*HEADER    HYDROLASE INHIBITOR                     18-NOV-04   1Y1B              
*TITLE     SOLUTION STRUCTURE OF ANEMONIA ELASTASE INHIBITOR                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ELASTASE INHIBITOR;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: 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 1Y1B    0                                                

!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 HA) (residue 3 and name HB#) 2.0 0.2 4.0
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 2 and name HD#) (residue 1 and name HG#) 2.0 0.2 5.0
assign (residue 3 and name HA) (residue 4 and name HN) 2.0 0.2 0.7
assign (residue 3 and name HA) (residue 34 and name HN) 2.0 0.2 3.0
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 3 and name HB#) (residue 30 and name HD#) 2.0 0.2 6.4
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 HA) (residue 30 and name HB#) 2.0 0.2 4.0
assign (residue 4 and name HA) (residue 30 and name HG) 2.0 0.2 3.0
assign (residue 4 and name HA) (residue 30 and name HD#) 2.0 0.2 5.4
assign (residue 4 and name HA) (residue 34 and name HB#) 2.0 0.2 4.0 
assign (residue 4 and name HA) (residue 34 and name HN) 2.0 0.2 3.0
assign (residue 4 and name HB#) (residue 4 and name HN) 2.0 0.2 1.3
assign (residue 4 and name HB#) (residue 34 and name HN) 2.0 0.2 4.0
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 5 and name HA) (residue 6 and name HN) 2.0 0.2 0.7
assign (residue 5 and name HA) (residue 7 and name HN) 2.0 0.2 3.0
assign (residue 5 and name HB#) (residue 31 and name HN) 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 HB#) (residue 7 and name HN) 2.0 0.2 4.0
assign (residue 5 and name HD#) (residue 4 and name HN) 2.0 0.2 4.0
assign (residue 5 and name HD#) (residue 30 and name HD#) 2.0 0.2 6.4
assign (residue 5 and name HG#) (residue 6 and name HN) 2.0 0.2 4.0
assign (residue 6 and name HA) (residue 5 and name HB#) 2.0 0.2 4.0
assign (residue 6 and name HA) (residue 5 and name HG#) 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 HG2#) 2.0 0.2 4.5
assign (residue 6 and name HA) (residue 7 and name HN) 2.0 0.2 0.7
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 HD#) (residue 7 and name HN) 2.0 0.2 5.4
assign (residue 6 and name HG) (residue 7 and name HN) 2.0 0.2 3.0
assign (residue 6 and name HN) (residue 7 and name HN) 2.0 0.2 1.5
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 1.5
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 3.5
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 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 HB1) (residue 28 and name HG#) 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 1.5
assign (residue 9 and name HA) (residue 10 and name HB#) 2.0 0.2 4.0
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 10 and name HN) 2.0 0.2 3.0
assign (residue 9 and name HB) (residue 11 and name HN) 2.0 0.2 3.0
assign (residue 9 and name HG2#) (residue 8 and name HN) 2.0 0.2 4.5
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 1.5
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 HB#) (residue 10 and name HN) 2.0 0.2 1.3
assign (residue 10 and name HB#) (residue 11 and name HN) 2.0 0.2 2.5
assign (residue 10 and name HG#) (residue 10 and name HN) 2.0 0.2 3.6
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 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 HB1) (residue 12 and name HN) 2.0 0.2 1.5
assign (residue 12 and name HB2) (residue 12 and name HN) 2.0 0.2 1.5
assign (residue 12 and name HB1) (residue 13 and name HN) 2.0 0.2 2.0
assign (residue 12 and name HB2) (residue 13 and name HN) 2.0 0.2 3.0
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 HA) 2.0 0.2 3.0
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 12 and name HD#) 2.0 0.2 6.4
assign (residue 14 and name HB#) (residue 13 and name HA) 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 22 and name HG2#) 2.0 0.2 4.0
assign (residue 14 and name HD#) (residue 12 and name HD#) 2.0 0.2 6.4
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 13 and name HB#) 2.0 0.2 6.4
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 HA) 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 HB#) 2.0 0.2 4.0
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 3.0
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 22 and name HG2#) 2.0 0.2 4.5
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 45 and name HA) 2.0 0.2 1.0
assign (residue 15 and name HA) (residue 45 and name HB#) 2.0 0.2 4.0
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 42 and name HD#) 2.0 0.2 5.4
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 5.4
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 5.4
assign (residue 15 and name HG#) (residue 17 and name HN) 2.0 0.2 5.4
assign (residue 15 and name HG#) (residue 23 and name HN) 2.0 0.2 5.4
assign (residue 15 and name HG#) (residue 23 and name HD#) 2.0 0.2 6.4
assign (residue 15 and name HG#) (residue 25 and name HN) 2.0 0.2 5.4
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 42 and name HD#) 2.0 0.2 7.8
assign (residue 15 and name HG#) (residue 45 and name HN) 2.0 0.2 5.4
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 5.4
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 HN) 2.0 0.2 0.7
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 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 44 and name HD2) 2.0 0.2 3.0
assign (residue 16 and name HA) (residue 48 and name HN) 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 HN) 2.0 0.2 1.5
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 HB#) (residue 44 and name HE1) 2.0 0.2 4.0
assign (residue 16 and name HB1) (residue 48 and name HN) 2.0 0.2 3.0
assign (residue 16 and name HB#) (residue 43 and name HB) 2.0 0.2 4.0
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 16 and name HN) (residue 44 and name HB#) 2.0 0.2 4.0
assign (residue 16 and name HN) (residue 44 and name HN) 2.0 0.2 3.0
assign (residue 17 and name HN) (residue 23 and name HN) 2.0 0.2 3.0
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 2.5
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 HG2#) 2.0 0.2 5.5
assign (residue 17 and name HA#) (residue 42 and name HA) 2.0 0.2 1.5
assign (residue 17 and name HA#) (residue 42 and name HB1) 2.0 0.2 4.0
assign (residue 17 and name HA#) (residue 42 and name HB2) 2.0 0.2 4.0
assign (residue 17 and name HA#) (residue 43 and name HG#) 2.0 0.2 6.4
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 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 HG#) 2.0 0.2 5.0
assign (residue 18 and name HB#) (residue 41 and name HN) 2.0 0.2 3.0
assign (residue 18 and name HB#) (residue 43 and name HB) 2.0 0.2 4.0
assign (residue 18 and name HB#) (residue 43 and name HG1#) 2.0 0.2 5.5
assign (residue 18 and name HB#) (residue 43 and name HG2#) 2.0 0.2 5.5
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 40 and name HG1#) 2.0 0.2 5.0
assign (residue 19 and name HB#) (residue 40 and name HG2#) 2.0 0.2 4.0
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 HG1#) 2.0 0.2 5.0
assign (residue 19 and name HN) (residue 17 and name HN) 2.0 0.2 3.0
assign (residue 19 and name HN) (residue 18 and name HN) 2.0 0.2 3.0
assign (residue 19 and name HN) (residue 20 and name HN) 2.0 0.2 1.5
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 21 and name HA) (residue 23 and name HE#) 2.0 0.2 5.6
assign (residue 17 and name HA#) (residue 42 and name HD#) 2.0 0.2 6.4
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 19 and name HN) 2.0 0.2 3.0
assign (residue 21 and name HN) (residue 22 and name HN) 2.0 0.2 3.0
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 HN) 2.0 0.2 0.7
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 4.5
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 28 and name HN) 2.0 0.2 3.0 
assign (residue 23 and name HB2) (residue 29 and name HB#) 2.0 0.2 4.0
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 5.4
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 HN) 2.0 0.2 3.0
assign (residue 23 and name HB1) (residue 15 and name HG#) 2.0 0.2 5.4
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 HB#) 2.0 0.2 4.0
assign (residue 23 and name HB1) (residue 29 and name HD#) 2.0 0.2 5.4
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 23 and name HE#) (residue 32 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 14 and name HB#) 2.0 0.2 5.0
assign (residue 24 and name HA#) (residue 15 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 HB#) 2.0 0.2 4.5
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 13 and name HB#) 2.0 0.2 5.0
assign (residue 25 and name HB#) (residue 26 and name HB#) 2.0 0.2 5.5
assign (residue 25 and name HB#) (residue 28 and name HN) 2.0 0.2 4.0
