -11.283  -1.941   0.582
   34   2HB   PRO   5          1HB       PRO   5 -11.896  -0.897   1.870
   35   1HG   PRO   5          2HG       PRO   5 -13.200  -1.104  -0.443
   36   2HG   PRO   5          1HG       PRO   5 -13.076   0.452   0.398
   37   1HD   PRO   5          2HD       PRO   5 -11.678  -0.495  -2.051
   38   2HD   PRO   5          1HD       PRO   5 -12.160   1.148  -1.587
   39    H    CYS   6           H        CYS   6  -9.546  -1.160   2.868
   40    HA   CYS   6           HA       CYS   6  -6.985  -2.032   1.726
   41   1HB   CYS   6          2HB       CYS   6  -6.861  -2.426   4.486
   42   2HB   CYS   6          1HB       CYS   6  -6.098  -1.130   3.572
   43    H    ILE   7           H        ILE   7  -9.110  -3.520   1.012
   44    HA   ILE   7           HA       ILE   7  -8.454  -6.065   2.231
   45    HB   ILE   7           HB       ILE   7 -11.221  -4.908   2.209
   46   1HG1  ILE   7          2HG1      ILE   7  -9.899  -4.368   4.184
   47   2HG1  ILE   7          1HG1      ILE   7 -11.180  -5.499   4.608
   48   1HG2  ILE   7          1HG2      ILE   7 -10.442  -7.606   1.737
   49   2HG2  ILE   7          2HG2      ILE   7 -12.069  -6.946   1.893
   50   3HG2  ILE   7          3HG2      ILE   7 -11.211  -7.521   3.323
   51   1HD1  ILE   7          1HD1      ILE   7  -9.616  -7.319   4.667
   52   2HD1  ILE   7          2HD1      ILE   7  -9.023  -6.005   5.682
   53   3HD1  ILE   7          3HD1      ILE   7  -8.321  -6.273   4.087
   54    H    CYS   8           H        CYS   8  -7.538  -5.712  -0.089
   55    HA   CYS   8           HA       CYS   8  -9.398  -6.130  -2.246
   56   1HB   CYS   8          2HB       CYS   8  -6.623  -5.436  -1.947
   57   2HB   CYS   8          1HB       CYS   8  -6.795  -6.752  -3.098
   58    H    THR   9           H        THR   9  -7.021  -8.010  -0.487
   59    HA   THR   9           HA       THR   9  -8.413 -10.447  -0.758
   60    HB   THR   9           HB       THR   9  -7.651 -10.482  -3.018
   61    HG1  THR   9           1HG      THR   9  -7.372 -12.468  -2.091
   62   1HG2  THR   9          1HG2      THR   9  -5.650  -9.850  -3.833
   63   2HG2  THR   9          2HG2      THR   9  -4.778 -10.349  -2.385
   64   3HG2  THR   9          3HG2      THR   9  -5.675  -8.832  -2.393
   65    H    MET  10           H        MET  10  -6.515 -12.292  -0.389
   66    HA   MET  10           HA       MET  10  -4.998 -11.279   1.916
   67   1HB   MET  10          2HB       MET  10  -6.802 -13.501   1.691
   68   2HB   MET  10          1HB       MET  10  -5.190 -14.107   2.053
   69   1HG   MET  10          2HG       MET  10  -5.219 -13.307   4.141
   70   2HG   MET  10          1HG       MET  10  -6.000 -11.802   3.660
   71   1HE   MET  10          1HE       MET  10  -6.304 -13.413   6.239
   72   2HE   MET  10          2HE       MET  10  -6.656 -15.067   5.739
   73   3HE   MET  10          3HE       MET  10  -7.906 -14.096   6.514
   74    H    GLN  11           H        GLN  11  -4.440 -11.571  -1.050
   75    HA   GLN  11           HA       GLN  11  -2.439 -13.558  -1.350
   76   1HB   GLN  11          2HB       GLN  11  -3.814 -12.035  -3.097
   77   2HB   GLN  11          1HB       GLN  11  -2.309 -11.129  -3.042
   78   1HG   GLN  11          2HG       GLN  11  -2.097 -12.626  -4.836
   79   2HG   GLN  11          1HG       GLN  11  -1.126 -13.302  -3.530
   80   1HE2  GLN  11          1HE2      GLN  11  -2.863 -14.286  -5.939
   81   2HE2  GLN  11          2HE2      GLN  11  -3.675 -15.656  -5.271
   82    H    TYR  12           H        TYR  12  -1.654 -12.758   0.884
   83    HA   TYR  12           HA       TYR  12  -0.324 -10.757   1.778
   84   1HB   TYR  12          2HB       TYR  12  -0.010 -13.432   2.181
   85   2HB   TYR  12          1HB       TYR  12   1.589 -12.983   1.595
   86    HD1  TYR  12           1HD      TYR  12  -0.735 -10.943   3.655
   87    HD2  TYR  12           2HD      TYR  12   2.904 -13.144   3.528
   88    HE1  TYR  12           1HE      TYR  12  -0.157 -10.105   5.894
   89    HE2  TYR  12           2HE      TYR  12   3.492 -12.313   5.766
   90    HH   TYR  12           HH       TYR  12   1.560 -11.204   7.881
   91    H    ASP  13           H        ASP  13   0.098  -9.256   0.081
   92    HA   ASP  13           HA       ASP  13   2.671  -9.724  -1.279
   93   1HB   ASP  13          2HB       ASP  13   0.148  -8.980  -2.371
   94   2HB   ASP  13          1HB       ASP  13   1.203  -7.574  -2.485
   95    HA   PRO  14           HA       PRO  14   2.793  -6.298   1.980
   96   1HB   PRO  14          2HB       PRO  14   5.239  -7.152   2.940
   97   2HB   PRO  14          1HB       PRO  14   3.668  -7.538   3.649
   98   1HG   PRO  14          2HG       PRO  14   5.374  -9.166   1.817
   99   2HG   PRO  14          1HG       PRO  14   4.399  -9.687   3.204
  100   1HD   PRO  14          2HD       PRO  14   3.559 -10.062   0.683
  101   2HD   PRO  14          1HD       PRO  14   2.421  -9.651   1.984
  102    H    VAL  15           H        VAL  15   3.097  -4.788   0.365
  103    HA   VAL  15           HA       VAL  15   5.725  -4.567  -0.892
  104    HB   VAL  15           HB       VAL  15   4.683  -2.909  -2.311
  105   1HG1  VAL  15          1HG1      VAL  15   3.342  -4.329  -3.586
  106   2HG1  VAL  15          2HG1      VAL  15   2.713  -5.154  -2.159
  107   3HG1  VAL  15          3HG1      VAL  15   4.379  -5.427  -2.672
  108   1HG2  VAL  15          1HG2      VAL  15   2.274  -2.401  -2.112
  109   2HG2  VAL  15          2HG2      VAL  15   3.213  -1.839  -0.729
  110   3HG2  VAL  15          3HG2      VAL  15   2.242  -3.305  -0.598
  111    H    CYS  16           H        CYS  16   7.170  -3.233  -0.242
  112    HA   CYS  16           HA       CYS  16   6.687  -1.480   1.968
  113   1HB   CYS  16          2HB       CYS  16   8.883  -2.841   0.882
  114   2HB   CYS  16          1HB       CYS  16   9.249  -1.134   0.769
  115    H    GLY  17           H        GLY  17   5.861   0.461   1.751
  116   1HA   GLY  17          2HA       GLY  17   6.241   1.834  -0.802
  117   2HA   GLY  17          1HA       GLY  17   4.930   2.138   0.316
  118    H    SER  18           H        SER  18   7.058   3.753  -1.019
  119    HA   SER  18           HA       SER  18   8.971   4.729   0.668
  120   1HB   SER  18          2HB       SER  18   9.045   5.540  -1.539
  121   2HB   SER  18          1HB       SER  18   7.356   6.051  -1.500
  122    HG   SER  18           HG       SER  18   9.334   7.604  -1.145
  123    H    ASP  19           H        ASP  19   8.403   4.837   2.699
  124    HA   ASP  19           HA       ASP  19   7.533   7.175   3.839
  125   1HB   ASP  19          2HB       ASP  19   5.309   6.608   2.859
  126   2HB   ASP  19          1HB       ASP  19   5.302   5.124   3.805
  127    H    GLY  20           H        GLY  20   7.866   3.741   3.919
  128   1HA   GLY  20          2HA       GLY  20   9.353   2.755   5.531
  129   2HA   GLY  20          1HA       GLY  20   8.752   3.910   6.715
  130    H    ILE  21           H        ILE  21   6.691   2.151   4.447
  131    HA   ILE  21           HA       ILE  21   5.808   0.470   6.702
  132    HB   ILE  21           HB       ILE  21   4.031   2.191   4.989
  133   1HG1  ILE  21          2HG1      ILE  21   5.026   3.227   7.005
  134   2HG1  ILE  21          1HG1      ILE  21   3.276   3.081   7.128
  135   1HG2  ILE  21          1HG2      ILE  21   2.867   0.163   5.021
  136   2HG2  ILE  21          2HG2      ILE  21   2.178   1.079   6.361
  137   3HG2  ILE  21          3HG2      ILE  21   3.354  -0.195   6.677
  138   1HD1  ILE  21          1HD1      ILE  21   3.639   1.000   8.468
  139   2HD1  ILE  21          2HD1      ILE  21   4.198   2.490   9.228
  140   3HD1  ILE  21          3HD1      ILE  21   5.358   1.391   8.481
  141    H    THR  22           H        THR  22   5.353  -1.580   6.234
  142    HA   THR  22           HA       THR  22   5.499  -2.424   3.433
  143    HB   THR  22           HB       THR  22   5.321  -4.341   5.734
  144    HG1  THR  22           1HG      THR  22   7.064  -3.481   6.521
  145   1HG2  THR  22          1HG2      THR  22   5.324  -5.233   3.466
  146   2HG2  THR  22          2HG2      THR  22   6.766  -5.709   4.365
  147   3HG2  THR  22          3HG2      THR  22   6.863  -4.428   3.155
  148    H    TYR  23           H        TYR  23   3.545  -2.091   2.578
  149    HA   TYR  23           HA       TYR  23   1.116  -2.617   4.006
  150   1HB   TYR  23          2HB       TYR  23   1.515  -1.960   1.090
  151   2HB   TYR  23          1HB       TYR  23   0.043  -1.745   2.037
  152    HD1  TYR  23           1HD      TYR  23   3.336  -0.409   1.251
  153    HD2  TYR  23           2HD      TYR  23  -0.067   0.027   3.769
  154    HE1  TYR  23           1HE      TYR  23   4.132   1.819   1.928
  155    HE2  TYR  23           2HE      TYR  23   0.717   2.263   4.439
  156    HH   TYR  23           HH       TYR  23   2.578   3.624   4.481
  157    H    GLY  24           H        GLY  24   0.042  -4.438   4.116
  158   1HA   GLY  24          2HA       GLY  24   0.797  -6.911   3.361
  159   2HA   GLY  24          1HA       GLY  24  -0.895  -6.459   3.502
  160    H    ASN  25           H        ASN  25  -0.570  -4.510   1.314
  161    HA   ASN  25           HA       ASN  25   0.245  -5.806  -1.034
  162   1HB   ASN  25          2HB       ASN  25  -2.254  -5.972  -1.914
  163   2HB   ASN  25          1HB       ASN  25  -1.461  -7.321  -1.110
  164   1HD2  ASN  25          1HD2      ASN  25  -2.790  -8.317   0.220
  165   2HD2  ASN  25          2HD2      ASN  25  -3.969  -7.562   1.230
  166    H    ALA  26           H        ALA  26  -0.049  -4.548  -2.899
  167    HA   ALA  26           HA       ALA  26   0.120  -1.833  -2.645
  168   1HB   ALA  26          1HB       ALA  26   0.793  -2.513  -4.718
  169   2HB   ALA  26          2HB       ALA  26  -0.809  -1.900  -5.124
  170   3HB   ALA  26          3HB       ALA  26  -0.556  -3.631  -4.912
  171    H    CYS  27           H        CYS  27  -2.692  -3.808  -2.628
  172    HA   CYS  27           HA       CYS  27  -4.576  -1.710  -3.157
  173   1HB   CYS  27          2HB       CYS  27  -4.711  -4.576  -2.464
  174   2HB   CYS  27          1HB       CYS  27  -6.050  -3.596  -1.873
  175    H    MET  28           H        MET  28  -3.561  -3.499  -0.253
  176    HA   MET  28           HA       MET  28  -4.954  -2.090   1.685
  177   1HB   MET  28          2HB       MET  28  -2.212  -3.313   1.592
  178   2HB   MET  28          1HB       MET  28  -2.716  -2.411   3.015
  179   1HG   MET  28          2HG       MET  28  -4.740  -4.305   2.252
  180   2HG   MET  28          1HG       MET  28  -3.182  -5.098   2.482
  181   1HE   MET  28          1HE       MET  28  -6.156  -5.040   5.003
  182   2HE   MET  28          2HE       MET  28  -4.870  -6.120   5.542
  183   3HE   MET  28          3HE       MET  28  -5.294  -6.040   3.833
  184    H    LEU  29           H        LEU  29  -2.041  -1.434  -0.081
  185    HA   LEU  29           HA       LEU  29  -1.157   0.929   1.034
  186   1HB   LEU  29          2HB       LEU  29  -0.716  -0.626  -1.285
  187   2HB   LEU  29          1HB       LEU  29  -0.970   1.009  -1.824
  188    HG   LEU  29           HG       LEU  29   1.276  -0.152  -0.290
  189   1HD1  LEU  29          1HD1      LEU  29   1.897   0.358  -2.435
  190   2HD1  LEU  29          2HD1      LEU  29   2.302   1.875  -1.631
  191   3HD1  LEU  29          3HD1      LEU  29   0.800   1.733  -2.540
  192   1HD2  LEU  29          1HD2      LEU  29   1.903   2.126   0.529
  193   2HD2  LEU  29          2HD2      LEU  29   0.524   1.419   1.354
  194   3HD2  LEU  29          3HD2      LEU  29   0.271   2.661   0.135
  195    H    LEU  30           H        LEU  30  -3.311   0.411  -1.703
  196    HA   LEU  30           HA       LEU  30  -3.986   3.019  -2.247
  197   1HB   LEU  30          2HB       LEU  30  -5.442   0.421  -2.495
  198   2HB   LEU  30          1HB       LEU  30  -6.320   1.907  -2.771
  199    HG   LEU  30           HG       LEU  30  -3.775   1.281  -4.238
  200   1HD1  LEU  30          1HD1      LEU  30  -6.574   0.660  -5.167
  201   2HD1  LEU  30          2HD1      LEU  30  -5.410  -0.538  -4.599
  202   3HD1  LEU  30          3HD1      LEU  30  -5.075   0.395  -6.058
  203   1HD2  LEU  30          1HD2      LEU  30  -5.144   3.598  -4.052
  204   2HD2  LEU  30          2HD2      LEU  30  -5.948   2.864  -5.440
  205   3HD2  LEU  30          3HD2      LEU  30  -4.202   3.121  -5.465
  206    H    CYS  31           H        CYS  31  -5.018   0.894   0.348
  207    HA   CYS  31           HA       CYS  31  -7.037   2.726   1.313
  208   1HB   CYS  31          2HB       CYS  31  -6.853   0.140   1.712
  209   2HB   CYS  31          1HB       CYS  31  -5.786   0.611   3.031
  210    H    ALA  32           H        ALA  32  -3.656   2.132   1.765
  211    HA   ALA  32           HA       ALA  32  -3.267   3.608   4.144
  212   1HB   ALA  32          1HB       ALA  32  -1.661   1.964   3.013
  213   2HB   ALA  32          2HB       ALA  32  -0.968   3.420   3.726
  214   3HB   ALA  32          3HB       ALA  32  -1.207   3.320   1.982
  215    H    SER  33           H        SER  33  -2.694   4.426   0.733
  216    HA   SER  33           HA       SER  33  -2.155   7.158   1.153
  217   1HB   SER  33          2HB       SER  33  -2.176   5.419  -1.020
  218   2HB   SER  33          1HB       SER  33  -3.443   6.584  -1.403
  219    HG   SER  33           HG       SER  33  -1.516   7.403  -2.154
  220    H    ALA  34           H        ALA  34  -5.071   5.369   1.211
  221    HA   ALA  34           HA       ALA  34  -6.776   7.643   0.625
  222   1HB   ALA  34          1HB       ALA  34  -7.319   5.379  -0.198
  223   2HB   ALA  34          2HB       ALA  34  -8.606   6.090   0.776
  224   3HB   ALA  34          3HB       ALA  34  -7.551   4.860   1.472
  225    H    ARG  35           H        ARG  35  -6.072   5.571   3.417
  226    HA   ARG  35           HA       ARG  35  -7.727   7.294   5.098
  227   1HB   ARG  35          2HB       ARG  35  -8.332   5.255   5.821
  228   2HB   ARG  35          1HB       ARG  35  -6.899   4.492   5.151
  229   1HG   ARG  35          2HG       ARG  35  -6.832   6.057   7.716
  230   2HG   ARG  35          1HG       ARG  35  -7.229   4.340   7.658
  231   1HD   ARG  35          2HD       ARG  35  -5.091   3.765   7.426
  232   2HD   ARG  35          1HD       ARG  35  -4.846   4.933   6.130
  233    HE   ARG  35           HE       ARG  35  -4.783   6.529   8.248
  234   1HH1  ARG  35          1HH1      ARG  35  -3.281   3.427   7.730
  235   2HH1  ARG  35          2HH1      ARG  35  -1.927   3.767   8.757
  236   1HH2  ARG  35          1HH2      ARG  35  -2.998   6.986   9.598
  237   2HH2  ARG  35          2HH2      ARG  35  -1.766   5.788   9.815
  238    H    SER  36           H        SER  36  -4.494   7.123   4.219
  239    HA   SER  36           HA       SER  36  -3.460   7.867   6.815
  240   1HB   SER  36          2HB       SER  36  -2.104   6.446   5.354