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 12 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 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 HB#) 2.0 0.2 2.5
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 5.4
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 HB#) 2.0 0.2 5.5
assign (residue 26 and name HB#) (residue 29 and name HN) 2.0 0.2 4.5
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 HB#) 2.0 0.2 3.0
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 HB1) (residue 9 and name HN) 2.0 0.2 3.0
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 9 and name HN) 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 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 HB#) (residue 23 and name HE#) 2.0 0.2 6.4
assign (residue 28 and name HB#) (residue 24 and name HN) 2.0 0.2 2.5
assign (residue 28 and name HB#) (residue 25 and name HD2#) 2.0 0.2 5.0
assign (residue 28 and name HB#) (residue 25 and name HN) 2.0 0.2 1.7
assign (residue 28 and name HB#) (residue 26 and name HN) 2.0 0.2 4.0
assign (residue 28 and name HB#) (residue 27 and name HN) 2.0 0.2 4.0
assign (residue 28 and name HB#) (residue 28 and name HN) 2.0 0.2 1.7
assign (residue 28 and name HB#) (residue 29 and name HN) 2.0 0.2 2.5
assign (residue 28 and name HB#) (residue 31 and name HN) 2.0 0.2 4.0
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 HN) (residue 26 and name HN) 2.0 0.2 3.0
assign (residue 28 and name HN) (residue 31 and name HN) 2.0 0.2 3.0
assign (residue 29 and name HA) (residue 23 and name HB#) 2.0 0.2 4.0
assign (residue 29 and name HA) (residue 23 and name HD#) 2.0 0.2 5.4
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 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 HB#) (residue 29 and name HN) 2.0 0.2 2.5
assign (residue 29 and name HB#) (residue 30 and name HN) 2.0 0.2 2.5
assign (residue 29 and name HB#) (residue 31 and name HN) 2.0 0.2 4.0
assign (residue 29 and name HB#) (residue 32 and name HN) 2.0 0.2 4.0
assign (residue 29 and name HB#) (residue 33 and name HN) 2.0 0.2 4.0
assign (residue 29 and name HB#) (residue 23 and name HE#) 2.0 0.2 6.4
assign (residue 29 and name HD#) (residue 17 and name HN) 2.0 0.2 5.4
assign (residue 29 and name HD#) (residue 23 and name HD#) 2.0 0.2 8.2
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 5.4
assign (residue 29 and name HD#) (residue 30 and name HA) 2.0 0.2 5.4
assign (residue 29 and name HD#) (residue 32 and name HN) 2.0 0.2 5.4
assign (residue 29 and name HD#) (residue 33 and name HA) 2.0 0.2 5.4
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 5.4
assign (residue 29 and name HD#) (residue 41 and name HN) 2.0 0.2 5.4
assign (residue 29 and name HD#) (residue 42 and name HN) 2.0 0.2 5.4
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 5.4
assign (residue 29 and name HD#) (residue 25 and name HN) 2.0 0.2 5.4
assign (residue 29 and name HD2#) (residue 29 and name HN) 2.0 0.2 3.0
assign (residue 29 and name HD#) (residue 30 and name HA) 2.0 0.2 5.4
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 5.4
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 HB#) (residue 29 and name HN) 2.0 0.2 4.0
assign (residue 30 and name HB#) (residue 30 and name HN) 2.0 0.2 2.5
assign (residue 30 and name HB#) (residue 31 and name HN) 2.0 0.2 2.5
assign (residue 30 and name HD#) (residue 27 and name HN) 2.0 0.2 5.4
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 5.4
assign (residue 30 and name HD#) (residue 34 and name HN) 2.0 0.2 5.4
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 27 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 33 and name HN) 2.0 0.2 4.0
assign (residue 31 and name HA#) (residue 30 and name HN) 2.0 0.2 4.0
assign (residue 31 and name HA#) (residue 32 and name HN) 2.0 0.2 2.5
assign (residue 31 and name HA#) (residue 34 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 33 and name HN) 2.0 0.2 1.5
assign (residue 32 and name HA) (residue 34 and name HN) 2.0 0.2 3.0 
assign (residue 32 and name HA) (residue 35 and name HN) 2.0 0.2 1.5
assign (residue 32 and name HA) (residue 36 and name HN) 2.0 0.2 3.0
assign (residue 32 and name HA) (residue 40 and name HD1#) 2.0 0.2 4.5
assign (residue 32 and name HB#) (residue 29 and name HB#) 2.0 0.2 5.5
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
assign (residue 32 and name HB#) (residue 33 and name HN) 2.0 0.2 2.2
assign (residue 32 and name HB#) (residue 34 and name HN) 2.0 0.2 4.0
assign (residue 32 and name HB#) (residue 40 and name HD1#) 2.0 0.2 4.0
assign (residue 32 and name HN) (residue 29 and name HN) 2.0 0.2 3.0
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 32 and name HN) (residue 34 and name HN) 2.0 0.2 3.0
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
assign (residue 33 and name HB#) (residue 40 and name HN) 2.0 0.2 4.0
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
assign (residue 34 and name HA) (residue 36 and name HN) 2.0 0.2 3.0
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assign (residue 34 and name HN) (residue 31 and name HN) 2.0 0.2 3.0
assign (residue 34 and name HN) (residue 33 and name HN) 2.0 0.2 0.7
assign (residue 35 and name HA) (residue 35 and name HE) 2.0 0.2 3.0
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assign (residue 35 and name HA) (residue 36 and name HN) 2.0 0.2 1.5
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assign (residue 35 and name HD#) (residue 34 and name HN) 2.0 0.2 4.0
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assign (residue 35 and name HG#) (residue 34 and name HN) 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
assign (residue 35 and name HN) (residue 34 and name HN) 2.0 0.2 0.7
assign (residue 35 and name HN) (residue 36 and name HN) 2.0 0.2 0.7
assign (residue 36 and name HA) (residue 37 and name HN) 2.0 0.2 1.5
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assign (residue 36 and name HB2) (residue 36 and name HN) 2.0 0.2 0.7
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assign (residue 36 and name HB1) (residue 36 and name HN) 2.0 0.2 0.7
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assign (residue 36 and name HB#) (residue 40 and name HD1#) 2.0 0.2 5.5
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assign (residue 36 and name HN) (residue 38 and name HN) 2.0 0.2 3.0
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assign (residue 38 and name HN) (residue 40 and name HN) 2.0 0.2 3.0
assign (residue 39 and name HA) (residue 40 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 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 23 and name HE#) 2.0 0.2 5.5
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 1.5
assign (residue 42 and name HA) (residue 29 and name HD#) 2.0 0.2 5.4
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 5.4
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 5.4
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 3.0
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 5.4
assign (residue 42 and name HD#) (residue 43 and name HN) 2.0 0.2 4.4
assign (residue 42 and name HD#) (residue 15 and name HN) 2.0 0.2 5.4
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 HD1#) (residue 17 and name HA#) 2.0 0.2 5.0
assign (residue 42 and name HD2#) (residue 17 and name HA#) 2.0 0.2 5.0
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 HD2#) (residue 42 and name HN) 2.0 0.2 3.5
assign (residue 42 and name HD#) (residue 29 and name HD#) 2.0 0.2 7.8
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 3.0
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 6.4
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 5.4
assign (residue 43 and name HG#) (residue 42 and name HN) 2.0 0.2 5.4
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 3.0
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 43 and name HN) (residue 42 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 42 and name HD#) 2.0 0.2 5.4
assign (residue 44 and name HA) (residue 45 and name HB#) 2.0 0.2 4.0
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 42 and name HD#) 2.0 0.2 5.4
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 3.0
assign (residue 45 and name HA) (residue 15 and name HG#) 2.0 0.2 3.9
assign (residue 45 and name HA) (residue 16 and name HN) 2.0 0.2 2.0
assign (residue 45 and name HA) (residue 42 and name HD#) 2.0 0.2 5.4
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 14 and name HG#) 2.0 0.2 5.0
assign (residue 46 and name HN) (residue 16 and name HN) 2.0 0.2 3.0
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 16 and name HB#) 2.0 0.2 4.0
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 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 bond

!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

!G31
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

!C34
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 

!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

!C4
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
assign (resid 4 and name n)(resid 4 and name ca)
        (resid 4 and name cb)(resid 4 and name sg) 1.0  -60.0 60.0  2    !Chi 1

!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 

!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
assign (resid 12 and name n)(resid 12 and name ca)
        (resid 12 and name cb)(resid 12 and name cg) 1.0  -60.0 60.0  2    !Chi 1

!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


!V15
assign (resid 14 and name c)(resid 15 and name n)
        (resid 15 and name ca)(resid 15 and name c) 1.0 -120.0 40.0 2 !Phi

!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

!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

!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

!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

!C34
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

!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
assign (resid 41 and name n)(resid 41 and name ca)
        (resid 41 and name c)(resid 42 and name n) 1.0 120.0 60.0 2  !Psi

!L42
assign (resid 41 and name c)(resid 42 and name n)
        (resid 42 and name ca)(resid 42 and name c) 1.0 -120.0 50.0 2 !Phi
assign (resid 42 and name n)(resid 42 and name ca)
        (resid 42 and name c)(resid 43 and name n) 1.0 120.0 60.0 2  !Psi
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

!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   2.929  12.961   6.154
    2   2H    LYS   1          2HT       LYS   1   1.278  13.222   5.766
    3   3H    LYS   1          3HT       LYS   1   2.509  13.830   4.738
    4    HA   LYS   1           HA       LYS   1   1.268  11.307   4.782
    5   1HB   LYS   1          2HB       LYS   1   1.958  11.309   2.548
    6   2HB   LYS   1          1HB       LYS   1   1.782  13.020   2.912
    7   1HG   LYS   1          2HG       LYS   1   4.174  13.239   3.206
    8   2HG   LYS   1          1HG       LYS   1   4.386  11.506   2.944
    9   1HD   LYS   1          2HD       LYS   1   4.687  12.011   0.788
   10   2HD   LYS   1          1HD       LYS   1   2.951  12.319   0.731
   11   1HE   LYS   1          2HE       LYS   1   4.776  14.488   1.655
   12   2HE   LYS   1          1HE       LYS   1   4.676  14.134  -0.069
   13   1HZ   LYS   1          1HZ       LYS   1   2.515  15.040   1.737
   14   2HZ   LYS   1          2HZ       LYS   1   2.186  14.345   0.231
   15   3HZ   LYS   1          3HZ       LYS   1   3.081  15.778   0.322
   16    HA   PRO   2           HA       PRO   2   4.271   8.603   6.542
   17   1HB   PRO   2          2HB       PRO   2   4.073   6.587   4.606
   18   2HB   PRO   2          1HB       PRO   2   3.108   6.716   6.077
   19   1HG   PRO   2          2HG       PRO   2   2.432   7.514   3.290
   20   2HG   PRO   2          1HG       PRO   2   1.383   6.859   4.560
   21   1HD   PRO   2          2HD       PRO   2   1.332   9.458   3.898
   22   2HD   PRO   2          1HD       PRO   2   1.123   8.927   5.581
   23    H    ASP   3           H        ASP   3   5.934   6.861   5.291
   24    HA   ASP   3           HA       ASP   3   7.506   8.515   3.431
   25   1HB   ASP   3          2HB       ASP   3   9.564   7.766   4.565
   26   2HB   ASP   3          1HB       ASP   3   8.514   8.661   5.657
   27    H    CYS   4           H        CYS   4   9.590   6.770   3.007
   28    HA   CYS   4           HA       CYS   4   8.219   4.580   1.612
   29   1HB   CYS   4          2HB       CYS   4  10.882   4.884   0.664
   30   2HB   CYS   4          1HB       CYS   4   9.380   5.200  -0.193
   31    HA   PRO   5           HA       PRO   5  10.715   1.747   3.939
   32   1HB   PRO   5          2HB       PRO   5  10.169  -0.480   2.500
   33   2HB   PRO   5          1HB       PRO   5   8.965   0.328   3.505
   34   1HG   PRO   5          2HG       PRO   5   9.115   0.158   0.598
   35   2HG   PRO   5          1HG       PRO   5   7.772   0.688   1.618
   36   1HD   PRO   5          2HD       PRO   5   9.747   2.296   0.189
   37   2HD   PRO   5          1HD       PRO   5   8.231   2.809   0.955
   38    H    LEU   6           H        LEU   6  11.982  -0.500   3.091
   39    HA   LEU   6           HA       LEU   6  13.998   0.394   1.144
   40   1HB   LEU   6          2HB       LEU   6  14.576  -0.955   3.785
   41   2HB   LEU   6          1HB       LEU   6  15.766  -0.558   2.561
   42    HG   LEU   6           HG       LEU   6  14.462   1.858   3.129
   43   1HD1  LEU   6          1HD1      LEU   6  14.829   2.042   5.577
   44   2HD1  LEU   6          2HD1      LEU   6  15.067   0.295   5.633
   45   3HD1  LEU   6          3HD1      LEU   6  13.509   0.957   5.137
   46   1HD2  LEU   6          1HD2      LEU   6  16.719   1.921   2.591
   47   2HD2  LEU   6          2HD2      LEU   6  17.135   0.666   3.758
   48   3HD2  LEU   6          3HD2      LEU   6  16.717   2.286   4.316