  241   2HB   SER  36          1HB       SER  36  -2.098   7.698   4.115
  242    HG   SER  36           HG       SER  36  -0.325   7.427   5.938
  243    H    ASP  37           H        ASP  37  -2.047   9.544   4.189
  244    HA   ASP  37           HA       ASP  37  -3.581  11.839   4.010
  245   1HB   ASP  37          2HB       ASP  37  -2.887  11.830   6.530
  246   2HB   ASP  37          1HB       ASP  37  -1.332  12.386   5.919
  247    H    THR  38           H        THR  38  -0.459  10.321   4.003
  248    HA   THR  38           HA       THR  38   0.508  12.272   2.023
  249    HB   THR  38           HB       THR  38   2.216  12.266   3.526
  250    HG1  THR  38           1HG      THR  38   3.711  10.436   2.961
  251   1HG2  THR  38          1HG2      THR  38   1.257  10.880   5.210
  252   2HG2  THR  38          2HG2      THR  38   2.896  10.312   4.893
  253   3HG2  THR  38          3HG2      THR  38   1.517   9.432   4.237
  254    HA   PRO  39           HA       PRO  39   0.090   9.157  -1.083
  255   1HB   PRO  39          2HB       PRO  39   1.575  10.308  -3.019
  256   2HB   PRO  39          1HB       PRO  39  -0.005  10.942  -2.544
  257   1HG   PRO  39          2HG       PRO  39   2.728  11.878  -1.753
  258   2HG   PRO  39          1HG       PRO  39   1.311  12.835  -2.226
  259   1HD   PRO  39          2HD       PRO  39   2.047  12.454   0.367
  260   2HD   PRO  39          1HD       PRO  39   0.362  12.694  -0.137
  261    H    ILE  40           H        ILE  40   1.270   7.486   0.041
  262    HA   ILE  40           HA       ILE  40   4.037   7.270   0.206
  263    HB   ILE  40           HB       ILE  40   3.690   4.852   0.411
  264   1HG1  ILE  40          2HG1      ILE  40   1.646   5.190  -1.362
  265   2HG1  ILE  40          1HG1      ILE  40   1.879   3.751  -0.380
  266   1HG2  ILE  40          1HG2      ILE  40   3.308   6.220   2.359
  267   2HG2  ILE  40          2HG2      ILE  40   2.134   4.905   2.330
  268   3HG2  ILE  40          3HG2      ILE  40   1.647   6.532   1.854
  269   1HD1  ILE  40          1HD1      ILE  40  -0.405   4.396  -0.231
  270   2HD1  ILE  40          2HD1      ILE  40   0.032   6.057   0.167
  271   3HD1  ILE  40          3HD1      ILE  40   0.357   4.761   1.318
  272    H    GLU  41           H        GLU  41   5.523   5.961  -1.064
  273    HA   GLU  41           HA       GLU  41   4.666   5.554  -3.846
  274   1HB   GLU  41          2HB       GLU  41   6.876   7.281  -2.856
  275   2HB   GLU  41          1HB       GLU  41   7.150   6.370  -4.336
  276   1HG   GLU  41          2HG       GLU  41   5.258   7.400  -5.389
  277   2HG   GLU  41          1HG       GLU  41   4.806   8.198  -3.884
  278    H    LEU  42           H        LEU  42   4.668   3.373  -3.776
  279    HA   LEU  42           HA       LEU  42   6.101   1.560  -2.475
  280   1HB   LEU  42          2HB       LEU  42   4.844   1.610  -5.044
  281   2HB   LEU  42          1HB       LEU  42   6.268   0.605  -5.093
  282    HG   LEU  42           HG       LEU  42   3.853  -0.328  -4.435
  283   1HD1  LEU  42          1HD1      LEU  42   6.414  -1.273  -4.467
  284   2HD1  LEU  42          2HD1      LEU  42   4.973  -2.233  -4.130
  285   3HD1  LEU  42          3HD1      LEU  42   5.923  -1.571  -2.799
  286   1HD2  LEU  42          1HD2      LEU  42   3.501  -0.488  -2.109
  287   2HD2  LEU  42          2HD2      LEU  42   3.837   1.215  -2.423
  288   3HD2  LEU  42          3HD2      LEU  42   5.090   0.178  -1.742
  289    H    VAL  43           H        VAL  43   8.016   0.447  -2.614
  290    HA   VAL  43           HA       VAL  43  10.085   1.587  -4.351
  291    HB   VAL  43           HB       VAL  43  10.318   2.761  -2.231
  292   1HG1  VAL  43          1HG1      VAL  43   9.420   1.405  -0.588
  293   2HG1  VAL  43          2HG1      VAL  43  11.150   1.312  -0.264
  294   3HG1  VAL  43          3HG1      VAL  43  10.338  -0.007  -1.107
  295   1HG2  VAL  43          1HG2      VAL  43  12.460   0.772  -2.923
  296   2HG2  VAL  43          2HG2      VAL  43  12.693   2.036  -1.716
  297   3HG2  VAL  43          3HG2      VAL  43  12.345   2.467  -3.390
  298    H    HIS  44           H        HIS  44   9.098  -1.012  -2.176
  299    HA   HIS  44           HA       HIS  44  10.378  -2.913  -3.928
  300   1HB   HIS  44          2HB       HIS  44  11.045  -3.865  -1.356
  301   2HB   HIS  44          1HB       HIS  44  12.139  -3.383  -2.647
  302    HD1  HIS  44           1HD      HIS  44  13.086  -0.948  -2.539
  303    HD2  HIS  44           2HD      HIS  44  10.873  -2.128   0.768
  304    HE1  HIS  44           1HE      HIS  44  13.609   0.735  -0.751
  305    HE2  HIS  44           2HE      HIS  44  12.316  -0.032   1.265
  306    H    LYS  45           H        LYS  45   8.937  -4.432  -4.322
  307    HA   LYS  45           HA       LYS  45   6.534  -4.658  -2.822
  308   1HB   LYS  45          2HB       LYS  45   7.569  -6.625  -4.862
  309   2HB   LYS  45          1HB       LYS  45   5.898  -6.356  -4.386
  310   1HG   LYS  45          2HG       LYS  45   5.678  -4.508  -5.675
  311   2HG   LYS  45          1HG       LYS  45   7.369  -4.037  -5.485
  312   1HD   LYS  45          2HD       LYS  45   6.865  -4.728  -7.786
  313   2HD   LYS  45          1HD       LYS  45   8.050  -5.793  -7.027
  314   1HE   LYS  45          2HE       LYS  45   6.306  -7.429  -6.568
  315   2HE   LYS  45          1HE       LYS  45   5.096  -6.357  -7.274
  316   1HZ   LYS  45          1HZ       LYS  45   5.777  -6.817  -9.371
  317   2HZ   LYS  45          2HZ       LYS  45   6.244  -8.275  -8.652
  318   3HZ   LYS  45          3HZ       LYS  45   7.392  -7.066  -8.933
  319    H    GLY  46           H        GLY  46   7.945  -5.023  -0.781
  320   1HA   GLY  46          2HA       GLY  46   7.445  -7.633   0.145
  321   2HA   GLY  46          1HA       GLY  46   9.157  -7.474  -0.233
  322    H    ARG  47           H        ARG  47   9.504  -7.811   2.080
  323    HA   ARG  47           HA       ARG  47   8.663  -5.617   3.794
  324   1HB   ARG  47          2HB       ARG  47  10.316  -8.055   4.481
  325   2HB   ARG  47          1HB       ARG  47   9.616  -6.917   5.625
  326   1HG   ARG  47          2HG       ARG  47   7.416  -7.666   4.244
  327   2HG   ARG  47          1HG       ARG  47   8.376  -9.144   4.179
  328   1HD   ARG  47          2HD       ARG  47   6.976  -9.229   6.126
  329   2HD   ARG  47          1HD       ARG  47   8.645  -9.008   6.647
  330    HE   ARG  47           HE       ARG  47   7.514  -6.481   6.440
  331   1HH1  ARG  47          1HH1      ARG  47   7.053  -9.387   8.300
  332   2HH1  ARG  47          2HH1      ARG  47   6.439  -8.558   9.691
  333   1HH2  ARG  47          1HH2      ARG  47   6.708  -5.373   8.272
  334   2HH2  ARG  47          2HH2      ARG  47   6.247  -6.275   9.677
  335    H    CYS  48           H        CYS  48  10.066  -4.407   2.077
  336    HA   CYS  48           HA       CYS  48  12.012  -3.322   1.531
  337   1HB   CYS  48          2HB       CYS  48  11.551  -3.037   4.458
  338   2HB   CYS  48          1HB       CYS  48  13.002  -2.324   3.761
  Start of MODEL   17
    1   1H    LYS   1          1HT       LYS   1  -9.426  11.495 -10.011
    2   2H    LYS   1          2HT       LYS   1 -10.045  11.720  -8.426
    3   3H    LYS   1          3HT       LYS   1 -11.100  11.285  -9.708
    4    HA   LYS   1           HA       LYS   1 -10.840   9.312  -8.715
    5   1HB   LYS   1          2HB       LYS   1  -8.416   9.407 -10.516
    6   2HB   LYS   1          1HB       LYS   1  -9.402   8.001 -10.136
    7   1HG   LYS   1          2HG       LYS   1 -11.291   8.998 -11.319
    8   2HG   LYS   1          1HG       LYS   1 -10.309  10.418 -11.690
    9   1HD   LYS   1          2HD       LYS   1  -8.704   8.443 -12.609
   10   2HD   LYS   1          1HD       LYS   1 -10.293   7.731 -12.897
   11   1HE   LYS   1          2HE       LYS   1  -9.929   8.882 -14.862
   12   2HE   LYS   1          1HE       LYS   1 -10.850  10.056 -13.923
   13   1HZ   LYS   1          1HZ       LYS   1  -9.037  11.381 -13.624
   14   2HZ   LYS   1          2HZ       LYS   1  -8.649  10.727 -15.135
   15   3HZ   LYS   1          3HZ       LYS   1  -7.927  10.109 -13.737
   16    HA   PRO   2           HA       PRO   2  -7.547   9.964  -5.597
   17   1HB   PRO   2          2HB       PRO   2  -9.044   9.581  -3.423
   18   2HB   PRO   2          1HB       PRO   2  -9.119  11.102  -4.321
   19   1HG   PRO   2          2HG       PRO   2 -11.006   8.781  -4.365
   20   2HG   PRO   2          1HG       PRO   2 -11.366  10.517  -4.364
   21   1HD   PRO   2          2HD       PRO   2 -11.346   8.908  -6.616
   22   2HD   PRO   2          1HD       PRO   2 -11.153  10.671  -6.631
   23    H    ASP   3           H        ASP   3  -6.991   8.484  -3.653
   24    HA   ASP   3           HA       ASP   3  -7.382   5.685  -4.489
   25   1HB   ASP   3          2HB       ASP   3  -5.219   5.448  -2.978
   26   2HB   ASP   3          1HB       ASP   3  -5.100   5.944  -4.662
   27    H    ALA   4           H        ALA   4  -8.195   4.240  -3.055
   28    HA   ALA   4           HA       ALA   4  -8.157   4.715  -0.224
   29   1HB   ALA   4          1HB       ALA   4 -10.847   4.416  -0.430
   30   2HB   ALA   4          2HB       ALA   4 -10.500   5.436  -1.826
   31   3HB   ALA   4          3HB       ALA   4 -10.020   5.958  -0.211
   32    HA   PRO   5           HA       PRO   5 -10.761   0.598  -1.200
   33   1HB   PRO   5          2HB       PRO   5  -9.869   0.515  -4.056
   34   2HB   PRO   5          1HB       PRO   5 -11.355  -0.104  -3.326
   35   1HG   PRO   5          2HG       PRO   5 -11.346   2.188  -4.697
   36   2HG   PRO   5          1HG       PRO   5 -12.346   1.985  -3.248
   37   1HD   PRO   5          2HD       PRO   5  -9.863   3.560  -3.622
   38   2HD   PRO   5          1HD       PRO   5 -11.202   3.807  -2.484
   39    H    CYS   6           H        CYS   6  -9.835  -1.519  -1.248
   40    HA   CYS   6           HA       CYS   6  -7.119  -1.918  -2.067
   41   1HB   CYS   6          2HB       CYS   6  -6.230  -2.386   0.196
   42   2HB   CYS   6          1HB       CYS   6  -6.686  -0.698  -0.008
   43    H    ILE   7           H        ILE   7  -8.583  -3.494  -3.164
   44    HA   ILE   7           HA       ILE   7  -8.765  -5.931  -1.533
   45    HB   ILE   7           HB       ILE   7 -10.818  -5.004  -3.534
   46   1HG1  ILE   7          2HG1      ILE   7 -10.955  -3.880  -1.335
   47   2HG1  ILE   7          1HG1      ILE   7 -12.341  -4.926  -1.627
   48   1HG2  ILE   7          1HG2      ILE   7 -11.530  -7.107  -3.704
   49   2HG2  ILE   7          2HG2      ILE   7 -11.542  -7.304  -1.952
   50   3HG2  ILE   7          3HG2      ILE   7 -10.061  -7.603  -2.863
   51   1HD1  ILE   7          1HD1      ILE   7 -11.676  -6.463  -0.044
   52   2HD1  ILE   7          2HD1      ILE   7 -11.198  -4.931   0.686
   53   3HD1  ILE   7          3HD1      ILE   7  -9.990  -5.947  -0.100
   54    H    CYS   8           H        CYS   8  -6.555  -5.620  -2.925
   55    HA   CYS   8           HA       CYS   8  -6.776  -6.585  -5.626
   56   1HB   CYS   8          2HB       CYS   8  -4.490  -5.995  -3.761
   57   2HB   CYS   8          1HB       CYS   8  -4.214  -6.805  -5.296
   58    H    THR   9           H        THR   9  -5.982  -7.877  -2.470
   59    HA   THR   9           HA       THR   9  -6.740 -10.505  -3.147
   60    HB   THR   9           HB       THR   9  -4.683 -10.672  -4.321
   61    HG1  THR   9           1HG      THR   9  -4.730 -12.526  -3.304
   62   1HG2  THR   9          1HG2      THR   9  -2.496 -10.309  -3.145
   63   2HG2  THR   9          2HG2      THR   9  -3.406  -9.429  -1.918
   64   3HG2  THR   9          3HG2      THR   9  -3.390  -8.854  -3.585
   65    H    MET  10           H        MET  10  -6.944 -11.801  -1.360
   66    HA   MET  10           HA       MET  10  -6.449 -10.470   1.200
   67   1HB   MET  10          2HB       MET  10  -8.524 -12.191   0.188
   68   2HB   MET  10          1HB       MET  10  -7.779 -12.942   1.593
   69   1HG   MET  10          2HG       MET  10  -9.754 -11.524   2.102
   70   2HG   MET  10          1HG       MET  10  -8.285 -11.067   2.964
   71   1HE   MET  10          1HE       MET  10  -9.245  -7.807   3.078
   72   2HE   MET  10          2HE       MET  10  -7.556  -7.895   2.578
   73   3HE   MET  10          3HE       MET  10  -8.233  -9.143   3.625
   74    H    GLN  11           H        GLN  11  -4.410 -11.715  -0.539
   75    HA   GLN  11           HA       GLN  11  -3.625 -14.126   0.872
   76   1HB   GLN  11          2HB       GLN  11  -2.680 -12.652  -1.534
   77   2HB   GLN  11          1HB       GLN  11  -1.523 -13.681  -0.701
   78   1HG   GLN  11          2HG       GLN  11  -3.432 -15.456  -0.860
   79   2HG   GLN  11          1HG       GLN  11  -4.004 -14.422  -2.167
   80   1HE2  GLN  11          1HE2      GLN  11  -2.851 -17.173  -2.117
   81   2HE2  GLN  11          2HE2      GLN  11  -1.547 -17.128  -3.249
   82    H    TYR  12           H        TYR  12  -1.043 -12.031  -0.057
   83    HA   TYR  12           HA       TYR  12  -0.639 -10.570   2.270
   84   1HB   TYR  12          2HB       TYR  12  -0.317 -13.257   2.811
   85   2HB   TYR  12          1HB       TYR  12   1.332 -12.720   2.513
   86    HD1  TYR  12           1HD      TYR  12  -1.702 -11.888   4.505
   87    HD2  TYR  12           2HD      TYR  12   2.536 -11.664   4.210
   88    HE1  TYR  12           1HE      TYR  12  -1.599 -10.980   6.789
   89    HE2  TYR  12           2HE      TYR  12   2.653 -10.757   6.493
   90    HH   TYR  12           HH       TYR  12   0.502 -11.020   8.691
   91    H    ASP  13           H        ASP  13  -0.119  -9.341   0.258
   92    HA   ASP  13           HA       ASP  13   2.628  -9.862  -0.655
   93   1HB   ASP  13          2HB       ASP  13   0.280  -9.253  -2.097
   94   2HB   ASP  13          1HB       ASP  13   1.283  -7.805  -2.166
   95    HA   PRO  14           HA       PRO  14   2.658  -6.207   2.270
   96   1HB   PRO  14          2HB       PRO  14   5.038  -6.976   3.418
   97   2HB   PRO  14          1HB       PRO  14   3.439  -7.376   4.051
   98   1HG   PRO  14          2HG       PRO  14   5.290  -9.032   2.390
   99   2HG   PRO  14          1HG       PRO  14   4.266  -9.519   3.754
  100   1HD   PRO  14          2HD       PRO  14   3.574 -10.023   1.204
  101   2HD   PRO  14          1HD       PRO  14   2.361  -9.632   2.441
  102    H    VAL  15           H        VAL  15   3.038  -4.837   0.530
  103    HA   VAL  15           HA       VAL  15   5.735  -4.731  -0.577
  104    HB   VAL  15           HB       VAL  15   4.782  -3.256  -2.255
  105   1HG1  VAL  15          1HG1      VAL  15   4.374  -5.914  -2.087
  106   2HG1  VAL  15          2HG1      VAL  15   3.897  -4.934  -3.473
  107   3HG1  VAL  15          3HG1      VAL  15   2.712  -5.344  -2.234
  108   1HG2  VAL  15          1HG2      VAL  15   3.146  -1.955  -1.337
  109   2HG2  VAL  15          2HG2      VAL  15   2.450  -3.292  -0.422