   49    H    ILE   7           H        ILE   7  12.185  -1.116   0.118
   50    HA   ILE   7           HA       ILE   7  11.797  -3.048  -1.020
   51    HB   ILE   7           HB       ILE   7  14.629  -3.586  -0.146
   52   1HG1  ILE   7          2HG1      ILE   7  13.445  -3.183  -2.899
   53   2HG1  ILE   7          1HG1      ILE   7  14.127  -1.882  -1.927
   54   1HG2  ILE   7          1HG2      ILE   7  12.668  -5.498  -1.099
   55   2HG2  ILE   7          2HG2      ILE   7  14.283  -5.767  -0.444
   56   3HG2  ILE   7          3HG2      ILE   7  14.076  -5.403  -2.158
   57   1HD1  ILE   7          1HD1      ILE   7  15.495  -4.150  -3.288
   58   2HD1  ILE   7          2HD1      ILE   7  16.231  -3.410  -1.866
   59   3HD1  ILE   7          3HD1      ILE   7  15.887  -2.430  -3.291
   60    H    CYS   8           H        CYS   8  10.144  -4.000   0.038
   61    HA   CYS   8           HA       CYS   8  10.600  -5.337   2.556
   62   1HB   CYS   8          2HB       CYS   8   8.403  -4.070   1.413
   63   2HB   CYS   8          1HB       CYS   8   7.962  -5.766   1.522
   64    H    THR   9           H        THR   9   8.518  -6.620  -0.001
   65    HA   THR   9           HA       THR   9  10.198  -8.866  -0.525
   66    HB   THR   9           HB       THR   9   9.608  -9.538   1.684
   67    HG1  THR   9           1HG      THR   9   9.221 -11.448   0.949
   68   1HG2  THR   9          1HG2      THR   9   7.729  -8.147   2.170
   69   2HG2  THR   9          2HG2      THR   9   7.243  -9.829   2.376
   70   3HG2  THR   9          3HG2      THR   9   6.758  -8.942   0.930
   71    H    MET  10           H        MET  10   8.755 -10.731  -1.471
   72    HA   MET  10           HA       MET  10   6.834  -9.478  -3.314
   73   1HB   MET  10          2HB       MET  10   7.393 -11.694  -4.634
   74   2HB   MET  10          1HB       MET  10   8.454 -10.297  -4.731
   75   1HG   MET  10          2HG       MET  10   8.975 -12.329  -2.627
   76   2HG   MET  10          1HG       MET  10   9.389 -12.714  -4.297
   77   1HE   MET  10          1HE       MET  10  12.140 -11.386  -5.317
   78   2HE   MET  10          2HE       MET  10  11.435  -9.770  -5.369
   79   3HE   MET  10          3HE       MET  10  10.451 -11.175  -5.778
   80    H    GLN  11           H        GLN  11   6.689 -10.943  -0.549
   81    HA   GLN  11           HA       GLN  11   5.017 -13.208  -1.040
   82   1HB   GLN  11          2HB       GLN  11   6.423 -12.228   1.150
   83   2HB   GLN  11          1HB       GLN  11   4.739 -11.996   1.597
   84   1HG   GLN  11          2HG       GLN  11   5.956 -14.595   0.692
   85   2HG   GLN  11          1HG       GLN  11   5.633 -14.144   2.364
   86   1HE2  GLN  11          1HE2      GLN  11   4.432 -15.658  -0.360
   87   2HE2  GLN  11          2HE2      GLN  11   2.777 -15.791   0.118
   88    H    TYR  12           H        TYR  12   3.770 -11.835  -2.560
   89    HA   TYR  12           HA       TYR  12   2.194  -9.834  -2.513
   90   1HB   TYR  12          2HB       TYR  12   1.790 -12.480  -3.468
   91   2HB   TYR  12          1HB       TYR  12   0.261 -11.896  -2.821
   92    HD1  TYR  12           1HD      TYR  12   2.861 -11.327  -5.357
   93    HD2  TYR  12           2HD      TYR  12  -0.943 -10.110  -3.891
   94    HE1  TYR  12           1HE      TYR  12   2.483 -10.044  -7.420
   95    HE2  TYR  12           2HE      TYR  12  -1.331  -8.824  -5.951
   96    HH   TYR  12           HH       TYR  12  -0.489  -8.913  -8.364
   97    H    ASP  13           H        ASP  13   1.746  -8.808  -0.648
   98    HA   ASP  13           HA       ASP  13  -0.303 -10.021   1.088
   99   1HB   ASP  13          2HB       ASP  13   2.266  -9.020   1.799
  100   2HB   ASP  13          1HB       ASP  13   1.073  -7.880   2.416
  101    HA   PRO  14           HA       PRO  14  -1.628  -6.273  -1.498
  102   1HB   PRO  14          2HB       PRO  14  -4.169  -7.464  -1.736
  103   2HB   PRO  14          1HB       PRO  14  -2.912  -7.401  -2.974
  104   1HG   PRO  14          2HG       PRO  14  -3.577  -9.578  -1.050
  105   2HG   PRO  14          1HG       PRO  14  -3.020  -9.691  -2.730
  106   1HD   PRO  14          2HD       PRO  14  -1.350 -10.189  -0.716
  107   2HD   PRO  14          1HD       PRO  14  -0.793  -9.284  -2.142
  108    H    VAL  15           H        VAL  15  -2.028  -4.639  -0.213
  109    HA   VAL  15           HA       VAL  15  -4.156  -4.885   1.794
  110    HB   VAL  15           HB       VAL  15  -2.914  -3.116   3.046
  111   1HG1  VAL  15          1HG1      VAL  15  -1.913  -4.701   4.281
  112   2HG1  VAL  15          2HG1      VAL  15  -0.928  -5.259   2.929
  113   3HG1  VAL  15          3HG1      VAL  15  -2.592  -5.819   3.098
  114   1HG2  VAL  15          1HG2      VAL  15  -1.584  -2.483   0.939
  115   2HG2  VAL  15          2HG2      VAL  15  -0.515  -3.807   1.402
  116   3HG2  VAL  15          3HG2      VAL  15  -0.759  -2.445   2.496
  117    H    CYS  16           H        CYS  16  -5.714  -3.450   1.718
  118    HA   CYS  16           HA       CYS  16  -5.829  -1.640  -0.503