  110   3HG2  VAL  15          3HG2      VAL  15   2.147  -3.158  -2.153
  111    H    CYS  16           H        CYS  16   7.102  -3.249  -0.075
  112    HA   CYS  16           HA       CYS  16   6.502  -1.330   1.957
  113   1HB   CYS  16          2HB       CYS  16   8.766  -2.679   1.020
  114   2HB   CYS  16          1HB       CYS  16   9.063  -0.978   0.744
  115    H    GLY  17           H        GLY  17   5.737   0.633   1.633
  116   1HA   GLY  17          2HA       GLY  17   6.093   1.787  -1.043
  117   2HA   GLY  17          1HA       GLY  17   4.722   2.109   0.000
  118    H    SER  18           H        SER  18   6.692   3.813  -1.346
  119    HA   SER  18           HA       SER  18   8.580   4.990   0.196
  120   1HB   SER  18          2HB       SER  18   8.493   5.968  -1.888
  121   2HB   SER  18          1HB       SER  18   6.732   6.027  -1.904
  122    HG   SER  18           HG       SER  18   7.529   8.106  -1.654
  123    H    ASP  19           H        ASP  19   8.260   5.107   2.246
  124    HA   ASP  19           HA       ASP  19   7.252   7.256   3.552
  125   1HB   ASP  19          2HB       ASP  19   4.999   6.767   2.889
  126   2HB   ASP  19          1HB       ASP  19   5.174   5.069   3.319
  127    H    GLY  20           H        GLY  20   7.940   3.891   3.421
  128   1HA   GLY  20          2HA       GLY  20   9.556   2.893   4.840
  129   2HA   GLY  20          1HA       GLY  20   9.093   4.021   6.108
  130    H    ILE  21           H        ILE  21   6.675   2.372   4.183
  131    HA   ILE  21           HA       ILE  21   6.185   0.611   6.504
  132    HB   ILE  21           HB       ILE  21   4.326   2.539   5.235
  133   1HG1  ILE  21          2HG1      ILE  21   3.489   2.712   7.515
  134   2HG1  ILE  21          1HG1      ILE  21   4.440   1.311   7.997
  135   1HG2  ILE  21          1HG2      ILE  21   3.365  -0.133   6.253
  136   2HG2  ILE  21          2HG2      ILE  21   3.261   0.449   4.590
  137   3HG2  ILE  21          3HG2      ILE  21   2.338   1.247   5.864
  138   1HD1  ILE  21          1HD1      ILE  21   5.203   3.865   8.357
  139   2HD1  ILE  21          2HD1      ILE  21   5.970   3.516   6.809
  140   3HD1  ILE  21          3HD1      ILE  21   6.320   2.509   8.213
  141    H    THR  22           H        THR  22   5.383  -1.403   6.143
  142    HA   THR  22           HA       THR  22   5.500  -2.343   3.364
  143    HB   THR  22           HB       THR  22   5.506  -4.028   5.874
  144    HG1  THR  22           1HG      THR  22   7.328  -2.477   5.583
  145   1HG2  THR  22          1HG2      THR  22   5.935  -5.825   4.603
  146   2HG2  THR  22          2HG2      THR  22   6.881  -4.907   3.431
  147   3HG2  THR  22          3HG2      THR  22   5.119  -4.877   3.360
  148    H    TYR  23           H        TYR  23   3.513  -2.008   2.560
  149    HA   TYR  23           HA       TYR  23   1.126  -2.490   4.078
  150   1HB   TYR  23          2HB       TYR  23   1.453  -1.902   1.140
  151   2HB   TYR  23          1HB       TYR  23  -0.008  -1.692   2.104
  152    HD1  TYR  23           1HD      TYR  23   3.098  -0.236   1.050
  153    HD2  TYR  23           2HD      TYR  23   0.035   0.019   3.992
  154    HE1  TYR  23           1HE      TYR  23   3.876   2.012   1.649
  155    HE2  TYR  23           2HE      TYR  23   0.798   2.280   4.591
  156    HH   TYR  23           HH       TYR  23   2.499   3.772   4.370
  157    H    GLY  24           H        GLY  24   0.070  -4.313   4.274
  158   1HA   GLY  24          2HA       GLY  24   0.777  -6.797   3.552
  159   2HA   GLY  24          1HA       GLY  24  -0.910  -6.327   3.705
  160    H    ASN  25           H        ASN  25  -0.689  -4.440   1.487
  161    HA   ASN  25           HA       ASN  25   0.048  -5.896  -0.847
  162   1HB   ASN  25          2HB       ASN  25  -2.889  -5.729  -0.156
  163   2HB   ASN  25          1HB       ASN  25  -2.299  -6.060  -1.780
  164   1HD2  ASN  25          1HD2      ASN  25  -3.766  -7.563   0.466
  165   2HD2  ASN  25          2HD2      ASN  25  -2.970  -9.092   0.493
  166    H    ALA  26           H        ALA  26  -0.057  -4.649  -2.745
  167    HA   ALA  26           HA       ALA  26   0.303  -1.931  -2.544
  168   1HB   ALA  26          1HB       ALA  26  -0.184  -3.817  -4.726
  169   2HB   ALA  26          2HB       ALA  26   0.959  -2.478  -4.618
  170   3HB   ALA  26          3HB       ALA  26  -0.715  -2.172  -5.078
  171    H    CYS  27           H        CYS  27  -2.613  -3.735  -2.611
  172    HA   CYS  27           HA       CYS  27  -4.367  -1.522  -3.176
  173   1HB   CYS  27          2HB       CYS  27  -4.635  -4.412  -2.744
  174   2HB   CYS  27          1HB       CYS  27  -5.936  -3.467  -2.030
  175    H    MET  28           H        MET  28  -3.557  -3.543  -0.370
  176    HA   MET  28           HA       MET  28  -4.980  -2.274   1.621
  177   1HB   MET  28          2HB       MET  28  -2.123  -3.266   1.656
  178   2HB   MET  28          1HB       MET  28  -3.032  -2.849   3.092
  179   1HG   MET  28          2HG       MET  28  -4.611  -4.656   1.627
  180   2HG   MET  28          1HG       MET  28  -2.973  -5.304   1.665
  181   1HE   MET  28          1HE       MET  28  -4.336  -7.451   3.155
  182   2HE   MET  28          2HE       MET  28  -3.418  -7.384   4.659
  183   3HE   MET  28          3HE       MET  28  -2.618  -7.057   3.122
  184    H    LEU  29           H        LEU  29  -2.068  -1.456  -0.057
  185    HA   LEU  29           HA       LEU  29  -1.214   0.845   1.228
  186   1HB   LEU  29          2HB       LEU  29  -0.688  -0.552  -1.156
  187   2HB   LEU  29          1HB       LEU  29  -1.029   1.092  -1.631
  188    HG   LEU  29           HG       LEU  29   1.217   0.027   0.003
  189   1HD1  LEU  29          1HD1      LEU  29   1.093   2.257  -2.013
  190   2HD1  LEU  29          2HD1      LEU  29   1.372   0.570  -2.444
  191   3HD1  LEU  29          3HD1      LEU  29   2.526   1.421  -1.417
  192   1HD2  LEU  29          1HD2      LEU  29   0.480   1.602   1.553
  193   2HD2  LEU  29          2HD2      LEU  29  -0.109   2.687   0.307
  194   3HD2  LEU  29          3HD2      LEU  29   1.623   2.519   0.577
  195    H    LEU  30           H        LEU  30  -3.279   0.511  -1.609
  196    HA   LEU  30           HA       LEU  30  -3.992   3.130  -1.975
  197   1HB   LEU  30          2HB       LEU  30  -5.396   0.523  -2.412
  198   2HB   LEU  30          1HB       LEU  30  -6.298   2.010  -2.635
  199    HG   LEU  30           HG       LEU  30  -3.681   1.737  -4.024
  200   1HD1  LEU  30          1HD1      LEU  30  -4.517  -0.352  -4.633
  201   2HD1  LEU  30          2HD1      LEU  30  -5.023   0.708  -5.949
  202   3HD1  LEU  30          3HD1      LEU  30  -6.180   0.231  -4.707
  203   1HD2  LEU  30          1HD2      LEU  30  -4.416   3.501  -5.170
  204   2HD2  LEU  30          2HD2      LEU  30  -5.724   3.606  -3.991
  205   3HD2  LEU  30          3HD2      LEU  30  -5.967   2.731  -5.504
  206    H    CYS  31           H        CYS  31  -5.054   0.817   0.431
  207    HA   CYS  31           HA       CYS  31  -7.116   2.522   1.513
  208   1HB   CYS  31          2HB       CYS  31  -5.964  -0.125   2.126
  209   2HB   CYS  31          1HB       CYS  31  -6.523   0.776   3.530
  210    H    ALA  32           H        ALA  32  -3.733   1.899   2.039
  211    HA   ALA  32           HA       ALA  32  -3.400   3.247   4.492
  212   1HB   ALA  32          1HB       ALA  32  -1.784   1.787   2.771
  213   2HB   ALA  32          2HB       ALA  32  -1.298   2.535   4.293
  214   3HB   ALA  32          3HB       ALA  32  -1.081   3.405   2.774
  215    H    SER  33           H        SER  33  -2.710   4.275   1.155
  216    HA   SER  33           HA       SER  33  -1.985   6.895   1.666
  217   1HB   SER  33          2HB       SER  33  -2.183   5.474  -0.581
  218   2HB   SER  33          1HB       SER  33  -3.697   6.367  -0.719
  219    HG   SER  33           HG       SER  33  -2.545   7.980  -1.375
  220    H    ALA  34           H        ALA  34  -5.162   5.433   1.553
  221    HA   ALA  34           HA       ALA  34  -6.543   7.970   1.629
  222   1HB   ALA  34          1HB       ALA  34  -7.308   5.127   1.462
  223   2HB   ALA  34          2HB       ALA  34  -7.912   6.523   0.570
  224   3HB   ALA  34          3HB       ALA  34  -8.477   6.214   2.212
  225    H    ARG  35           H        ARG  35  -5.125   5.918   3.972
  226    HA   ARG  35           HA       ARG  35  -6.818   7.085   6.079
  227   1HB   ARG  35          2HB       ARG  35  -6.454   5.212   7.393
  228   2HB   ARG  35          1HB       ARG  35  -6.535   4.530   5.774
  229   1HG   ARG  35          2HG       ARG  35  -4.064   4.538   5.691
  230   2HG   ARG  35          1HG       ARG  35  -4.043   5.108   7.362
  231   1HD   ARG  35          2HD       ARG  35  -5.221   2.515   6.369
  232   2HD   ARG  35          1HD       ARG  35  -3.716   2.700   7.270
  233    HE   ARG  35           HE       ARG  35  -5.479   3.802   8.948
  234   1HH1  ARG  35          1HH1      ARG  35  -5.559   0.815   7.164
  235   2HH1  ARG  35          2HH1      ARG  35  -6.538  -0.009   8.333
  236   1HH2  ARG  35          1HH2      ARG  35  -6.767   2.725  10.498
  237   2HH2  ARG  35          2HH2      ARG  35  -7.223   1.076  10.227
  238    H    SER  36           H        SER  36  -3.626   7.127   4.805
  239    HA   SER  36           HA       SER  36  -2.390   7.987   7.267
  240   1HB   SER  36          2HB       SER  36  -1.084   6.653   5.722
  241   2HB   SER  36          1HB       SER  36  -1.332   7.831   4.437
  242    HG   SER  36           HG       SER  36   0.158   8.140   6.825
  243    H    ASP  37           H        ASP  37  -1.529   9.672   4.362
  244    HA   ASP  37           HA       ASP  37  -3.117  11.950   4.560
  245   1HB   ASP  37          2HB       ASP  37  -2.185  12.341   6.743
  246   2HB   ASP  37          1HB       ASP  37  -0.548  12.090   6.147
  247    H    THR  38           H        THR  38  -0.021  10.528   3.786
  248    HA   THR  38           HA       THR  38   0.224  12.383   1.511
  249    HB   THR  38           HB       THR  38   2.097  12.492   3.129
  250    HG1  THR  38           1HG      THR  38   3.744  11.836   1.437
  251   1HG2  THR  38          1HG2      THR  38   3.425  10.766   3.731
  252   2HG2  THR  38          2HG2      THR  38   3.139   9.875   2.237
  253   3HG2  THR  38          3HG2      THR  38   1.917   9.880   3.508
  254    HA   PRO  39           HA       PRO  39  -0.474   8.984  -1.196
  255   1HB   PRO  39          2HB       PRO  39   0.797   9.894  -3.416
  256   2HB   PRO  39          1HB       PRO  39  -0.751  10.538  -2.860
  257   1HG   PRO  39          2HG       PRO  39   2.005  11.641  -2.478
  258   2HG   PRO  39          1HG       PRO  39   0.507  12.492  -2.900
  259   1HD   PRO  39          2HD       PRO  39   1.515  12.473  -0.386
  260   2HD   PRO  39          1HD       PRO  39  -0.228  12.541  -0.717
  261    H    ILE  40           H        ILE  40   0.950   7.580   0.144
  262    HA   ILE  40           HA       ILE  40   3.644   7.238  -0.028
  263    HB   ILE  40           HB       ILE  40   3.180   4.763   0.212
  264   1HG1  ILE  40          2HG1      ILE  40   0.642   5.641  -0.792
  265   2HG1  ILE  40          1HG1      ILE  40   1.197   4.000  -0.498
  266   1HG2  ILE  40          1HG2      ILE  40   1.956   6.832   2.005
  267   2HG2  ILE  40          2HG2      ILE  40   3.470   5.950   2.203
  268   3HG2  ILE  40          3HG2      ILE  40   1.932   5.119   2.425
  269   1HD1  ILE  40          1HD1      ILE  40   0.391   4.095   1.769
  270   2HD1  ILE  40          2HD1      ILE  40  -0.902   4.546   0.659
  271   3HD1  ILE  40          3HD1      ILE  40  -0.051   5.792   1.573
  272    H    GLU  41           H        GLU  41   4.992   5.775  -1.330
  273    HA   GLU  41           HA       GLU  41   3.883   5.157  -3.985
  274   1HB   GLU  41          2HB       GLU  41   6.147   7.018  -3.404
  275   2HB   GLU  41          1HB       GLU  41   6.192   6.049  -4.872
  276   1HG   GLU  41          2HG       GLU  41   4.325   7.089  -5.769
  277   2HG   GLU  41          1HG       GLU  41   3.780   7.681  -4.201
  278    H    LEU  42           H        LEU  42   4.080   2.996  -3.936
  279    HA   LEU  42           HA       LEU  42   5.598   1.267  -2.668
  280   1HB   LEU  42          2HB       LEU  42   4.404   1.252  -5.253
  281   2HB   LEU  42          1HB       LEU  42   5.926   0.398  -5.323
  282    HG   LEU  42           HG       LEU  42   3.865  -1.002  -4.839
  283   1HD1  LEU  42          1HD1      LEU  42   5.252  -2.509  -3.974
  284   2HD1  LEU  42          2HD1      LEU  42   5.551  -1.531  -2.537
  285   3HD1  LEU  42          3HD1      LEU  42   6.479  -1.241  -4.009
  286   1HD2  LEU  42          1HD2      LEU  42   4.029  -0.379  -1.994
  287   2HD2  LEU  42          2HD2      LEU  42   2.622  -0.673  -3.015
  288   3HD2  LEU  42          3HD2      LEU  42   3.365   0.926  -2.975
  289    H    VAL  43           H        VAL  43   7.588   0.261  -2.782
  290    HA   VAL  43           HA       VAL  43   9.653   1.509  -4.444
  291    HB   VAL  43           HB       VAL  43  10.252   1.011  -1.545
  292   1HG1  VAL  43          1HG1      VAL  43  12.032   2.668  -1.998
  293   2HG1  VAL  43          2HG1      VAL  43  11.504   2.734  -3.679
  294   3HG1  VAL  43          3HG1      VAL  43  12.150   1.233  -3.017
  295   1HG2  VAL  43          1HG2      VAL  43   8.833   2.657  -1.005
  296   2HG2  VAL  43          2HG2      VAL  43   8.661   3.186  -2.679
  297   3HG2  VAL  43          3HG2      VAL  43  10.038   3.728  -1.720
  298    H    HIS  44           H        HIS  44   8.728  -1.094  -2.256
  299    HA   HIS  44           HA       HIS  44  10.180  -2.977  -3.887
  300   1HB   HIS  44          2HB       HIS  44  10.833  -3.720  -1.229
  301   2HB   HIS  44          1HB       HIS  44  11.929  -3.275  -2.533
  302    HD1  HIS  44           1HD      HIS  44  12.477  -0.639  -2.695
  303    HD2  HIS  44           2HD      HIS  44  10.711  -1.954   0.824
  304    HE1  HIS  44           1HE      HIS  44  12.856   1.205  -1.027
  305    HE2  HIS  44           2HE      HIS  44  11.747   0.407   1.086
  306    H    LYS  45           H        LYS  45   8.894  -4.650  -4.216
  307    HA   LYS  45           HA       LYS  45   6.465  -4.978  -2.770
  308   1HB   LYS  45          2HB       LYS  45   5.964  -6.725  -4.285
  309   2HB   LYS  45          1HB       LYS  45   6.860  -5.531  -5.212
  310   1HG   LYS  45          2HG       LYS  45   8.281  -7.102  -5.833
  311   2HG   LYS  45          1HG       LYS  45   8.747  -7.339  -4.147
  312   1HD   LYS  45          2HD       LYS  45   8.029  -9.451  -4.633
  313   2HD   LYS  45          1HD       LYS  45   6.500  -8.743  -4.109
  314   1HE   LYS  45          2HE       LYS  45   6.584  -8.107  -6.780
  315   2HE   LYS  45          1HE       LYS  45   7.320  -9.709  -6.740
  316   1HZ   LYS  45          1HZ       LYS  45   5.336 -10.615  -6.453