  119   1HB   CYS  16          2HB       CYS  16  -7.663  -2.978   1.164
  120   2HB   CYS  16          1HB       CYS  16  -7.942  -1.265   1.360
  121    H    GLY  17           H        GLY  17  -5.039   0.356  -0.472
  122   1HA   GLY  17          2HA       GLY  17  -4.607   1.602   2.150
  123   2HA   GLY  17          1HA       GLY  17  -3.710   1.977   0.690
  124    H    SER  18           H        SER  18  -5.341   3.505   2.690
  125    HA   SER  18           HA       SER  18  -7.669   4.537   1.686
  126   1HB   SER  18          2HB       SER  18  -6.967   5.194   3.881
  127   2HB   SER  18          1HB       SER  18  -5.465   5.877   3.262
  128    HG   SER  18           HG       SER  18  -7.905   6.883   2.322
  129    H    ASP  19           H        ASP  19  -7.732   4.749  -0.398
  130    HA   ASP  19           HA       ASP  19  -7.180   7.105  -1.681
  131   1HB   ASP  19          2HB       ASP  19  -4.763   5.910  -1.333
  132   2HB   ASP  19          1HB       ASP  19  -5.238   5.210  -2.877
  133    H    GLY  20           H        GLY  20  -7.520   3.661  -1.763
  134   1HA   GLY  20          2HA       GLY  20  -9.445   2.707  -2.840
  135   2HA   GLY  20          1HA       GLY  20  -9.268   3.911  -4.109
  136    H    ILE  21           H        ILE  21  -6.575   2.084  -2.708
  137    HA   ILE  21           HA       ILE  21  -6.505   0.488  -5.183
  138    HB   ILE  21           HB       ILE  21  -4.264   2.213  -4.165
  139   1HG1  ILE  21          2HG1      ILE  21  -5.967   3.213  -5.699
  140   2HG1  ILE  21          1HG1      ILE  21  -4.336   3.205  -6.362
  141   1HG2  ILE  21          1HG2      ILE  21  -4.113   0.087  -6.300
  142   2HG2  ILE  21          2HG2      ILE  21  -3.407  -0.032  -4.688
  143   3HG2  ILE  21          3HG2      ILE  21  -2.817   1.184  -5.822
  144   1HD1  ILE  21          1HD1      ILE  21  -6.728   2.083  -7.437
  145   2HD1  ILE  21          2HD1      ILE  21  -5.535   0.807  -7.188
  146   3HD1  ILE  21          3HD1      ILE  21  -5.129   2.216  -8.169
  147    H    THR  22           H        THR  22  -5.632  -1.501  -5.064
  148    HA   THR  22           HA       THR  22  -4.962  -2.504  -2.391
  149    HB   THR  22           HB       THR  22  -5.426  -4.124  -4.900
  150    HG1  THR  22           1HG      THR  22  -7.314  -3.022  -4.551
  151   1HG2  THR  22          1HG2      THR  22  -5.091  -4.761  -2.038
  152   2HG2  THR  22          2HG2      THR  22  -4.639  -5.681  -3.472
  153   3HG2  THR  22          3HG2      THR  22  -6.316  -5.665  -2.928
  154    H    TYR  23           H        TYR  23  -2.854  -2.020  -2.080
  155    HA   TYR  23           HA       TYR  23  -0.908  -2.277  -4.171
  156   1HB   TYR  23          2HB       TYR  23  -0.485  -1.683  -1.242
  157   2HB   TYR  23          1HB       TYR  23   0.624  -1.357  -2.566
  158    HD1  TYR  23           1HD      TYR  23  -0.002   0.341  -4.312
  159    HD2  TYR  23           2HD      TYR  23  -2.276  -0.182  -0.752
  160    HE1  TYR  23           1HE      TYR  23  -1.092   2.515  -4.690
  161    HE2  TYR  23           2HE      TYR  23  -3.362   1.994  -1.119
  162    HH   TYR  23           HH       TYR  23  -3.131   3.992  -2.290
  163    H    GLY  24           H        GLY  24   0.652  -3.736  -4.431
  164   1HA   GLY  24          2HA       GLY  24   0.363  -6.370  -3.880
  165   2HA   GLY  24          1HA       GLY  24   1.942  -5.626  -4.095
  166    H    ASN  25           H        ASN  25   1.559  -3.930  -1.752
  167    HA   ASN  25           HA       ASN  25   1.111  -5.451   0.541
  168   1HB   ASN  25          2HB       ASN  25   3.531  -5.581   1.322
  169   2HB   ASN  25          1HB       ASN  25   3.031  -6.750   0.106
  170   1HD2  ASN  25          1HD2      ASN  25   4.376  -7.019  -1.501
  171   2HD2  ASN  25          2HD2      ASN  25   5.528  -5.868  -2.078
  172    H    ALA  26           H        ALA  26   1.310  -4.272   2.422
  173    HA   ALA  26           HA       ALA  26   0.884  -1.565   2.308
  174   1HB   ALA  26          1HB       ALA  26   0.687  -3.312   4.277
  175   2HB   ALA  26          2HB       ALA  26   0.837  -1.584   4.594
  176   3HB   ALA  26          3HB       ALA  26   2.251  -2.630   4.725
  177    H    CYS  27           H        CYS  27   3.877  -3.306   2.236
  178    HA   CYS  27           HA       CYS  27   5.556  -1.092   2.935
  179   1HB   CYS  27          2HB       CYS  27   5.919  -3.849   1.985
  180   2HB   CYS  27          1HB       CYS  27   7.158  -2.718   1.452
  181    H    MET  28           H        MET  28   4.472  -2.573  -0.065
  182    HA   MET  28           HA       MET  28   5.965  -0.957  -1.811
  183   1HB   MET  28          2HB       MET  28   3.425  -2.549  -2.074
  184   2HB   MET  28          1HB       MET  28   4.054  -1.612  -3.426
  185   1HG   MET  28          2HG       MET  28   6.124  -3.227  -2.221
  186   2HG   MET  28          1HG       MET  28   4.748  -4.213  -2.708
  187   1HE   MET  28          1HE       MET  28   3.612  -3.955  -5.026
  188   2HE   MET  28          2HE       MET  28   4.441  -3.456  -6.500
  189   3HE   MET  28          3HE       MET  28   3.812  -2.241  -5.388
  190    H    LEU  29           H        LEU  29   3.323  -0.332   0.211
  191    HA   LEU  29           HA       LEU  29   2.234   1.853  -1.269
  192   1HB   LEU  29          2HB       LEU  29   1.635   0.426   1.168
  193   2HB   LEU  29          1HB       LEU  29   1.529   2.161   1.416
  194    HG   LEU  29           HG       LEU  29  -0.062   0.433  -0.431
  195   1HD1  LEU  29          1HD1      LEU  29  -0.497   1.854   2.025
  196   2HD1  LEU  29          2HD1      LEU  29  -1.549   0.715   1.185
  197   3HD1  LEU  29          3HD1      LEU  29  -1.597   2.429   0.772
  198   1HD2  LEU  29          1HD2      LEU  29  -0.906   2.970  -0.982
  199   2HD2  LEU  29          2HD2      LEU  29   0.162   2.013  -2.005
  200   3HD2  LEU  29          3HD2      LEU  29   0.839   3.173  -0.876
  201    H    LEU  30           H        LEU  30   4.251   1.564   1.644
  202    HA   LEU  30           HA       LEU  30   4.593   4.241   2.186
  203   1HB   LEU  30          2HB       LEU  30   7.013   2.501   2.308
  204   2HB   LEU  30          1HB       LEU  30   6.423   3.668   3.472
  205    HG   LEU  30           HG       LEU  30   5.488   0.844   3.045
  206   1HD1  LEU  30          1HD1      LEU  30   7.394   1.906   4.693
  207   2HD1  LEU  30          2HD1      LEU  30   6.537   0.390   4.967
  208   3HD1  LEU  30          3HD1      LEU  30   5.973   1.874   5.734
  209   1HD2  LEU  30          1HD2      LEU  30   3.413   1.626   3.427
  210   2HD2  LEU  30          2HD2      LEU  30   3.998   3.167   4.055
  211   3HD2  LEU  30          3HD2      LEU  30   3.968   1.746   5.097
  212    H    GLY  31           H        GLY  31   6.013   2.251  -0.321
  213   1HA   GLY  31          2HA       GLY  31   7.887   4.232  -1.222
  214   2HA   GLY  31          1HA       GLY  31   7.350   2.816  -2.127
  215    H    ALA  32           H        ALA  32   4.567   3.408  -1.870
  216    HA   ALA  32           HA       ALA  32   4.233   5.096  -4.133
  217   1HB   ALA  32          1HB       ALA  32   2.397   3.607  -2.307
  218   2HB   ALA  32          2HB       ALA  32   2.669   3.397  -4.037
  219   3HB   ALA  32          3HB       ALA  32   1.746   4.780  -3.451
  220    H    SER  33           H        SER  33   2.951   5.378  -0.814
  221    HA   SER  33           HA       SER  33   1.969   7.943  -0.982
  222   1HB   SER  33          2HB       SER  33   2.070   6.177   1.017
  223   2HB   SER  33          1HB       SER  33   3.403   7.212   1.530
  224    HG   SER  33           HG       SER  33   0.973   7.658   2.073
  225    H    CYS  34           H        CYS  34   5.242   6.852  -0.784
  226    HA   CYS  34           HA       CYS  34   6.388   9.370  -0.079
  227   1HB   CYS  34          2HB       CYS  34   7.320   6.704  -0.497
  228   2HB   CYS  34          1HB       CYS  34   8.298   7.798  -1.468
  229    H    ARG  35           H        ARG  35   5.577   7.802  -3.119
  230    HA   ARG  35           HA       ARG  35   6.022  10.317  -4.493
  231   1HB   ARG  35          2HB       ARG  35   7.266   8.727  -6.301
  232   2HB   ARG  35          1HB       ARG  35   8.103   9.730  -5.126
  233   1HG   ARG  35          2HG       ARG  35   9.102   7.914  -4.355
  234   2HG   ARG  35          1HG       ARG  35   7.539   7.303  -3.820
  235   1HD   ARG  35          2HD       ARG  35   9.109   6.648  -6.249
  236   2HD   ARG  35          1HD       ARG  35   8.195   5.589  -5.177
  237    HE   ARG  35           HE       ARG  35   6.203   6.875  -6.285
  238   1HH1  ARG  35          1HH1      ARG  35   9.110   5.702  -7.820
  239   2HH1  ARG  35          2HH1      ARG  35   8.356   5.485  -9.363
  240   1HH2  ARG  35          1HH2      ARG  35   5.210   6.584  -8.309
  241   2HH2  ARG  35          2HH2      ARG  35   6.139   5.976  -9.639
  242    H    SER  36           H        SER  36   3.594   9.420  -4.155
  243    HA   SER  36           HA       SER  36   2.860   7.951  -6.592
  244   1HB   SER  36          2HB       SER  36   2.161   7.059  -4.308
  245   2HB   SER  36          1HB       SER  36   1.067   8.437  -4.219
  246    HG   SER  36           HG       SER  36  -0.234   7.146  -5.261
  247    H    ASP  37           H        ASP  37   1.168  10.282  -4.518
  248    HA   ASP  37           HA       ASP  37   1.071  12.355  -6.427
  249   1HB   ASP  37          2HB       ASP  37  -0.506  10.405  -7.305
  250   2HB   ASP  37          1HB       ASP  37  -1.640  11.141  -6.177
  251    H    THR  38           H        THR  38  -0.472  10.771  -3.692
  252    HA   THR  38           HA       THR  38  -0.604  13.331  -2.312
  253    HB   THR  38           HB       THR  38  -3.041  12.070  -1.674
  254    HG1  THR  38           1HG      THR  38  -2.631  11.032  -3.799
  255   1HG2  THR  38          1HG2      THR  38  -3.931  14.092  -2.031
  256   2HG2  THR  38          2HG2      THR  38  -3.180  14.259  -3.618
  257   3HG2  THR  38          3HG2      THR  38  -2.246  14.600  -2.160
  258    HA   PRO  39           HA       PRO  39   0.227  10.995   1.330
  259   1HB   PRO  39          2HB       PRO  39  -1.514  11.891   3.205