  317   2HZ   LYS  45          2HZ       LYS  45   4.623  -9.092  -6.639
  318   3HZ   LYS  45          3HZ       LYS  45   5.023  -9.656  -5.095
  319    H    GLY  46           H        GLY  46   7.915  -5.105  -0.696
  320   1HA   GLY  46          2HA       GLY  46   7.580  -7.695   0.373
  321   2HA   GLY  46          1HA       GLY  46   9.280  -7.431   0.003
  322    H    ARG  47           H        ARG  47   9.611  -7.635   2.331
  323    HA   ARG  47           HA       ARG  47   8.604  -5.426   3.935
  324   1HB   ARG  47          2HB       ARG  47  10.547  -7.451   4.978
  325   2HB   ARG  47          1HB       ARG  47   9.241  -6.627   5.819
  326   1HG   ARG  47          2HG       ARG  47   7.611  -8.040   4.913
  327   2HG   ARG  47          1HG       ARG  47   8.701  -8.636   3.661
  328   1HD   ARG  47          2HD       ARG  47   8.671 -10.391   5.165
  329   2HD   ARG  47          1HD       ARG  47  10.114  -9.502   5.653
  330    HE   ARG  47           HE       ARG  47   9.096  -9.021   7.646
  331   1HH1  ARG  47          1HH1      ARG  47   6.695 -10.110   5.375
  332   2HH1  ARG  47          2HH1      ARG  47   5.428 -10.192   6.553
  333   1HH2  ARG  47          1HH2      ARG  47   7.438  -9.122   9.208
  334   2HH2  ARG  47          2HH2      ARG  47   5.850  -9.627   8.734
  335    H    CYS  48           H        CYS  48   9.996  -4.219   2.147
  336    HA   CYS  48           HA       CYS  48  11.883  -3.020   1.624
  337   1HB   CYS  48          2HB       CYS  48  11.305  -2.678   4.515
  338   2HB   CYS  48          1HB       CYS  48  12.797  -1.971   3.898
  Start of MODEL   18
    1   1H    LYS   1          1HT       LYS   1  -7.665  12.505  -8.436
    2   2H    LYS   1          2HT       LYS   1  -9.214  12.120  -7.807
    3   3H    LYS   1          3HT       LYS   1  -8.550  11.191  -9.088
    4    HA   LYS   1           HA       LYS   1  -7.057  10.153  -7.769
    5   1HB   LYS   1          2HB       LYS   1  -6.054  12.093  -6.781
    6   2HB   LYS   1          1HB       LYS   1  -7.517  12.463  -5.879
    7   1HG   LYS   1          2HG       LYS   1  -7.200  10.570  -4.456
    8   2HG   LYS   1          1HG       LYS   1  -5.856   9.993  -5.444
    9   1HD   LYS   1          2HD       LYS   1  -4.410  11.280  -4.343
   10   2HD   LYS   1          1HD       LYS   1  -5.406  12.713  -4.602
   11   1HE   LYS   1          2HE       LYS   1  -6.663  12.306  -2.640
   12   2HE   LYS   1          1HE       LYS   1  -6.016  10.674  -2.476
   13   1HZ   LYS   1          1HZ       LYS   1  -4.096  11.426  -1.574
   14   2HZ   LYS   1          2HZ       LYS   1  -5.091  12.703  -1.083
   15   3HZ   LYS   1          3HZ       LYS   1  -4.102  12.878  -2.444
   16    HA   PRO   2           HA       PRO   2 -11.248   8.584  -6.460
   17   1HB   PRO   2          2HB       PRO   2  -9.765   6.108  -7.201
   18   2HB   PRO   2          1HB       PRO   2 -11.425   6.583  -7.581
   19   1HG   PRO   2          2HG       PRO   2  -9.521   6.704  -9.436
   20   2HG   PRO   2          1HG       PRO   2 -10.769   7.959  -9.331
   21   1HD   PRO   2          2HD       PRO   2  -7.911   8.048  -8.474
   22   2HD   PRO   2          1HD       PRO   2  -8.918   9.327  -9.181
   23    H    ASP   3           H        ASP   3 -11.371   6.226  -5.195
   24    HA   ASP   3           HA       ASP   3  -9.324   6.210  -3.103
   25   1HB   ASP   3          2HB       ASP   3 -12.246   6.748  -2.735
   26   2HB   ASP   3          1HB       ASP   3 -11.365   5.883  -1.480
   27    H    ALA   4           H        ALA   4  -8.810   4.206  -2.398
   28    HA   ALA   4           HA       ALA   4 -10.580   1.983  -3.172
   29   1HB   ALA   4          1HB       ALA   4  -8.032   0.918  -3.256
   30   2HB   ALA   4          2HB       ALA   4  -7.848   2.506  -4.001
   31   3HB   ALA   4          3HB       ALA   4  -9.026   1.362  -4.645
   32    HA   PRO   5           HA       PRO   5 -10.365   1.255   1.262
   33   1HB   PRO   5          2HB       PRO   5 -11.490  -1.342   0.334
   34   2HB   PRO   5          1HB       PRO   5 -12.062  -0.258   1.608
   35   1HG   PRO   5          2HG       PRO   5 -13.323  -0.379  -0.731
   36   2HG   PRO   5          1HG       PRO   5 -13.111   1.168   0.110
   37   1HD   PRO   5          2HD       PRO   5 -11.659   0.085  -2.265
   38   2HD   PRO   5          1HD       PRO   5 -12.145   1.754  -1.901
   39    H    CYS   6           H        CYS   6  -9.962  -1.231   2.317
   40    HA   CYS   6           HA       CYS   6  -7.336  -1.981   1.224
   41   1HB   CYS   6          2HB       CYS   6  -7.376  -2.830   3.880
   42   2HB   CYS   6          1HB       CYS   6  -6.496  -1.454   3.226
   43    H    ILE   7           H        ILE   7  -9.364  -3.279   0.102
   44    HA   ILE   7           HA       ILE   7  -8.966  -5.973   1.105
   45    HB   ILE   7           HB       ILE   7 -11.658  -4.685   0.826
   46   1HG1  ILE   7          2HG1      ILE   7 -10.229  -6.165   3.036
   47   2HG1  ILE   7          1HG1      ILE   7 -10.765  -4.488   3.033
   48   1HG2  ILE   7          1HG2      ILE   7 -12.078  -7.354   1.495
   49   2HG2  ILE   7          2HG2      ILE   7 -10.876  -7.408   0.206
   50   3HG2  ILE   7          3HG2      ILE   7 -12.418  -6.596  -0.060
   51   1HD1  ILE   7          1HD1      ILE   7 -12.098  -6.348   4.311
   52   2HD1  ILE   7          2HD1      ILE   7 -12.803  -6.624   2.718
   53   3HD1  ILE   7          3HD1      ILE   7 -12.932  -5.038   3.477
   54    H    CYS   8           H        CYS   8  -7.753  -6.235  -0.786
   55    HA   CYS   8           HA       CYS   8  -9.308  -6.284  -3.290
   56   1HB   CYS   8          2HB       CYS   8  -6.569  -5.460  -2.642
   57   2HB   CYS   8          1HB       CYS   8  -6.674  -6.535  -4.030
   58    H    THR   9           H        THR   9  -7.074  -7.973  -1.220
   59    HA   THR   9           HA       THR   9  -8.057 -10.537  -1.874
   60    HB   THR   9           HB       THR   9  -6.830 -10.373  -3.898
   61    HG1  THR   9           1HG      THR   9  -6.189 -12.302  -3.413
   62   1HG2  THR   9          1HG2      THR   9  -5.383  -8.438  -3.066
   63   2HG2  THR   9          2HG2      THR   9  -4.676  -9.585  -4.205
   64   3HG2  THR   9          3HG2      THR   9  -4.292  -9.697  -2.487
   65    H    MET  10           H        MET  10  -6.434 -12.251  -0.961
   66    HA   MET  10           HA       MET  10  -5.299 -11.139   1.509
   67   1HB   MET  10          2HB       MET  10  -6.855 -13.625   0.953
   68   2HB   MET  10          1HB       MET  10  -5.611 -13.695   2.190
   69   1HG   MET  10          2HG       MET  10  -6.687 -12.105   3.527
   70   2HG   MET  10          1HG       MET  10  -7.723 -11.572   2.204
   71   1HE   MET  10          1HE       MET  10 -10.657 -13.768   2.158
   72   2HE   MET  10          2HE       MET  10  -9.350 -14.124   1.029
   73   3HE   MET  10          3HE       MET  10  -9.707 -12.453   1.466
   74    H    GLN  11           H        GLN  11  -4.232 -11.696  -1.288
   75    HA   GLN  11           HA       GLN  11  -2.295 -13.787  -0.972
   76   1HB   GLN  11          2HB       GLN  11  -3.337 -12.426  -3.121
   77   2HB   GLN  11          1HB       GLN  11  -1.726 -11.735  -2.992
   78   1HG   GLN  11          2HG       GLN  11  -1.621 -14.595  -2.740
   79   2HG   GLN  11          1HG       GLN  11  -2.458 -14.128  -4.218
   80   1HE2  GLN  11          1HE2      GLN  11  -1.244 -12.044  -5.184
   81   2HE2  GLN  11          2HE2      GLN  11   0.441 -12.315  -5.450
   82    H    TYR  12           H        TYR  12  -1.875 -12.581   1.211
   83    HA   TYR  12           HA       TYR  12  -0.642 -10.456   1.942
   84   1HB   TYR  12          2HB       TYR  12  -0.613 -12.608   3.223
   85   2HB   TYR  12          1HB       TYR  12   0.834 -13.061   2.329
   86    HD1  TYR  12           1HD      TYR  12   2.783 -12.815   3.526
   87    HD2  TYR  12           2HD      TYR  12  -0.360 -10.020   4.158
   88    HE1  TYR  12           1HE      TYR  12   4.176 -11.630   5.171
   89    HE2  TYR  12           2HE      TYR  12   1.022  -8.827   5.804
   90    HH   TYR  12           HH       TYR  12   4.148  -9.001   6.048
   91    H    ASP  13           H        ASP  13   0.075  -9.302   0.075
   92    HA   ASP  13           HA       ASP  13   2.812 -10.017  -0.760
   93   1HB   ASP  13          2HB       ASP  13   0.532  -9.428  -2.336
   94   2HB   ASP  13          1HB       ASP  13   1.604  -8.037  -2.469
   95    HA   PRO  14           HA       PRO  14   2.681  -6.232   2.044
   96   1HB   PRO  14          2HB       PRO  14   5.115  -6.970   3.171
   97   2HB   PRO  14          1HB       PRO  14   3.520  -7.262   3.869
   98   1HG   PRO  14          2HG       PRO  14   5.257  -9.096   2.270
   99   2HG   PRO  14          1HG       PRO  14   4.238  -9.456   3.678
  100   1HD   PRO  14          2HD       PRO  14   3.446 -10.111   1.216
  101   2HD   PRO  14          1HD       PRO  14   2.283  -9.484   2.406
  102    H    VAL  15           H        VAL  15   3.045  -4.838   0.357
  103    HA   VAL  15           HA       VAL  15   5.731  -4.677  -0.781
  104    HB   VAL  15           HB       VAL  15   4.737  -3.170  -2.409
  105   1HG1  VAL  15          1HG1      VAL  15   4.443  -5.792  -2.421
  106   2HG1  VAL  15          2HG1      VAL  15   3.714  -4.777  -3.665
  107   3HG1  VAL  15          3HG1      VAL  15   2.736  -5.359  -2.317
  108   1HG2  VAL  15          1HG2      VAL  15   2.254  -3.465  -0.743
  109   2HG2  VAL  15          2HG2      VAL  15   2.251  -2.828  -2.388
  110   3HG2  VAL  15          3HG2      VAL  15   3.137  -1.985  -1.118
  111    H    CYS  16           H        CYS  16   7.097  -3.251  -0.141
  112    HA   CYS  16           HA       CYS  16   6.419  -1.357   1.889
  113   1HB   CYS  16          2HB       CYS  16   8.723  -2.710   1.045
  114   2HB   CYS  16          1HB       CYS  16   9.041  -1.004   0.817
  115    H    GLY  17           H        GLY  17   5.671   0.610   1.554
  116   1HA   GLY  17          2HA       GLY  17   6.080   1.740  -1.114
  117   2HA   GLY  17          1HA       GLY  17   4.725   2.109  -0.073
  118    H    SER  18           H        SER  18   6.694   3.745  -1.482
  119    HA   SER  18           HA       SER  18   8.610   4.940   0.046
  120   1HB   SER  18          2HB       SER  18   8.600   5.790  -2.091
  121   2HB   SER  18          1HB       SER  18   6.841   5.879  -2.159
  122    HG   SER  18           HG       SER  18   8.682   7.701  -1.111
  123    H    ASP  19           H        ASP  19   8.146   5.097   2.115
  124    HA   ASP  19           HA       ASP  19   7.198   7.398   3.228
  125   1HB   ASP  19          2HB       ASP  19   4.963   7.033   2.535
  126   2HB   ASP  19          1HB       ASP  19   5.033   5.318   2.929
  127    H    GLY  20           H        GLY  20   7.728   4.001   3.376
  128   1HA   GLY  20          2HA       GLY  20   9.220   3.059   4.972
  129   2HA   GLY  20          1HA       GLY  20   8.697   4.278   6.129
  130    H    ILE  21           H        ILE  21   6.503   2.467   4.063
  131    HA   ILE  21           HA       ILE  21   5.667   0.936   6.445
  132    HB   ILE  21           HB       ILE  21   3.852   2.443   4.577
  133   1HG1  ILE  21          2HG1      ILE  21   4.964   3.703   6.442
  134   2HG1  ILE  21          1HG1      ILE  21   3.205   3.690   6.525
  135   1HG2  ILE  21          1HG2      ILE  21   2.037   1.526   6.082
  136   2HG2  ILE  21          2HG2      ILE  21   3.232   0.364   6.656
  137   3HG2  ILE  21          3HG2      ILE  21   2.766   0.381   4.955
  138   1HD1  ILE  21          1HD1      ILE  21   3.916   3.329   8.714
  139   2HD1  ILE  21          2HD1      ILE  21   5.166   2.189   8.216
  140   3HD1  ILE  21          3HD1      ILE  21   3.467   1.728   8.126
  141    H    THR  22           H        THR  22   5.116  -1.130   6.149
  142    HA   THR  22           HA       THR  22   5.352  -2.210   3.438
  143    HB   THR  22           HB       THR  22   5.069  -3.993   5.809
  144    HG1  THR  22           1HG      THR  22   6.552  -2.297   6.424
  145   1HG2  THR  22          1HG2      THR  22   5.421  -4.868   3.511
  146   2HG2  THR  22          2HG2      THR  22   6.648  -5.366   4.675
  147   3HG2  THR  22          3HG2      THR  22   7.003  -4.089   3.512
  148    H    TYR  23           H        TYR  23   3.451  -2.044   2.457
  149    HA   TYR  23           HA       TYR  23   0.966  -2.497   3.857
  150   1HB   TYR  23          2HB       TYR  23   1.430  -1.958   0.927
  151   2HB   TYR  23          1HB       TYR  23  -0.058  -1.712   1.837
  152    HD1  TYR  23           1HD      TYR  23  -0.212   0.134   3.480
  153    HD2  TYR  23           2HD      TYR  23   3.230  -0.384   1.034
  154    HE1  TYR  23           1HE      TYR  23   0.533   2.408   4.048
  155    HE2  TYR  23           2HE      TYR  23   3.981   1.888   1.593
  156    HH   TYR  23           HH       TYR  23   3.391   3.840   2.549
  157    H    GLY  24           H        GLY  24   0.012  -4.388   4.049
  158   1HA   GLY  24          2HA       GLY  24   0.876  -6.829   3.279
  159   2HA   GLY  24          1HA       GLY  24  -0.832  -6.459   3.484
  160    H    ASN  25           H        ASN  25  -0.693  -4.489   1.291
  161    HA   ASN  25           HA       ASN  25   0.014  -5.900  -1.084
  162   1HB   ASN  25          2HB       ASN  25  -2.915  -5.706  -0.354
  163   2HB   ASN  25          1HB       ASN  25  -2.331  -6.074  -1.973
  164   1HD2  ASN  25          1HD2      ASN  25  -3.776  -7.516   0.391
  165   2HD2  ASN  25          2HD2      ASN  25  -3.010  -9.061   0.398
  166    H    ALA  26           H        ALA  26  -0.050  -4.592  -2.917
  167    HA   ALA  26           HA       ALA  26   0.238  -1.875  -2.656
  168   1HB   ALA  26          1HB       ALA  26   0.829  -2.156  -4.782
  169   2HB   ALA  26          2HB       ALA  26  -0.876  -2.270  -5.215
  170   3HB   ALA  26          3HB       ALA  26   0.033  -3.730  -4.827
  171    H    CYS  27           H        CYS  27  -2.646  -3.751  -2.822
  172    HA   CYS  27           HA       CYS  27  -4.427  -1.557  -3.350
  173   1HB   CYS  27          2HB       CYS  27  -4.660  -4.457  -2.938
  174   2HB   CYS  27          1HB       CYS  27  -5.995  -3.525  -2.272
  175    H    MET  28           H        MET  28  -3.615  -3.587  -0.537
  176    HA   MET  28           HA       MET  28  -5.107  -2.312   1.417
  177   1HB   MET  28          2HB       MET  28  -2.286  -3.388   1.483
  178   2HB   MET  28          1HB       MET  28  -3.117  -2.824   2.918
  179   1HG   MET  28          2HG       MET  28  -4.871  -4.614   1.686
  180   2HG   MET  28          1HG       MET  28  -3.278  -5.363   1.610
  181   1HE   MET  28          1HE       MET  28  -4.225  -7.406   4.469
  182   2HE   MET  28          2HE       MET  28  -2.581  -6.998   3.979
  183   3HE   MET  28          3HE       MET  28  -3.835  -7.218   2.759
  184    H    LEU  29           H        LEU  29  -2.190  -1.503  -0.240
  185    HA   LEU  29           HA       LEU  29  -1.335   0.791   1.062
  186   1HB   LEU  29          2HB       LEU  29  -0.808  -0.601  -1.328
  187   2HB   LEU  29          1HB       LEU  29  -1.128   1.051  -1.788
  188    HG   LEU  29           HG       LEU  29   1.060  -0.014  -0.048
  189   1HD1  LEU  29          1HD1      LEU  29   1.451   0.171  -2.445
  190   2HD1  LEU  29          2HD1      LEU  29   2.437   1.328  -1.548
  191   3HD1  LEU  29          3HD1      LEU  29   0.986   1.872  -2.393
  192   1HD2  LEU  29          1HD2      LEU  29   0.168   1.796   1.247
  193   2HD2  LEU  29          2HD2      LEU  29   0.022   2.810  -0.182
  194   3HD2  LEU  29          3HD2      LEU  29   1.614   2.376   0.431
  195    H    LEU  30           H        LEU  30  -3.434   0.419  -1.745
  196    HA   LEU  30           HA       LEU  30  -4.139   3.035  -2.148
  197   1HB   LEU  30          2HB       LEU  30  -5.516   0.424  -2.566
  198   2HB   LEU  30          1HB       LEU  30  -6.482   1.878  -2.705
  199    HG   LEU  30           HG       LEU  30  -3.962   1.378  -4.275
  200   1HD1  LEU  30          1HD1      LEU  30  -6.505   1.358  -5.711
  201   2HD1  LEU  30          2HD1      LEU  30  -6.311   0.011  -4.588
  202   3HD1  LEU  30          3HD1      LEU  30  -5.111   0.285  -5.851
  203   1HD2  LEU  30          1HD2      LEU  30  -5.232   3.176  -5.714
  204   2HD2  LEU  30          2HD2      LEU  30  -4.229   3.653  -4.345
  205   3HD2  LEU  30          3HD2      LEU  30  -5.981   3.565  -4.166
  206    H    CYS  31           H        CYS  31  -5.150   0.801   0.356
  207    HA   CYS  31           HA       CYS  31  -7.176   2.602   1.384
  208   1HB   CYS  31          2HB       CYS  31  -7.093   0.020   1.666
  209   2HB   CYS  31          1HB       CYS  31  -5.952   0.354   2.965
  210    H    ALA  32           H        ALA  32  -3.820   1.875   1.870
  211    HA   ALA  32           HA       ALA  32  -3.401   3.264   4.285
  212   1HB   ALA  32          1HB       ALA  32  -1.000   3.400   3.383
  213   2HB   ALA  32          2HB       ALA  32  -1.604   2.431   2.038
  214   3HB   ALA  32          3HB       ALA  32  -1.684   1.802   3.684
  215    H    SER  33           H        SER  33  -2.685   4.199   0.926
  216    HA   SER  33           HA       SER  33  -2.047   6.866   1.436
  217   1HB   SER  33          2HB       SER  33  -2.312   5.247  -0.830
  218   2HB   SER  33          1HB       SER  33  -3.465   6.557  -1.082
  219    HG   SER  33           HG       SER  33  -1.656   7.987  -0.525
  220    H    ALA  34           H        ALA  34  -5.113   5.259   1.318
  221    HA   ALA  34           HA       ALA  34  -6.708   7.595   0.931
  222   1HB   ALA  34          1HB       ALA  34  -7.563   5.455   0.266
  223   2HB   ALA  34          2HB       ALA  34  -8.594   6.115   1.534
  224   3HB   ALA  34          3HB       ALA  34  -7.431   4.845   1.915
  225    H    ARG  35           H        ARG  35  -5.540   5.873   3.785
  226    HA   ARG  35           HA       ARG  35  -6.728   8.015   5.418
  227   1HB   ARG  35          2HB       ARG  35  -6.562   5.808   7.114
  228   2HB   ARG  35          1HB       ARG  35  -8.020   6.523   6.448
  229   1HG   ARG  35          2HG       ARG  35  -8.413   4.487   5.634
  230   2HG   ARG  35          1HG       ARG  35  -7.217   4.891   4.406
  231   1HD   ARG  35          2HD       ARG  35  -7.003   3.111   6.766
  232   2HD   ARG  35          1HD       ARG  35  -6.346   2.915   5.143
  233    HE   ARG  35           HE       ARG  35  -4.837   4.895   6.014
  234   1HH1  ARG  35          1HH1      ARG  35  -5.828   1.987   7.663
  235   2HH1  ARG  35          2HH1      ARG  35  -4.410   1.913   8.652
  236   1HH2  ARG  35          1HH2      ARG  35  -2.966   4.802   7.314
  237   2HH2  ARG  35          2HH2      ARG  35  -2.784   3.512   8.456
  238    H    SER  36           H        SER  36  -3.976   7.641   4.352
  239    HA   SER  36           HA       SER  36  -2.438   7.117   6.767
  240   1HB   SER  36          2HB       SER  36  -1.650   6.149   4.669
  241   2HB   SER  36          1HB       SER  36  -1.533   7.750   3.949
  242    HG   SER  36           HG       SER  36   0.058   6.570   5.941
  243    H    ASP  37           H        ASP  37  -1.353   9.480   4.447
  244    HA   ASP  37           HA       ASP  37  -2.215  11.834   5.659
  245   1HB   ASP  37          2HB       ASP  37  -0.299  10.502   7.236
  246   2HB   ASP  37          1HB       ASP  37   0.554  11.837   6.466
  247    H    THR  38           H        THR  38   0.319  10.130   3.954
  248    HA   THR  38           HA       THR  38   0.501  12.363   2.066
  249    HB   THR  38           HB       THR  38   2.428  12.613   3.532
  250    HG1  THR  38           1HG      THR  38   3.202  13.147   1.642
  251   1HG2  THR  38          1HG2      THR  38   2.523   9.748   3.415
  252   2HG2  THR  38          2HG2      THR  38   3.371  10.861   4.489
  253   3HG2  THR  38          3HG2      THR  38   4.068  10.446   2.923
  254    HA   PRO  39           HA       PRO  39  -0.020   9.299  -1.047
  255   1HB   PRO  39          2HB       PRO  39   1.694  10.330  -2.966
  256   2HB   PRO  39          1HB       PRO  39   0.027  10.852  -2.709
  257   1HG   PRO  39          2HG       PRO  39   2.572  12.089  -1.750
  258   2HG   PRO  39          1HG       PRO  39   1.099  12.873  -2.354
  259   1HD   PRO  39          2HD       PRO  39   1.651  12.771   0.266
  260   2HD   PRO  39          1HD       PRO  39  -0.014  12.618  -0.334
  261    H    ILE  40           H        ILE  40   0.976   7.526   0.000
  262    HA   ILE  40           HA       ILE  40   3.825   7.178  -0.093
  263    HB   ILE  40           HB       ILE  40   3.504   5.177   1.081
  264   1HG1  ILE  40          2HG1      ILE  40   1.901   4.105  -0.400
  265   2HG1  ILE  40          1HG1      ILE  40   1.328   4.027   1.262
  266   1HG2  ILE  40          1HG2      ILE  40   1.176   6.893   1.917
  267   2HG2  ILE  40          2HG2      ILE  40   2.861   7.235   2.312
  268   3HG2  ILE  40          3HG2      ILE  40   2.091   5.772   2.925
  269   1HD1  ILE  40          1HD1      ILE  40   0.310   5.699  -0.997
  270   2HD1  ILE  40          2HD1      ILE  40  -0.033   6.114   0.682
  271   3HD1  ILE  40          3HD1      ILE  40  -0.561   4.563   0.031
  272    H    GLU  41           H        GLU  41   4.972   6.282  -1.666
  273    HA   GLU  41           HA       GLU  41   3.549   5.033  -3.915
  274   1HB   GLU  41          2HB       GLU  41   6.481   5.575  -3.968
  275   2HB   GLU  41          1HB       GLU  41   5.309   5.635  -5.277
  276   1HG   GLU  41          2HG       GLU  41   5.082   7.627  -3.085
  277   2HG   GLU  41          1HG       GLU  41   6.369   7.820  -4.275
  278    H    LEU  42           H        LEU  42   5.843   3.627  -4.869
  279    HA   LEU  42           HA       LEU  42   6.040   1.500  -2.843
  280   1HB   LEU  42          2HB       LEU  42   5.126   1.351  -5.570
  281   2HB   LEU  42          1HB       LEU  42   6.487   0.291  -5.299
  282    HG   LEU  42           HG       LEU  42   4.205  -0.745  -4.972
  283   1HD1  LEU  42          1HD1      LEU  42   6.591  -0.970  -3.404
  284   2HD1  LEU  42          2HD1      LEU  42   5.464  -2.225  -3.920
  285   3HD1  LEU  42          3HD1      LEU  42   5.176  -1.344  -2.421
  286   1HD2  LEU  42          1HD2      LEU  42   3.690  -0.101  -2.343
  287   2HD2  LEU  42          2HD2      LEU  42   2.770   0.441  -3.748
  288   3HD2  LEU  42          3HD2      LEU  42   4.051   1.456  -3.086
  289    H    VAL  43           H        VAL  43   7.979   0.349  -2.717
  290    HA   VAL  43           HA       VAL  43  10.219   1.424  -4.285
  291    HB   VAL  43           HB       VAL  43  10.604   0.973  -1.352
  292   1HG1  VAL  43          1HG1      VAL  43  12.006   2.700  -3.392
  293   2HG1  VAL  43          2HG1      VAL  43  12.578   1.152  -2.770
  294   3HG1  VAL  43          3HG1      VAL  43  12.457   2.545  -1.695
  295   1HG2  VAL  43          1HG2      VAL  43  10.089   3.204  -0.814
  296   2HG2  VAL  43          2HG2      VAL  43   8.725   2.620  -1.766
  297   3HG2  VAL  43          3HG2      VAL  43   9.939   3.662  -2.510
  298    H    HIS  44           H        HIS  44   8.993  -1.117  -2.175
  299    HA   HIS  44           HA       HIS  44  10.489  -3.075  -3.652
  300   1HB   HIS  44          2HB       HIS  44  11.095  -3.773  -0.989
  301   2HB   HIS  44          1HB       HIS  44  12.220  -3.300  -2.259
  302    HD1  HIS  44           1HD      HIS  44  12.939  -0.767  -2.305
  303    HD2  HIS  44           2HD      HIS  44  10.692  -1.909   0.997
  304    HE1  HIS  44           1HE      HIS  44  13.174   1.114  -0.651
  305    HE2  HIS  44           2HE      HIS  44  11.714   0.454   1.286
  306    H    LYS  45           H        LYS  45   9.175  -4.728  -3.957
  307    HA   LYS  45           HA       LYS  45   6.719  -4.974  -2.543
  308   1HB   LYS  45          2HB       LYS  45   6.284  -6.869  -3.962
  309   2HB   LYS  45          1HB       LYS  45   7.031  -5.605  -4.929
  310   1HG   LYS  45          2HG       LYS  45   9.236  -6.872  -4.401
  311   2HG   LYS  45          1HG       LYS  45   8.157  -8.218  -4.035
  312   1HD   LYS  45          2HD       LYS  45   8.327  -6.698  -6.635
  313   2HD   LYS  45          1HD       LYS  45   8.876  -8.348  -6.341
  314   1HE   LYS  45          2HE       LYS  45   6.835  -9.173  -6.672
  315   2HE   LYS  45          1HE       LYS  45   6.113  -8.003  -5.569
  316   1HZ   LYS  45          1HZ       LYS  45   5.176  -7.155  -7.387
  317   2HZ   LYS  45          2HZ       LYS  45   6.204  -7.993  -8.436
  318   3HZ   LYS  45          3HZ       LYS  45   6.699  -6.521  -7.766
  319    H    GLY  46           H        GLY  46   8.001  -5.063  -0.413
  320   1HA   GLY  46          2HA       GLY  46   7.662  -7.607   0.726
  321   2HA   GLY  46          1HA       GLY  46   9.374  -7.365   0.396
  322    H    ARG  47           H        ARG  47   9.576  -7.513   2.768
  323    HA   ARG  47           HA       ARG  47   8.545  -5.237   4.244
  324   1HB   ARG  47          2HB       ARG  47  10.491  -7.087   5.514
  325   2HB   ARG  47          1HB       ARG  47   9.007  -6.399   6.160
  326   1HG   ARG  47          2HG       ARG  47   7.775  -7.975   4.594
  327   2HG   ARG  47          1HG       ARG  47   9.328  -8.780   4.364
  328   1HD   ARG  47          2HD       ARG  47   9.469  -9.058   6.837
  329   2HD   ARG  47          1HD       ARG  47   7.832  -8.413   6.954
  330    HE   ARG  47           HE       ARG  47   7.455 -10.423   5.260
  331   1HH1  ARG  47          1HH1      ARG  47   9.266 -10.294   8.232
  332   2HH1  ARG  47          2HH1      ARG  47   8.995 -11.959   8.622
  333   1HH2  ARG  47          1HH2      ARG  47   7.093 -12.617   5.764
  334   2HH2  ARG  47          2HH2      ARG  47   7.761 -13.281   7.217
  335    H    CYS  48           H        CYS  48   9.956  -4.073   2.466
  336    HA   CYS  48           HA       CYS  48  11.868  -2.918   1.921
  337   1HB   CYS  48          2HB       CYS  48  11.224  -2.401   4.782
  338   2HB   CYS  48          1HB       CYS  48  12.652  -1.650   4.083
  Start of MODEL   19
    1   1H    LYS   1          1HT       LYS   1  -6.989  11.303  -9.709
    2   2H    LYS   1          2HT       LYS   1  -7.464  12.693  -8.821
    3   3H    LYS   1          3HT       LYS   1  -8.511  11.337  -8.920
    4    HA   LYS   1           HA       LYS   1  -6.189  10.331  -7.959
    5   1HB   LYS   1          2HB       LYS   1  -6.795  13.087  -6.911
    6   2HB   LYS   1          1HB       LYS   1  -5.987  11.893  -5.907
    7   1HG   LYS   1          2HG       LYS   1  -4.397  11.700  -7.991
    8   2HG   LYS   1          1HG       LYS   1  -5.004  13.323  -8.317
    9   1HD   LYS   1          2HD       LYS   1  -3.219  13.859  -7.001
   10   2HD   LYS   1          1HD       LYS   1  -4.440  13.643  -5.744
   11   1HE   LYS   1          2HE       LYS   1  -3.518  11.100  -6.049
   12   2HE   LYS   1          1HE       LYS   1  -2.060  12.042  -6.366
   13   1HZ   LYS   1          1HZ       LYS   1  -3.509  12.991  -4.089
   14   2HZ   LYS   1          2HZ       LYS   1  -1.876  12.570  -4.228
   15   3HZ   LYS   1          3HZ       LYS   1  -3.032  11.376  -3.913
   16    HA   PRO   2           HA       PRO   2 -10.337   9.260  -6.105
   17   1HB   PRO   2          2HB       PRO   2 -10.344   6.666  -6.859
   18   2HB   PRO   2          1HB       PRO   2 -10.913   7.960  -7.918
   19   1HG   PRO   2          2HG       PRO   2  -8.267   6.559  -7.896
   20   2HG   PRO   2          1HG       PRO   2  -9.289   6.996  -9.278
   21   1HD   PRO   2          2HD       PRO   2  -7.128   8.458  -8.529
   22   2HD   PRO   2          1HD       PRO   2  -8.563   9.181  -9.286
   23    H    ASP   3           H        ASP   3 -10.716   7.045  -4.791
   24    HA   ASP   3           HA       ASP   3  -8.287   6.391  -3.284
   25   1HB   ASP   3          2HB       ASP   3 -10.495   7.970  -2.318
   26   2HB   ASP   3          1HB       ASP   3 -10.386   6.471  -1.399
   27    H    ALA   4           H        ALA   4  -8.482   4.412  -2.010
   28    HA   ALA   4           HA       ALA   4 -10.711   2.669  -2.764
   29   1HB   ALA   4          1HB       ALA   4  -9.518   1.450  -4.180
   30   2HB   ALA   4          2HB       ALA   4  -8.328   1.122  -2.919
   31   3HB   ALA   4          3HB       ALA   4  -8.149   2.537  -3.956
   32    HA   PRO   5           HA       PRO   5 -10.340   1.250   1.403
   33   1HB   PRO   5          2HB       PRO   5 -11.507  -1.178   1.202
   34   2HB   PRO   5          1HB       PRO   5 -12.428   0.325   1.077
   35   1HG   PRO   5          2HG       PRO   5 -11.432  -1.473  -1.096
   36   2HG   PRO   5          1HG       PRO   5 -13.004  -0.667  -0.942
   37   1HD   PRO   5          2HD       PRO   5 -10.992   0.271  -2.522
   38   2HD   PRO   5          1HD       PRO   5 -12.202   1.323  -1.760
   39    H    CYS   6           H        CYS   6  -9.992  -1.291   2.337
   40    HA   CYS   6           HA       CYS   6  -7.366  -2.056   1.252
   41   1HB   CYS   6          2HB       CYS   6  -7.405  -2.947   3.884
   42   2HB   CYS   6          1HB       CYS   6  -6.527  -1.554   3.268
   43    H    ILE   7           H        ILE   7  -9.449  -3.263   0.116
   44    HA   ILE   7           HA       ILE   7  -9.148  -5.995   1.068
   45    HB   ILE   7           HB       ILE   7 -11.782  -4.593   0.781
   46   1HG1  ILE   7          2HG1      ILE   7 -10.571  -4.698   2.998
   47   2HG1  ILE   7          1HG1      ILE   7 -12.198  -5.373   3.001
   48   1HG2  ILE   7          1HG2      ILE   7 -12.568  -6.433  -0.238
   49   2HG2  ILE   7          2HG2      ILE   7 -12.388  -7.229   1.325
   50   3HG2  ILE   7          3HG2      ILE   7 -11.107  -7.353   0.120
   51   1HD1  ILE   7          1HD1      ILE   7 -11.382  -7.246   3.835
   52   2HD1  ILE   7          2HD1      ILE   7  -9.743  -6.602   3.737
   53   3HD1  ILE   7          3HD1      ILE   7 -10.432  -7.474   2.367
   54    H    CYS   8           H        CYS   8  -7.842  -6.062  -0.850