  260   2HB   PRO  39          1HB       PRO  39  -0.175  12.872   2.601
  261   1HG   PRO  39          2HG       PRO  39  -3.069  12.950   1.854
  262   2HG   PRO  39          1HG       PRO  39  -1.941  14.293   2.114
  263   1HD   PRO  39          2HD       PRO  39  -2.641  13.383  -0.357
  264   2HD   PRO  39          1HD       PRO  39  -1.074  14.137  -0.007
  265    H    ILE  40           H        ILE  40  -0.368   8.911   0.578
  266    HA   ILE  40           HA       ILE  40  -3.071   7.968   0.931
  267    HB   ILE  40           HB       ILE  40  -2.095   5.772   0.229
  268   1HG1  ILE  40          2HG1      ILE  40   0.399   7.426  -0.174
  269   2HG1  ILE  40          1HG1      ILE  40   0.193   6.182   1.053
  270   1HG2  ILE  40          1HG2      ILE  40  -2.934   7.781  -1.267
  271   2HG2  ILE  40          2HG2      ILE  40  -2.263   6.312  -1.977
  272   3HG2  ILE  40          3HG2      ILE  40  -1.257   7.751  -1.814
  273   1HD1  ILE  40          1HD1      ILE  40  -0.410   4.784  -1.166
  274   2HD1  ILE  40          2HD1      ILE  40   1.204   4.900  -0.467
  275   3HD1  ILE  40          3HD1      ILE  40   0.753   5.943  -1.815
  276    H    GLU  41           H        GLU  41  -3.430   5.852   2.086
  277    HA   GLU  41           HA       GLU  41  -1.694   5.390   4.383
  278   1HB   GLU  41          2HB       GLU  41  -4.374   6.653   4.555
  279   2HB   GLU  41          1HB       GLU  41  -4.004   5.417   5.750
  280   1HG   GLU  41          2HG       GLU  41  -2.216   7.770   5.212
  281   2HG   GLU  41          1HG       GLU  41  -3.500   7.785   6.421
  282    H    LEU  42           H        LEU  42  -3.032   3.656   5.865
  283    HA   LEU  42           HA       LEU  42  -3.873   1.559   3.971
  284   1HB   LEU  42          2HB       LEU  42  -1.854   1.524   5.948
  285   2HB   LEU  42          1HB       LEU  42  -3.142   0.484   6.527
  286    HG   LEU  42           HG       LEU  42  -1.449  -0.775   5.271
  287   1HD1  LEU  42          1HD1      LEU  42  -3.121  -2.132   4.773
  288   2HD1  LEU  42          2HD1      LEU  42  -3.442  -1.194   3.314
  289   3HD1  LEU  42          3HD1      LEU  42  -4.255  -0.782   4.824
  290   1HD2  LEU  42          1HD2      LEU  42  -0.567   0.705   3.711
  291   2HD2  LEU  42          2HD2      LEU  42  -2.159   1.191   3.130
  292   3HD2  LEU  42          3HD2      LEU  42  -1.523  -0.405   2.729
  293    H    VAL  43           H        VAL  43  -5.729   0.412   4.353
  294    HA   VAL  43           HA       VAL  43  -7.301   1.235   6.706
  295    HB   VAL  43           HB       VAL  43  -8.827   0.330   4.355
  296   1HG1  VAL  43          1HG1      VAL  43  -9.684   1.232   6.587
  297   2HG1  VAL  43          2HG1      VAL  43 -10.411   1.882   5.116
  298   3HG1  VAL  43          3HG1      VAL  43  -9.200   2.819   5.990
  299   1HG2  VAL  43          1HG2      VAL  43  -8.648   2.377   3.118
  300   2HG2  VAL  43          2HG2      VAL  43  -7.028   1.709   3.323
  301   3HG2  VAL  43          3HG2      VAL  43  -7.556   3.064   4.322
  302    H    HIS  44           H        HIS  44  -6.866  -1.311   4.275
  303    HA   HIS  44           HA       HIS  44  -7.461  -3.297   6.352
  304   1HB   HIS  44          2HB       HIS  44  -8.417  -4.053   3.682
  305   2HB   HIS  44          1HB       HIS  44  -9.193  -4.239   5.253
  306    HD1  HIS  44           1HD      HIS  44 -10.256  -1.876   6.202
  307    HD2  HIS  44           2HD      HIS  44  -9.581  -2.182   2.114
  308    HE1  HIS  44           1HE      HIS  44 -11.654  -0.070   5.153
  309    HE2  HIS  44           2HE      HIS  44 -11.206  -0.251   2.681
  310    H    LYS  45           H        LYS  45  -6.106  -5.000   6.371
  311    HA   LYS  45           HA       LYS  45  -3.911  -4.988   4.479
  312   1HB   LYS  45          2HB       LYS  45  -3.051  -6.861   5.959
  313   2HB   LYS  45          1HB       LYS  45  -3.229  -5.287   6.721
  314   1HG   LYS  45          2HG       LYS  45  -5.141  -5.957   7.907
  315   2HG   LYS  45          1HG       LYS  45  -5.360  -7.393   6.903
  316   1HD   LYS  45          2HD       LYS  45  -3.008  -8.049   7.813
  317   2HD   LYS  45          1HD       LYS  45  -3.377  -6.886   9.086
  318   1HE   LYS  45          2HE       LYS  45  -5.578  -8.156   9.362
  319   2HE   LYS  45          1HE       LYS  45  -4.835  -9.416   8.377
  320   1HZ   LYS  45          1HZ       LYS  45  -3.387  -9.976  10.017
  321   2HZ   LYS  45          2HZ       LYS  45  -4.655  -9.420  10.987
  322   3HZ   LYS  45          3HZ       LYS  45  -3.327  -8.419  10.677
  323    H    GLY  46           H        GLY  46  -5.668  -5.561   2.798
  324   1HA   GLY  46          2HA       GLY  46  -5.182  -8.157   1.872
  325   2HA   GLY  46          1HA       GLY  46  -6.744  -8.160   2.678
  326    H    ARG  47           H        ARG  47  -7.867  -8.573   0.765
  327    HA   ARG  47           HA       ARG  47  -7.650  -6.648  -1.410
  328   1HB   ARG  47          2HB       ARG  47  -9.696  -8.827  -1.387
  329   2HB   ARG  47          1HB       ARG  47  -8.779  -8.168  -2.735
  330   1HG   ARG  47          2HG       ARG  47  -6.880  -9.424  -2.207