   55    HA   CYS   8           HA       CYS   8  -9.337  -6.030  -3.379
   56   1HB   CYS   8          2HB       CYS   8  -6.613  -5.362  -2.602
   57   2HB   CYS   8          1HB       CYS   8  -6.665  -6.465  -3.970
   58    H    THR   9           H        THR   9  -7.303  -7.946  -1.303
   59    HA   THR   9           HA       THR   9  -8.452 -10.409  -2.064
   60    HB   THR   9           HB       THR   9  -7.113 -10.155  -4.072
   61    HG1  THR   9           1HG      THR   9  -7.039 -12.229  -3.595
   62   1HG2  THR   9          1HG2      THR   9  -4.538 -10.313  -3.661
   63   2HG2  THR   9          2HG2      THR   9  -4.948  -9.450  -2.178
   64   3HG2  THR   9          3HG2      THR   9  -5.354  -8.752  -3.745
   65    H    MET  10           H        MET  10  -6.342 -12.086  -1.479
   66    HA   MET  10           HA       MET  10  -5.480 -11.228   1.190
   67   1HB   MET  10          2HB       MET  10  -7.150 -13.523   0.468
   68   2HB   MET  10          1HB       MET  10  -5.733 -13.981   1.401
   69   1HG   MET  10          2HG       MET  10  -7.677 -11.844   2.238
   70   2HG   MET  10          1HG       MET  10  -7.778 -13.528   2.749
   71   1HE   MET  10          1HE       MET  10  -6.729 -10.945   5.509
   72   2HE   MET  10          2HE       MET  10  -7.159 -12.625   5.831
   73   3HE   MET  10          3HE       MET  10  -8.068 -11.695   4.640
   74    H    GLN  11           H        GLN  11  -4.357 -11.530  -1.634
   75    HA   GLN  11           HA       GLN  11  -2.367 -13.573  -1.485
   76   1HB   GLN  11          2HB       GLN  11  -2.680 -11.139  -3.246
   77   2HB   GLN  11          1HB       GLN  11  -1.332 -12.256  -3.400
   78   1HG   GLN  11          2HG       GLN  11  -3.718 -13.779  -3.386
   79   2HG   GLN  11          1HG       GLN  11  -3.928 -12.442  -4.517
   80   1HE2  GLN  11          1HE2      GLN  11  -2.650 -15.506  -4.060
   81   2HE2  GLN  11          2HE2      GLN  11  -1.679 -15.597  -5.486
   82    H    TYR  12           H        TYR  12  -2.043 -12.629   0.857
   83    HA   TYR  12           HA       TYR  12  -0.845 -10.504   1.764
   84   1HB   TYR  12          2HB       TYR  12  -0.917 -12.991   2.716
   85   2HB   TYR  12          1HB       TYR  12   0.793 -12.925   2.301
   86    HD1  TYR  12           1HD      TYR  12   0.615  -9.734   2.878
   87    HD2  TYR  12           2HD      TYR  12  -0.139 -13.290   5.089
   88    HE1  TYR  12           1HE      TYR  12   1.076  -8.523   4.968
   89    HE2  TYR  12           2HE      TYR  12   0.319 -12.089   7.186
   90    HH   TYR  12           HH       TYR  12   0.156  -9.359   7.818
   91    H    ASP  13           H        ASP  13   0.094  -9.267   0.134
   92    HA   ASP  13           HA       ASP  13   2.845 -10.063  -0.556
   93   1HB   ASP  13          2HB       ASP  13   0.705  -9.445  -2.307
   94   2HB   ASP  13          1HB       ASP  13   1.827  -8.088  -2.376
   95    HA   PRO  14           HA       PRO  14   2.753  -6.281   2.190
   96   1HB   PRO  14          2HB       PRO  14   5.192  -6.987   3.305
   97   2HB   PRO  14          1HB       PRO  14   3.606  -7.341   3.996
   98   1HG   PRO  14          2HG       PRO  14   5.397  -9.091   2.364
   99   2HG   PRO  14          1HG       PRO  14   4.396  -9.507   3.768
  100   1HD   PRO  14          2HD       PRO  14   3.622 -10.135   1.286
  101   2HD   PRO  14          1HD       PRO  14   2.444  -9.596   2.503
  102    H    VAL  15           H        VAL  15   3.096  -4.882   0.473
  103    HA   VAL  15           HA       VAL  15   5.769  -4.700  -0.694
  104    HB   VAL  15           HB       VAL  15   4.801  -3.322  -2.357
  105   1HG1  VAL  15          1HG1      VAL  15   2.414  -4.916  -2.323
  106   2HG1  VAL  15          2HG1      VAL  15   3.812  -5.883  -1.853
  107   3HG1  VAL  15          3HG1      VAL  15   3.813  -5.021  -3.392
  108   1HG2  VAL  15          1HG2      VAL  15   3.492  -1.776  -1.207
  109   2HG2  VAL  15          2HG2      VAL  15   2.524  -3.035  -0.439
  110   3HG2  VAL  15          3HG2      VAL  15   2.320  -2.689  -2.156
  111    H    CYS  16           H        CYS  16   7.151  -3.281  -0.070
  112    HA   CYS  16           HA       CYS  16   6.525  -1.427   2.015
  113   1HB   CYS  16          2HB       CYS  16   8.807  -2.741   1.054
  114   2HB   CYS  16          1HB       CYS  16   9.100  -1.028   0.853
  115    H    GLY  17           H        GLY  17   5.710   0.534   1.693
  116   1HA   GLY  17          2HA       GLY  17   6.074   1.736  -0.954
  117   2HA   GLY  17          1HA       GLY  17   4.755   2.097   0.140
  118    H    SER  18           H        SER  18   6.773   3.721  -1.275
  119    HA   SER  18           HA       SER  18   8.710   4.799   0.332
  120   1HB   SER  18          2HB       SER  18   8.531   5.417  -2.013
  121   2HB   SER  18          1HB       SER  18   6.986   6.209  -1.718
  122    HG   SER  18           HG       SER  18   9.468   7.194  -1.441
  123    H    ASP  19           H        ASP  19   8.218   4.991   2.351
  124    HA   ASP  19           HA       ASP  19   7.281   7.329   3.442
  125   1HB   ASP  19          2HB       ASP  19   5.055   6.513   2.545
  126   2HB   ASP  19          1HB       ASP  19   5.168   5.175   3.684
  127    H    GLY  20           H        GLY  20   7.775   3.916   3.616
  128   1HA   GLY  20          2HA       GLY  20   9.391   3.046   5.169
  129   2HA   GLY  20          1HA       GLY  20   8.809   4.215   6.350
  130    H    ILE  21           H        ILE  21   6.654   2.345   4.278
  131    HA   ILE  21           HA       ILE  21   6.018   0.671   6.617
  132    HB   ILE  21           HB       ILE  21   3.989   2.181   4.984
  133   1HG1  ILE  21          2HG1      ILE  21   5.302   3.483   6.699
  134   2HG1  ILE  21          1HG1      ILE  21   3.561   3.459   6.964
  135   1HG2  ILE  21          1HG2      ILE  21   2.595   0.535   5.544
  136   2HG2  ILE  21          2HG2      ILE  21   2.731   1.112   7.205
  137   3HG2  ILE  21          3HG2      ILE  21   3.773  -0.192   6.637
  138   1HD1  ILE  21          1HD1      ILE  21   3.763   2.419   8.929
  139   2HD1  ILE  21          2HD1      ILE  21   5.445   2.942   8.850
  140   3HD1  ILE  21          3HD1      ILE  21   5.004   1.316   8.331
  141    H    THR  22           H        THR  22   5.367  -1.367   6.235
  142    HA   THR  22           HA       THR  22   5.466  -2.296   3.456
  143    HB   THR  22           HB       THR  22   5.416  -4.048   5.907
  144    HG1  THR  22           1HG      THR  22   7.166  -2.769   6.256
  145   1HG2  THR  22          1HG2      THR  22   5.121  -5.142   3.720
  146   2HG2  THR  22          2HG2      THR  22   6.598  -5.635   4.546
  147   3HG2  THR  22          3HG2      THR  22   6.675  -4.485   3.212
  148    H    TYR  23           H        TYR  23   3.504  -2.097   2.585
  149    HA   TYR  23           HA       TYR  23   1.104  -2.610   4.098
  150   1HB   TYR  23          2HB       TYR  23   1.424  -1.966   1.170
  151   2HB   TYR  23          1HB       TYR  23  -0.024  -1.764   2.154
  152    HD1  TYR  23           1HD      TYR  23   0.024  -0.069   4.041
  153    HD2  TYR  23           2HD      TYR  23   3.103  -0.319   1.115
  154    HE1  TYR  23           1HE      TYR  23   0.822   2.166   4.687
  155    HE2  TYR  23           2HE      TYR  23   3.901   1.915   1.750
  156    HH   TYR  23           HH       TYR  23   3.759   3.545   3.322
  157    H    GLY  24           H        GLY  24   0.087  -4.470   4.230
  158   1HA   GLY  24          2HA       GLY  24   0.919  -6.905   3.401
  159   2HA   GLY  24          1HA       GLY  24  -0.780  -6.522   3.639
  160    H    ASN  25           H        ASN  25  -0.622  -4.501   1.472
  161    HA   ASN  25           HA       ASN  25   0.026  -5.895  -0.924
  162   1HB   ASN  25          2HB       ASN  25  -2.881  -5.682  -0.133
  163   2HB   ASN  25          1HB       ASN  25  -2.355  -5.961  -1.789
  164   1HD2  ASN  25          1HD2      ASN  25  -3.814  -7.553   0.409
  165   2HD2  ASN  25          2HD2      ASN  25  -3.037  -9.091   0.351
  166    H    ALA  26           H        ALA  26  -0.044  -4.600  -2.752
  167    HA   ALA  26           HA       ALA  26   0.299  -1.881  -2.481
  168   1HB   ALA  26          1HB       ALA  26  -0.548  -3.550  -4.832
  169   2HB   ALA  26          2HB       ALA  26   1.028  -2.833  -4.498
  170   3HB   ALA  26          3HB       ALA  26  -0.328  -1.806  -4.966
  171    H    CYS  27           H        CYS  27  -2.598  -3.741  -2.679
  172    HA   CYS  27           HA       CYS  27  -4.357  -1.528  -3.176
  173   1HB   CYS  27          2HB       CYS  27  -4.619  -4.443  -2.792
  174   2HB   CYS  27          1HB       CYS  27  -5.982  -3.486  -2.226
  175    H    MET  28           H        MET  28  -3.515  -3.597  -0.404
  176    HA   MET  28           HA       MET  28  -5.043  -2.383   1.570
  177   1HB   MET  28          2HB       MET  28  -2.183  -3.371   1.670
  178   2HB   MET  28          1HB       MET  28  -3.113  -2.934   3.089
  179   1HG   MET  28          2HG       MET  28  -4.634  -4.769   1.547
  180   2HG   MET  28          1HG       MET  28  -3.009  -5.416   1.768
  181   1HE   MET  28          1HE       MET  28  -2.632  -6.728   4.850
  182   2HE   MET  28          2HE       MET  28  -2.681  -6.925   3.097
  183   3HE   MET  28          3HE       MET  28  -3.978  -7.583   4.095
  184    H    LEU  29           H        LEU  29  -2.122  -1.529  -0.044
  185    HA   LEU  29           HA       LEU  29  -1.296   0.767   1.276
  186   1HB   LEU  29          2HB       LEU  29  -0.746  -0.617  -1.124
  187   2HB   LEU  29          1HB       LEU  29  -1.046   1.043  -1.568
  188    HG   LEU  29           HG       LEU  29   1.142  -0.090   0.111
  189   1HD1  LEU  29          1HD1      LEU  29   1.147   2.135  -1.914
  190   2HD1  LEU  29          2HD1      LEU  29   1.356   0.436  -2.342
  191   3HD1  LEU  29          3HD1      LEU  29   2.529   1.233  -1.291
  192   1HD2  LEU  29          1HD2      LEU  29  -0.107   2.617   0.360
  193   2HD2  LEU  29          2HD2      LEU  29   1.605   2.379   0.693
  194   3HD2  LEU  29          3HD2      LEU  29   0.394   1.510   1.631
  195    H    LEU  30           H        LEU  30  -3.402   0.364  -1.527
  196    HA   LEU  30           HA       LEU  30  -4.117   2.982  -1.950
  197   1HB   LEU  30          2HB       LEU  30  -5.519   0.376  -2.339
  198   2HB   LEU  30          1HB       LEU  30  -6.455   1.843  -2.509
  199    HG   LEU  30           HG       LEU  30  -3.985   1.135  -4.086
  200   1HD1  LEU  30          1HD1      LEU  30  -5.455   0.834  -5.956
  201   2HD1  LEU  30          2HD1      LEU  30  -6.851   1.321  -4.995
  202   3HD1  LEU  30          3HD1      LEU  30  -6.013  -0.187  -4.632
  203   1HD2  LEU  30          1HD2      LEU  30  -3.855   3.259  -4.702
  204   2HD2  LEU  30          2HD2      LEU  30  -5.122   3.655  -3.541
  205   3HD2  LEU  30          3HD2      LEU  30  -5.544   3.251  -5.205
  206    H    CYS  31           H        CYS  31  -5.116   0.737   0.553
  207    HA   CYS  31           HA       CYS  31  -7.169   2.477   1.600
  208   1HB   CYS  31          2HB       CYS  31  -7.115  -0.025   1.947
  209   2HB   CYS  31          1HB       CYS  31  -5.763   0.224   3.047
  210    H    ALA  32           H        ALA  32  -3.767   1.918   2.070
  211    HA   ALA  32           HA       ALA  32  -3.416   3.394   4.455
  212   1HB   ALA  32          1HB       ALA  32  -1.185   3.418   2.547
  213   2HB   ALA  32          2HB       ALA  32  -1.805   1.814   2.940
  214   3HB   ALA  32          3HB       ALA  32  -1.234   2.880   4.226
  215    H    SER  33           H        SER  33  -2.743   4.239   1.063
  216    HA   SER  33           HA       SER  33  -2.188   6.942   1.463
  217   1HB   SER  33          2HB       SER  33  -2.708   5.193  -0.780
  218   2HB   SER  33          1HB       SER  33  -3.507   6.746  -1.025
  219    HG   SER  33           HG       SER  33  -1.119   6.366  -1.618
  220    H    ALA  34           H        ALA  34  -5.168   5.217   1.540
  221    HA   ALA  34           HA       ALA  34  -6.830   7.556   1.162
  222   1HB   ALA  34          1HB       ALA  34  -7.986   5.038   2.205
  223   2HB   ALA  34          2HB       ALA  34  -7.266   4.993   0.596
  224   3HB   ALA  34          3HB       ALA  34  -8.573   6.124   0.945
  225    H    ARG  35           H        ARG  35  -5.301   6.008   3.830
  226    HA   ARG  35           HA       ARG  35  -6.888   7.690   5.655
  227   1HB   ARG  35          2HB       ARG  35  -7.261   5.986   7.177
  228   2HB   ARG  35          1HB       ARG  35  -7.428   5.140   5.645
  229   1HG   ARG  35          2HG       ARG  35  -4.973   4.521   5.900
  230   2HG   ARG  35          1HG       ARG  35  -5.126   5.075   7.567
  231   1HD   ARG  35          2HD       ARG  35  -6.940   3.011   6.339
  232   2HD   ARG  35          1HD       ARG  35  -5.452   2.602   7.191
  233    HE   ARG  35           HE       ARG  35  -6.678   4.069   9.028
  234   1HH1  ARG  35          1HH1      ARG  35  -7.928   1.552   6.970
  235   2HH1  ARG  35          2HH1      ARG  35  -9.130   1.041   8.106
  236   1HH2  ARG  35          1HH2      ARG  35  -8.262   3.410  10.529
  237   2HH2  ARG  35          2HH2      ARG  35  -9.325   2.102  10.128
  238    H    SER  36           H        SER  36  -4.073   7.701   4.397
  239    HA   SER  36           HA       SER  36  -2.491   7.735   6.854
  240   1HB   SER  36          2HB       SER  36  -1.648   6.430   4.937
  241   2HB   SER  36          1HB       SER  36  -1.569   7.898   3.976
  242    HG   SER  36           HG       SER  36   0.014   7.100   6.147
  243    H    ASP  37           H        ASP  37  -1.533   9.674   4.129
  244    HA   ASP  37           HA       ASP  37  -2.680  12.119   4.792
  245   1HB   ASP  37          2HB       ASP  37  -1.474  11.894   6.916
  246   2HB   ASP  37          1HB       ASP  37   0.043  11.691   6.044
  247    H    THR  38           H        THR  38   0.086  10.368   3.567
  248    HA   THR  38           HA       THR  38   0.305  12.341   1.392
  249    HB   THR  38           HB       THR  38   2.271  12.682   2.650
  250    HG1  THR  38           1HG      THR  38   3.605  12.379   1.061
  251   1HG2  THR  38          1HG2      THR  38   2.975   9.779   2.681
  252   2HG2  THR  38          2HG2      THR  38   1.995  10.493   3.963
  253   3HG2  THR  38          3HG2      THR  38   3.624  11.097   3.656
  254    HA   PRO  39           HA       PRO  39  -0.305   8.937  -1.335
  255   1HB   PRO  39          2HB       PRO  39   1.010   9.823  -3.539
  256   2HB   PRO  39          1HB       PRO  39  -0.545  10.481  -3.020
  257   1HG   PRO  39          2HG       PRO  39   2.210  11.574  -2.605
  258   2HG   PRO  39          1HG       PRO  39   0.721  12.429  -3.048
  259   1HD   PRO  39          2HD       PRO  39   1.709  12.410  -0.522
  260   2HD   PRO  39          1HD       PRO  39  -0.028  12.511  -0.874
  261    H    ILE  40           H        ILE  40   0.993   7.429  -0.101
  262    HA   ILE  40           HA       ILE  40   3.725   7.135  -0.129
  263    HB   ILE  40           HB       ILE  40   3.301   4.687   0.134
  264   1HG1  ILE  40          2HG1      ILE  40   0.950   5.304  -1.240
  265   2HG1  ILE  40          1HG1      ILE  40   1.376   3.755  -0.531
  266   1HG2  ILE  40          1HG2      ILE  40   3.300   6.208   2.048
  267   2HG2  ILE  40          2HG2      ILE  40   2.153   4.890   2.273
  268   3HG2  ILE  40          3HG2      ILE  40   1.576   6.494   1.821
  269   1HD1  ILE  40          1HD1      ILE  40   0.268   4.447   1.557
  270   2HD1  ILE  40          2HD1      ILE  40  -0.826   4.406   0.175
  271   3HD1  ILE  40          3HD1      ILE  40  -0.215   5.949   0.769
  272    H    GLU  41           H        GLU  41   5.192   5.971  -1.432
  273    HA   GLU  41           HA       GLU  41   4.185   5.239  -4.105
  274   1HB   GLU  41          2HB       GLU  41   6.362   7.140  -3.398
  275   2HB   GLU  41          1HB       GLU  41   6.597   6.118  -4.810
  276   1HG   GLU  41          2HG       GLU  41   4.486   6.945  -5.743
  277   2HG   GLU  41          1HG       GLU  41   4.293   7.994  -4.340
  278    H    LEU  42           H        LEU  42   4.345   3.077  -4.007
  279    HA   LEU  42           HA       LEU  42   5.769   1.353  -2.643
  280   1HB   LEU  42          2HB       LEU  42   4.790   1.327  -5.338
  281   2HB   LEU  42          1HB       LEU  42   6.248   0.378  -5.201
  282    HG   LEU  42           HG       LEU  42   4.148  -0.934  -4.890
  283   1HD1  LEU  42          1HD1      LEU  42   5.202  -1.408  -2.302
  284   2HD1  LEU  42          2HD1      LEU  42   6.536  -0.973  -3.370
  285   3HD1  LEU  42          3HD1      LEU  42   5.475  -2.317  -3.789
  286   1HD2  LEU  42          1HD2      LEU  42   3.940   0.773  -2.418
  287   2HD2  LEU  42          2HD2      LEU  42   3.016  -0.703  -2.696
  288   3HD2  LEU  42          3HD2      LEU  42   2.792   0.689  -3.754
  289    H    VAL  43           H        VAL  43   7.761   0.397  -2.546
  290    HA   VAL  43           HA       VAL  43   9.928   1.700  -4.032
  291    HB   VAL  43           HB       VAL  43  11.226   1.251  -1.787
  292   1HG1  VAL  43          1HG1      VAL  43  11.189   3.408  -2.761
  293   2HG1  VAL  43          2HG1      VAL  43  10.660   3.606  -1.089
  294   3HG1  VAL  43          3HG1      VAL  43   9.476   3.614  -2.396
  295   1HG2  VAL  43          1HG2      VAL  43   8.394   1.651  -0.862
  296   2HG2  VAL  43          2HG2      VAL  43   9.815   1.815   0.169
  297   3HG2  VAL  43          3HG2      VAL  43   9.426   0.255  -0.557
  298    H    HIS  44           H        HIS  44   9.030  -1.042  -1.966
  299    HA   HIS  44           HA       HIS  44  10.417  -2.842  -3.747
  300   1HB   HIS  44          2HB       HIS  44  11.191  -3.721  -1.177
  301   2HB   HIS  44          1HB       HIS  44  12.228  -3.152  -2.480
  302    HD1  HIS  44           1HD      HIS  44  13.102  -0.729  -2.327
  303    HD2  HIS  44           2HD      HIS  44  10.750  -1.897   0.892
  304    HE1  HIS  44           1HE      HIS  44  13.417   1.052  -0.585
  305    HE2  HIS  44           2HE      HIS  44  11.855   0.417   1.275
  306    H    LYS  45           H        LYS  45   9.167  -4.534  -4.075
  307    HA   LYS  45           HA       LYS  45   6.775  -4.944  -2.599
  308   1HB   LYS  45          2HB       LYS  45   7.890  -7.062  -4.390
  309   2HB   LYS  45          1HB       LYS  45   6.226  -6.533  -4.189
  310   1HG   LYS  45          2HG       LYS  45   7.473  -4.297  -5.198
  311   2HG   LYS  45          1HG       LYS  45   8.258  -5.627  -6.054
  312   1HD   LYS  45          2HD       LYS  45   6.016  -6.508  -6.645
  313   2HD   LYS  45          1HD       LYS  45   5.293  -5.090  -5.880
  314   1HE   LYS  45          2HE       LYS  45   6.446  -3.636  -7.457
  315   2HE   LYS  45          1HE       LYS  45   7.220  -5.035  -8.202
  316   1HZ   LYS  45          1HZ       LYS  45   4.557  -3.997  -8.565
  317   2HZ   LYS  45          2HZ       LYS  45   4.599  -5.670  -8.321
  318   3HZ   LYS  45          3HZ       LYS  45   5.484  -4.978  -9.584
  319    H    GLY  46           H        GLY  46   8.032  -5.099  -0.488
  320   1HA   GLY  46          2HA       GLY  46   7.849  -7.701   0.520
  321   2HA   GLY  46          1HA       GLY  46   9.543  -7.378   0.165
  322    H    ARG  47           H        ARG  47   9.908  -7.579   2.476
  323    HA   ARG  47           HA       ARG  47   8.805  -5.419   4.098
  324   1HB   ARG  47          2HB       ARG  47  10.833  -7.221   5.292
  325   2HB   ARG  47          1HB       ARG  47   9.310  -6.647   5.953
  326   1HG   ARG  47          2HG       ARG  47   8.115  -8.387   5.081
  327   2HG   ARG  47          1HG       ARG  47   9.231  -8.633   3.740
  328   1HD   ARG  47          2HD       ARG  47  10.752  -9.127   6.011
  329   2HD   ARG  47          1HD       ARG  47   9.188  -9.862   6.358
  330    HE   ARG  47           HE       ARG  47   9.828 -11.538   4.966
  331   1HH1  ARG  47          1HH1      ARG  47  11.280  -8.585   3.822
  332   2HH1  ARG  47          2HH1      ARG  47  12.078  -9.345   2.487
  333   1HH2  ARG  47          1HH2      ARG  47  10.872 -12.545   3.210
  334   2HH2  ARG  47          2HH2      ARG  47  11.848 -11.596   2.139
  335    H    CYS  48           H        CYS  48  10.125  -4.172   2.330
  336    HA   CYS  48           HA       CYS  48  11.980  -2.941   1.769
  337   1HB   CYS  48          2HB       CYS  48  11.424  -2.556   4.667
  338   2HB   CYS  48          1HB       CYS  48  12.835  -1.765   3.971
  Start of MODEL   20
    1   1H    LYS   1          1HT       LYS   1 -12.968   8.370  -7.396
    2   2H    LYS   1          2HT       LYS   1 -11.831   7.436  -6.515
    3   3H    LYS   1          3HT       LYS   1 -11.510   7.868  -8.144
    4    HA   LYS   1           HA       LYS   1 -10.440   9.591  -7.424
    5   1HB   LYS   1          2HB       LYS   1 -13.281  10.165  -7.007
    6   2HB   LYS   1          1HB       LYS   1 -12.224  11.168  -6.024
    7   1HG   LYS   1          2HG       LYS   1 -12.587  12.370  -8.004
    8   2HG   LYS   1          1HG       LYS   1 -10.963  11.693  -8.152
    9   1HD   LYS   1          2HD       LYS   1 -11.883  11.246 -10.231
   10   2HD   LYS   1          1HD       LYS   1 -12.161   9.736  -9.360
   11   1HE   LYS   1          2HE       LYS   1 -14.337  11.565  -8.925
   12   2HE   LYS   1          1HE       LYS   1 -14.060  11.342 -10.651
   13   1HZ   LYS   1          1HZ       LYS   1 -14.302   8.998 -10.407
   14   2HZ   LYS   1          2HZ       LYS   1 -15.631   9.726  -9.658
   15   3HZ   LYS   1          3HZ       LYS   1 -14.366   9.109  -8.720
   16    HA   PRO   2           HA       PRO   2 -10.762   9.796  -2.654
   17   1HB   PRO   2          2HB       PRO   2 -12.878   8.669  -1.407
   18   2HB   PRO   2          1HB       PRO   2 -12.928  10.310  -2.060
   19   1HG   PRO   2          2HG       PRO   2 -13.982   7.769  -3.241
   20   2HG   PRO   2          1HG       PRO   2 -14.741   9.370  -3.176
   21   1HD   PRO   2          2HD       PRO   2 -13.484   8.415  -5.390
   22   2HD   PRO   2          1HD       PRO   2 -13.553  10.143  -4.988
   23    H    ASP   3           H        ASP   3 -11.168   8.038  -0.680
   24    HA   ASP   3           HA       ASP   3  -9.292   6.162  -0.766
   25   1HB   ASP   3          2HB       ASP   3 -11.947   5.436   0.455
   26   2HB   ASP   3          1HB       ASP   3 -10.332   5.038   1.029
   27    H    ALA   4           H        ALA   4  -8.876   4.251  -1.686
   28    HA   ALA   4           HA       ALA   4 -10.969   3.123  -3.418
   29   1HB   ALA   4          1HB       ALA   4  -8.047   3.502  -3.755
   30   2HB   ALA   4          2HB       ALA   4  -9.358   3.702  -4.918
   31   3HB   ALA   4          3HB       ALA   4  -8.789   2.085  -4.500
   32    HA   PRO   5           HA       PRO   5 -11.212  -0.139  -0.336
   33   1HB   PRO   5          2HB       PRO   5 -12.145  -1.448  -2.870
   34   2HB   PRO   5          1HB       PRO   5 -12.821  -1.555  -1.238
   35   1HG   PRO   5          2HG       PRO   5 -13.908   0.042  -3.098
   36   2HG   PRO   5          1HG       PRO   5 -13.863   0.499  -1.387
   37   1HD   PRO   5          2HD       PRO   5 -12.340   1.596  -3.660
   38   2HD   PRO   5          1HD       PRO   5 -12.694   2.325  -2.081
   39    H    CYS   6           H        CYS   6  -9.472  -1.174   0.263
   40    HA   CYS   6           HA       CYS   6  -7.501  -2.088  -1.643
   41   1HB   CYS   6          2HB       CYS   6  -6.315  -2.803   0.514
   42   2HB   CYS   6          1HB       CYS   6  -6.586  -1.079   0.281
   43    H    ILE   7           H        ILE   7  -8.933  -3.697  -2.640
   44    HA   ILE   7           HA       ILE   7  -8.863  -6.210  -1.119
   45    HB   ILE   7           HB       ILE   7 -11.089  -5.354  -2.960
   46   1HG1  ILE   7          2HG1      ILE   7 -10.921  -4.304  -0.604
   47   2HG1  ILE   7          1HG1      ILE   7 -12.451  -5.039  -1.072
   48   1HG2  ILE   7          1HG2      ILE   7 -10.313  -7.921  -1.715
   49   2HG2  ILE   7          2HG2      ILE   7 -11.158  -7.603  -3.230
   50   3HG2  ILE   7          3HG2      ILE   7 -12.032  -7.521  -1.700
   51   1HD1  ILE   7          1HD1      ILE   7 -11.739  -7.098   0.138
   52   2HD1  ILE   7          2HD1      ILE   7 -11.974  -5.681   1.163
   53   3HD1  ILE   7          3HD1      ILE   7 -10.344  -6.196   0.731
   54    H    CYS   8           H        CYS   8  -6.778  -5.695  -2.687
   55    HA   CYS   8           HA       CYS   8  -7.172  -6.622  -5.385
   56   1HB   CYS   8          2HB       CYS   8  -4.765  -5.931  -3.715
   57   2HB   CYS   8          1HB       CYS   8  -4.593  -6.671  -5.299
   58    H    THR   9           H        THR   9  -6.086  -7.892  -2.331
   59    HA   THR   9           HA       THR   9  -6.657 -10.572  -3.010
   60    HB   THR   9           HB       THR   9  -4.664 -10.698  -4.196
   61    HG1  THR   9           1HG      THR   9  -3.365 -12.005  -2.955
   62   1HG2  THR   9          1HG2      THR   9  -3.818  -8.445  -3.348
   63   2HG2  THR   9          2HG2      THR   9  -2.628  -9.683  -3.747
   64   3HG2  THR   9          3HG2      THR   9  -3.051  -9.377  -2.063
   65    H    MET  10           H        MET  10  -6.895 -11.780  -1.199
   66    HA   MET  10           HA       MET  10  -6.371 -10.424   1.327
   67   1HB   MET  10          2HB       MET  10  -8.178 -12.651   0.468
   68   2HB   MET  10          1HB       MET  10  -7.722 -12.519   2.159
   69   1HG   MET  10          2HG       MET  10  -8.575 -10.183   2.140
   70   2HG   MET  10          1HG       MET  10  -9.168 -10.468   0.503
   71   1HE   MET  10          1HE       MET  10 -12.015  -9.847   2.129
   72   2HE   MET  10          2HE       MET  10 -12.532 -11.160   1.071
   73   3HE   MET  10          3HE       MET  10 -11.261 -10.054   0.548
   74    H    GLN  11           H        GLN  11  -4.368 -11.859  -0.447
   75    HA   GLN  11           HA       GLN  11  -3.610 -14.110   1.205
   76   1HB   GLN  11          2HB       GLN  11  -3.012 -13.222  -1.463
   77   2HB   GLN  11          1HB       GLN  11  -1.522 -13.565  -0.600
   78   1HG   GLN  11          2HG       GLN  11  -3.829 -15.476  -0.786
   79   2HG   GLN  11          1HG       GLN  11  -2.424 -15.496  -1.851
   80   1HE2  GLN  11          1HE2      GLN  11  -3.354 -17.555  -0.033
   81   2HE2  GLN  11          2HE2      GLN  11  -2.063 -17.848   1.077
   82    H    TYR  12           H        TYR  12  -1.013 -12.098   0.016
   83    HA   TYR  12           HA       TYR  12  -0.559 -10.501   2.237
   84   1HB   TYR  12          2HB       TYR  12  -0.394 -12.831   3.300
   85   2HB   TYR  12          1HB       TYR  12   1.122 -12.994   2.421
   86    HD1  TYR  12           1HD      TYR  12  -0.415 -10.163   4.324
   87    HD2  TYR  12           2HD      TYR  12   2.887 -12.809   3.891
   88    HE1  TYR  12           1HE      TYR  12   0.755  -8.990   6.142
   89    HE2  TYR  12           2HE      TYR  12   4.067 -11.646   5.707
   90    HH   TYR  12           HH       TYR  12   2.666  -8.793   7.280
   91    H    ASP  13           H        ASP  13   0.006  -9.279   0.290
   92    HA   ASP  13           HA       ASP  13   2.717  -9.907  -0.677
   93   1HB   ASP  13          2HB       ASP  13   0.349  -9.256  -2.101
   94   2HB   ASP  13          1HB       ASP  13   1.436  -7.879  -2.253
   95    HA   PRO  14           HA       PRO  14   2.732  -6.195   2.208
   96   1HB   PRO  14          2HB       PRO  14   5.155  -6.956   3.303
   97   2HB   PRO  14          1HB       PRO  14   3.567  -7.286   4.001
   98   1HG   PRO  14          2HG       PRO  14   5.323  -9.060   2.360
   99   2HG   PRO  14          1HG       PRO  14   4.306  -9.464   3.757
  100   1HD   PRO  14          2HD       PRO  14   3.544 -10.049   1.253
  101   2HD   PRO  14          1HD       PRO  14   2.367  -9.536   2.481
  102    H    VAL  15           H        VAL  15   3.061  -4.876   0.415
  103    HA   VAL  15           HA       VAL  15   5.727  -4.738  -0.747
  104    HB   VAL  15           HB       VAL  15   4.738  -3.258  -2.378
  105   1HG1  VAL  15          1HG1      VAL  15   4.276  -5.874  -2.264
  106   2HG1  VAL  15          2HG1      VAL  15   3.637  -4.857  -3.556
  107   3HG1  VAL  15          3HG1      VAL  15   2.608  -5.302  -2.195
  108   1HG2  VAL  15          1HG2      VAL  15   2.216  -3.444  -0.742
  109   2HG2  VAL  15          2HG2      VAL  15   2.360  -2.659  -2.315
  110   3HG2  VAL  15          3HG2      VAL  15   3.236  -2.018  -0.926
  111    H    CYS  16           H        CYS  16   7.135  -3.334  -0.152
  112    HA   CYS  16           HA       CYS  16   6.559  -1.430   1.898
  113   1HB   CYS  16          2HB       CYS  16   8.809  -2.799   0.936
  114   2HB   CYS  16          1HB       CYS  16   9.129  -1.095   0.709
  115    H    GLY  17           H        GLY  17   5.740   0.502   1.547
  116   1HA   GLY  17          2HA       GLY  17   6.105   1.683  -1.102
  117   2HA   GLY  17          1HA       GLY  17   4.812   2.085   0.009
  118    H    SER  18           H        SER  18   6.905   3.606  -1.448
  119    HA   SER  18           HA       SER  18   8.880   4.627   0.123
  120   1HB   SER  18          2HB       SER  18   7.177   5.959  -1.979
  121   2HB   SER  18          1HB       SER  18   8.540   6.777  -1.214
  122    HG   SER  18           HG       SER  18   8.511   4.752  -3.086
  123    H    ASP  19           H        ASP  19   8.452   4.852   2.159
  124    HA   ASP  19           HA       ASP  19   7.640   7.213   3.266
  125   1HB   ASP  19          2HB       ASP  19   5.371   5.613   2.487
  126   2HB   ASP  19          1HB       ASP  19   5.413   5.770   4.240
  127    H    GLY  20           H        GLY  20   7.975   3.786   3.434
  128   1HA   GLY  20          2HA       GLY  20   9.498   2.823   5.013
  129   2HA   GLY  20          1HA       GLY  20   8.983   4.038   6.179
  130    H    ILE  21           H        ILE  21   6.728   2.308   4.108
  131    HA   ILE  21           HA       ILE  21   5.917   0.746   6.479
  132    HB   ILE  21           HB       ILE  21   4.064   2.245   4.639
  133   1HG1  ILE  21          2HG1      ILE  21   5.344   3.469   6.510
  134   2HG1  ILE  21          1HG1      ILE  21   3.597   3.671   6.450
  135   1HG2  ILE  21          1HG2      ILE  21   2.253   1.372   6.023
  136   2HG2  ILE  21          2HG2      ILE  21   3.415   0.432   6.960
  137   3HG2  ILE  21          3HG2      ILE  21   3.151   0.061   5.256
  138   1HD1  ILE  21          1HD1      ILE  21   3.473   3.005   8.549
  139   2HD1  ILE  21          2HD1      ILE  21   5.215   2.733   8.582
  140   3HD1  ILE  21          3HD1      ILE  21   4.129   1.435   8.087
  141    H    THR  22           H        THR  22   5.251  -1.291   6.167
  142    HA   THR  22           HA       THR  22   5.455  -2.360   3.444
  143    HB   THR  22           HB       THR  22   5.281  -4.009   5.957
  144    HG1  THR  22           1HG      THR  22   7.008  -2.579   6.248
  145   1HG2  THR  22          1HG2      THR  22   5.103  -5.140   3.762
  146   2HG2  THR  22          2HG2      THR  22   6.485  -5.657   4.728
  147   3HG2  THR  22          3HG2      THR  22   6.719  -4.549   3.375
  148    H    TYR  23           H        TYR  23   3.507  -2.081   2.534
  149    HA   TYR  23           HA       TYR  23   1.061  -2.550   3.983
  150   1HB   TYR  23          2HB       TYR  23   1.443  -1.983   1.049
  151   2HB   TYR  23          1HB       TYR  23  -0.013  -1.729   2.008
  152    HD1  TYR  23           1HD      TYR  23   3.186  -0.387   1.015
  153    HD2  TYR  23           2HD      TYR  23  -0.020   0.047   3.773
  154    HE1  TYR  23           1HE      TYR  23   3.989   1.862   1.583
  155    HE2  TYR  23           2HE      TYR  23   0.767   2.306   4.334
  156    HH   TYR  23           HH       TYR  23   3.437   3.811   2.608
  157    H    GLY  24           H        GLY  24   0.047  -4.410   4.136
  158   1HA   GLY  24          2HA       GLY  24   0.885  -6.852   3.323
  159   2HA   GLY  24          1HA       GLY  24  -0.813  -6.466   3.568
  160    H    ASN  25           H        ASN  25  -0.609  -4.443   1.366
  161    HA   ASN  25           HA       ASN  25   0.013  -5.842  -1.016
  162   1HB   ASN  25          2HB       ASN  25  -2.790  -5.533  -1.360
  163   2HB   ASN  25          1HB       ASN  25  -1.850  -7.020  -1.390
  164   1HD2  ASN  25          1HD2      ASN  25  -3.551  -8.178  -0.456
  165   2HD2  ASN  25          2HD2      ASN  25  -3.944  -8.029   1.216
  166    H    ALA  26           H        ALA  26  -0.178  -4.546  -2.851
  167    HA   ALA  26           HA       ALA  26   0.117  -1.833  -2.625
  168   1HB   ALA  26          1HB       ALA  26   0.660  -2.267  -4.748
  169   2HB   ALA  26          2HB       ALA  26  -1.058  -2.105  -5.114
  170   3HB   ALA  26          3HB       ALA  26  -0.369  -3.698  -4.800
  171    H    CYS  27           H        CYS  27  -2.763  -3.688  -2.574
  172    HA   CYS  27           HA       CYS  27  -4.589  -1.523  -3.049
  173   1HB   CYS  27          2HB       CYS  27  -4.773  -4.395  -2.630
  174   2HB   CYS  27          1HB       CYS  27  -5.995  -3.512  -1.725
  175    H    MET  28           H        MET  28  -3.696  -3.502  -0.222
  176    HA   MET  28           HA       MET  28  -5.053  -2.134   1.757
  177   1HB   MET  28          2HB       MET  28  -2.406  -3.515   1.644
  178   2HB   MET  28          1HB       MET  28  -2.777  -2.566   3.060
  179   1HG   MET  28          2HG       MET  28  -4.901  -3.844   3.311
  180   2HG   MET  28          1HG       MET  28  -4.325  -4.923   2.048
  181   1HE   MET  28          1HE       MET  28  -3.734  -4.376   6.223
  182   2HE   MET  28          2HE       MET  28  -3.408  -3.065   5.087
  183   3HE   MET  28          3HE       MET  28  -2.070  -3.951   5.820
  184    H    LEU  29           H        LEU  29  -2.267  -1.362  -0.102
  185    HA   LEU  29           HA       LEU  29  -1.323   0.907   1.213
  186   1HB   LEU  29          2HB       LEU  29  -0.871  -0.509  -1.185
  187   2HB   LEU  29          1HB       LEU  29  -1.130   1.159  -1.630
  188    HG   LEU  29           HG       LEU  29   1.021  -0.021   0.073
  189   1HD1  LEU  29          1HD1      LEU  29   1.358   0.322  -2.353
  190   2HD1  LEU  29          2HD1      LEU  29   2.445   1.307  -1.373
  191   3HD1  LEU  29          3HD1      LEU  29   1.032   2.041  -2.131
  192   1HD2  LEU  29          1HD2      LEU  29   0.290   1.701   1.500
  193   2HD2  LEU  29          2HD2      LEU  29  -0.061   2.780   0.159
  194   3HD2  LEU  29          3HD2      LEU  29   1.609   2.418   0.584
  195    H    LEU  30           H        LEU  30  -3.493   0.539  -1.536
  196    HA   LEU  30           HA       LEU  30  -4.231   3.169  -1.886
  197   1HB   LEU  30          2HB       LEU  30  -5.543   0.534  -2.334
  198   2HB   LEU  30          1HB       LEU  30  -6.569   1.953  -2.399
  199    HG   LEU  30           HG       LEU  30  -4.102   1.527  -4.076
  200   1HD1  LEU  30          1HD1      LEU  30  -6.811   1.626  -5.268
  201   2HD1  LEU  30          2HD1      LEU  30  -6.363   0.152  -4.408
  202   3HD1  LEU  30          3HD1      LEU  30  -5.384   0.715  -5.763
  203   1HD2  LEU  30          1HD2      LEU  30  -5.057   3.906  -3.408
  204   2HD2  LEU  30          2HD2      LEU  30  -6.190   3.542  -4.711
  205   3HD2  LEU  30          3HD2      LEU  30  -4.456   3.568  -5.031
  206    H    CYS  31           H        CYS  31  -5.057   0.890   0.618
  207    HA   CYS  31           HA       CYS  31  -7.156   2.551   1.737
  208   1HB   CYS  31          2HB       CYS  31  -5.883  -0.051   2.414
  209   2HB   CYS  31          1HB       CYS  31  -6.556   0.866   3.754
  210    H    ALA  32           H        ALA  32  -3.750   2.027   2.077
  211    HA   ALA  32           HA       ALA  32  -3.349   3.404   4.519
  212   1HB   ALA  32          1HB       ALA  32  -1.575   2.032   4.034
  213   2HB   ALA  32          2HB       ALA  32  -0.947   3.586   3.486
  214   3HB   ALA  32          3HB       ALA  32  -1.597   2.437   2.317
  215    H    SER  33           H        SER  33  -2.629   4.331   1.152
  216    HA   SER  33           HA       SER  33  -1.997   6.997   1.660
  217   1HB   SER  33          2HB       SER  33  -2.666   5.385  -0.680
  218   2HB   SER  33          1HB       SER  33  -3.225   7.051  -0.832
  219    HG   SER  33           HG       SER  33  -1.159   7.770  -0.591
  220    H    ALA  34           H        ALA  34  -5.101   5.410   1.321
  221    HA   ALA  34           HA       ALA  34  -6.539   7.943   1.375
  222   1HB   ALA  34          1HB       ALA  34  -7.464   6.351  -0.108
  223   2HB   ALA  34          2HB       ALA  34  -8.557   6.430   1.274
  224   3HB   ALA  34          3HB       ALA  34  -7.430   5.082   1.117
  225    H    ARG  35           H        ARG  35  -5.125   5.999   3.634
  226    HA   ARG  35           HA       ARG  35  -7.209   6.349   5.655
  227   1HB   ARG  35          2HB       ARG  35  -4.910   4.555   5.302
  228   2HB   ARG  35          1HB       ARG  35  -5.119   5.142   6.945
  229   1HG   ARG  35          2HG       ARG  35  -7.401   4.294   6.975
  230   2HG   ARG  35          1HG       ARG  35  -7.221   3.735   5.310
  231   1HD   ARG  35          2HD       ARG  35  -6.399   1.818   6.068
  232   2HD   ARG  35          1HD       ARG  35  -5.037   2.699   6.759
  233    HE   ARG  35           HE       ARG  35  -7.336   2.786   8.448
  234   1HH1  ARG  35          1HH1      ARG  35  -4.648   0.800   7.471
  235   2HH1  ARG  35          2HH1      ARG  35  -4.604  -0.097   8.952
  236   1HH2  ARG  35          1HH2      ARG  35  -7.288   1.609  10.404
  237   2HH2  ARG  35          2HH2      ARG  35  -6.106   0.360  10.618
  238    H    SER  36           H        SER  36  -3.754   7.043   5.213
  239    HA   SER  36           HA       SER  36  -3.777   8.850   7.475
  240   1HB   SER  36          2HB       SER  36  -1.847   7.395   7.152
  241   2HB   SER  36          1HB       SER  36  -1.559   8.092   5.561
  242    HG   SER  36           HG       SER  36  -1.547  10.165   6.973
  243    H    ASP  37           H        ASP  37  -1.822   9.719   4.745
  244    HA   ASP  37           HA       ASP  37  -3.490  11.508   3.428
  245   1HB   ASP  37          2HB       ASP  37  -2.730  13.663   4.394
  246   2HB   ASP  37          1HB       ASP  37  -3.679  12.701   5.523
  247    H    THR  38           H        THR  38  -0.287  10.589   4.445
  248    HA   THR  38           HA       THR  38   1.079  12.176   2.480
  249    HB   THR  38           HB       THR  38   2.617   9.934   3.464
  250    HG1  THR  38           1HG      THR  38   1.864   9.815   5.401
  251   1HG2  THR  38          1HG2      THR  38   2.812  12.855   3.376
  252   2HG2  THR  38          2HG2      THR  38   4.040  11.620   3.101
  253   3HG2  THR  38          3HG2      THR  38   3.613  12.088   4.747
  254    HA   PRO  39           HA       PRO  39   0.015   9.342  -0.847
  255   1HB   PRO  39          2HB       PRO  39   1.966  11.077  -2.257
  256   2HB   PRO  39          1HB       PRO  39   0.314  10.643  -2.707
  257   1HG   PRO  39          2HG       PRO  39   0.887  13.077  -1.777
  258   2HG   PRO  39          1HG       PRO  39  -0.624  12.259  -1.336
  259   1HD   PRO  39          2HD       PRO  39   1.876  12.620   0.265
  260   2HD   PRO  39          1HD       PRO  39   0.181  12.683   0.791
  261    H    ILE  40           H        ILE  40   1.093   7.510  -0.031
  262    HA   ILE  40           HA       ILE  40   3.918   7.226  -0.024
  263    HB   ILE  40           HB       ILE  40   3.436   4.813   0.261
  264   1HG1  ILE  40          2HG1      ILE  40   1.017   5.527  -1.008
  265   2HG1  ILE  40          1HG1      ILE  40   1.498   3.936  -0.443
  266   1HG2  ILE  40          1HG2      ILE  40   2.053   6.855   1.961
  267   2HG2  ILE  40          2HG2      ILE  40   3.554   5.983   2.271
  268   3HG2  ILE  40          3HG2      ILE  40   2.008   5.143   2.378
  269   1HD1  ILE  40          1HD1      ILE  40   0.219   5.912   1.402
  270   2HD1  ILE  40          2HD1      ILE  40   0.311   4.156   1.545
  271   3HD1  ILE  40          3HD1      ILE  40  -0.743   4.889   0.336
  272    H    GLU  41           H        GLU  41   5.164   5.764  -1.389
  273    HA   GLU  41           HA       GLU  41   3.981   5.205  -4.017
  274   1HB   GLU  41          2HB       GLU  41   6.266   7.036  -3.460
  275   2HB   GLU  41          1HB       GLU  41   6.350   6.024  -4.896
  276   1HG   GLU  41          2HG       GLU  41   4.483   7.029  -5.862
  277   2HG   GLU  41          1HG       GLU  41   3.950   7.719  -4.330
  278    H    LEU  42           H        LEU  42   4.131   3.029  -3.981
  279    HA   LEU  42           HA       LEU  42   5.622   1.269  -2.728
  280   1HB   LEU  42          2HB       LEU  42   4.436   1.279  -5.318
  281   2HB   LEU  42          1HB       LEU  42   5.937   0.388  -5.372
  282    HG   LEU  42           HG       LEU  42   3.766  -0.901  -4.852
  283   1HD1  LEU  42          1HD1      LEU  42   6.421  -1.316  -4.228
  284   2HD1  LEU  42          2HD1      LEU  42   5.129  -2.514  -4.165
  285   3HD1  LEU  42          3HD1      LEU  42   5.578  -1.624  -2.710
  286   1HD2  LEU  42          1HD2      LEU  42   3.312   0.925  -2.999
  287   2HD2  LEU  42          2HD2      LEU  42   4.285  -0.172  -2.019
  288   3HD2  LEU  42          3HD2      LEU  42   2.809  -0.752  -2.788
  289    H    VAL  43           H        VAL  43   7.613   0.293  -2.782
  290    HA   VAL  43           HA       VAL  43   9.671   1.548  -4.445
  291    HB   VAL  43           HB       VAL  43   9.640   2.736  -2.286
  292   1HG1  VAL  43          1HG1      VAL  43   8.931   1.246  -0.675
  293   2HG1  VAL  43          2HG1      VAL  43  10.655   1.375  -0.338
  294   3HG1  VAL  43          3HG1      VAL  43  10.030  -0.021  -1.214
  295   1HG2  VAL  43          1HG2      VAL  43  11.699   2.747  -3.433
  296   2HG2  VAL  43          2HG2      VAL  43  12.059   1.087  -2.959
  297   3HG2  VAL  43          3HG2      VAL  43  12.079   2.373  -1.752
  298    H    HIS  44           H        HIS  44   8.786  -1.092  -2.279
  299    HA   HIS  44           HA       HIS  44  10.249  -2.931  -3.945
  300   1HB   HIS  44          2HB       HIS  44  10.943  -3.751  -1.328
  301   2HB   HIS  44          1HB       HIS  44  12.016  -3.263  -2.634
  302    HD1  HIS  44           1HD      HIS  44  12.708  -0.699  -2.662
  303    HD2  HIS  44           2HD      HIS  44  10.772  -2.017   0.766
  304    HE1  HIS  44           1HE      HIS  44  13.146   1.063  -0.929
  305    HE2  HIS  44           2HE      HIS  44  11.853   0.314   1.095
  306    H    LYS  45           H        LYS  45   9.013  -4.632  -4.270
  307    HA   LYS  45           HA       LYS  45   6.591  -5.021  -2.827
  308   1HB   LYS  45          2HB       LYS  45   7.886  -6.151  -5.191
  309   2HB   LYS  45          1HB       LYS  45   6.979  -7.341  -4.270
  310   1HG   LYS  45          2HG       LYS  45   5.083  -6.602  -5.130
  311   2HG   LYS  45          1HG       LYS  45   5.403  -4.981  -4.511
  312   1HD   LYS  45          2HD       LYS  45   5.379  -4.449  -6.709
  313   2HD   LYS  45          1HD       LYS  45   7.054  -4.999  -6.633
  314   1HE   LYS  45          2HE       LYS  45   6.534  -6.446  -8.243
  315   2HE   LYS  45          1HE       LYS  45   5.598  -7.321  -7.033
  316   1HZ   LYS  45          1HZ       LYS  45   3.689  -5.865  -7.644
  317   2HZ   LYS  45          2HZ       LYS  45   4.188  -6.911  -8.876
  318   3HZ   LYS  45          3HZ       LYS  45   4.609  -5.274  -8.937
  319    H    GLY  46           H        GLY  46   7.953  -5.146  -0.723
  320   1HA   GLY  46          2HA       GLY  46   7.690  -7.739   0.321
  321   2HA   GLY  46          1HA       GLY  46   9.386  -7.459  -0.051
  322    H    ARG  47           H        ARG  47   9.725  -7.677   2.276
  323    HA   ARG  47           HA       ARG  47   8.700  -5.490   3.898
  324   1HB   ARG  47          2HB       ARG  47  10.648  -7.558   4.874
  325   2HB   ARG  47          1HB       ARG  47   9.429  -6.675   5.783
  326   1HG   ARG  47          2HG       ARG  47   7.723  -8.053   5.106
  327   2HG   ARG  47          1HG       ARG  47   8.564  -8.548   3.635
  328   1HD   ARG  47          2HD       ARG  47   9.599 -10.249   4.664
  329   2HD   ARG  47          1HD       ARG  47   9.959  -9.283   6.096
  330    HE   ARG  47           HE       ARG  47   7.648 -10.980   5.664
  331   1HH1  ARG  47          1HH1      ARG  47   9.129  -8.476   7.577
  332   2HH1  ARG  47          2HH1      ARG  47   8.124  -8.758   8.960
  333   1HH2  ARG  47          1HH2      ARG  47   6.317 -11.358   7.476
  334   2HH2  ARG  47          2HH2      ARG  47   6.525 -10.398   8.902
  335    H    CYS  48           H        CYS  48  10.116  -4.323   2.061
  336    HA   CYS  48           HA       CYS  48  11.976  -3.085   1.560
  337   1HB   CYS  48          2HB       CYS  48  11.416  -2.771   4.459
  338   2HB   CYS  48          1HB       CYS  48  12.871  -2.018   3.817