  331   2HG   ARG  47          1HG       ARG  47  -7.465  -9.786  -0.582
  332   1HD   ARG  47          2HD       ARG  47  -9.363 -10.702  -2.523
  333   2HD   ARG  47          1HD       ARG  47  -7.765 -11.332  -2.916
  334    HE   ARG  47           HE       ARG  47  -7.784 -12.565  -0.950
  335   1HH1  ARG  47          1HH1      ARG  47 -10.575 -10.482  -1.126
  336   2HH1  ARG  47          2HH1      ARG  47 -11.408 -11.278   0.167
  337   1HH2  ARG  47          1HH2      ARG  47  -8.873 -13.611   0.757
  338   2HH2  ARG  47          2HH2      ARG  47 -10.441 -13.055   1.237
  339    H    CYS  48           H        CYS  48  -8.459  -5.240   0.657
  340    HA   CYS  48           HA       CYS  48 -10.109  -3.960   1.575
  341   1HB   CYS  48          2HB       CYS  48 -10.510  -4.081  -1.304
  342   2HB   CYS  48          1HB       CYS  48 -11.998  -3.715  -0.439
  Start of MODEL    2
    1   1H    LYS   1          1HT       LYS   1   5.828  13.459   7.280
    2   2H    LYS   1          2HT       LYS   1   6.712  11.997   7.452
    3   3H    LYS   1          3HT       LYS   1   4.997  11.964   7.400
    4    HA   LYS   1           HA       LYS   1   4.917  12.481   5.186
    5   1HB   LYS   1          2HB       LYS   1   6.604  13.550   3.998
    6   2HB   LYS   1          1HB       LYS   1   6.795  14.241   5.604
    7   1HG   LYS   1          2HG       LYS   1   8.618  12.680   6.061
    8   2HG   LYS   1          1HG       LYS   1   8.426  11.984   4.451
    9   1HD   LYS   1          2HD       LYS   1   8.964  14.912   4.868
   10   2HD   LYS   1          1HD       LYS   1  10.268  13.727   4.768
   11   1HE   LYS   1          2HE       LYS   1  10.181  14.102   2.562
   12   2HE   LYS   1          1HE       LYS   1   8.748  13.074   2.598
   13   1HZ   LYS   1          1HZ       LYS   1   8.893  16.025   2.542
   14   2HZ   LYS   1          2HZ       LYS   1   7.492  15.223   3.048
   15   3HZ   LYS   1          3HZ       LYS   1   8.080  14.987   1.480
   16    HA   PRO   2           HA       PRO   2   5.989   8.180   4.697
   17   1HB   PRO   2          2HB       PRO   2   4.949   7.897   2.186
   18   2HB   PRO   2          1HB       PRO   2   3.972   7.883   3.657
   19   1HG   PRO   2          2HG       PRO   2   4.459  10.115   1.727
   20   2HG   PRO   2          1HG       PRO   2   2.951   9.633   2.526
   21   1HD   PRO   2          2HD       PRO   2   4.428  11.727   3.377
   22   2HD   PRO   2          1HD       PRO   2   3.508  10.701   4.497
   23    H    ASP   3           H        ASP   3   6.752   6.940   2.468
   24    HA   ASP   3           HA       ASP   3   8.481   8.275   0.722
   25   1HB   ASP   3          2HB       ASP   3   9.880   8.811   2.592
   26   2HB   ASP   3          1HB       ASP   3   9.794   7.162   3.204
   27    H    CYS   4           H        CYS   4   9.985   6.724  -0.414
   28    HA   CYS   4           HA       CYS   4   8.616   4.155  -0.689
   29   1HB   CYS   4          2HB       CYS   4  10.839   4.552  -2.515
   30   2HB   CYS   4          1HB       CYS   4   9.140   4.294  -2.878
   31    HA   PRO   5           HA       PRO   5  11.898   2.137   1.516
   32   1HB   PRO   5          2HB       PRO   5  11.090  -0.397   1.168
   33   2HB   PRO   5          1HB       PRO   5  10.198   0.724   2.205
   34   1HG   PRO   5          2HG       PRO   5   9.619  -0.122  -0.607
   35   2HG   PRO   5          1HG       PRO   5   8.500   0.076   0.754
   36   1HD   PRO   5          2HD       PRO   5   8.855   1.951  -1.211
   37   2HD   PRO   5          1HD       PRO   5   8.327   2.339   0.438
   38    H    LEU   6           H        LEU   6  13.092  -0.168   0.974
   39    HA   LEU   6           HA       LEU   6  14.054   0.048  -1.798
   40   1HB   LEU   6          2HB       LEU   6  16.252  -0.886  -0.545
   41   2HB   LEU   6          1HB       LEU   6  15.966   0.807  -0.894
   42    HG   LEU   6           HG       LEU   6  14.753   0.318   1.602
   43   1HD1  LEU   6          1HD1      LEU   6  17.568  -0.467   1.965
   44   2HD1  LEU   6          2HD1      LEU   6  16.498  -1.705   1.307
   45   3HD1  LEU   6          3HD1      LEU   6  16.127  -0.951   2.858
   46   1HD2  LEU   6          1HD2      LEU   6  17.412   1.611   1.014
   47   2HD2  LEU   6          2HD2      LEU   6  16.354   1.924   2.389
   48   3HD2  LEU   6          3HD2      LEU   6  15.848   2.387   0.765
   49    H    ILE   7           H        ILE   7  12.239  -1.651  -1.774
   50    HA   ILE   7           HA       ILE   7  11.712  -3.813  -2.256
   51    HB   ILE   7           HB       ILE   7  14.630  -4.344  -1.726
   52   1HG1  ILE   7          2HG1      ILE   7  14.119  -4.620  -4.441
   53   2HG1  ILE   7          1HG1      ILE   7  13.183  -3.202  -3.981
   54   1HG2  ILE   7          1HG2      ILE   7  14.331  -6.511  -2.234
   55   2HG2  ILE   7          2HG2      ILE   7  13.135  -6.154  -3.481
   56   3HG2  ILE   7          3HG2      ILE   7  12.652  -6.205  -1.786
   57   1HD1  ILE   7          1HD1      ILE   7  15.970  -3.339  -3.010
   58   2HD1  ILE   7          2HD1      ILE   7  15.022  -1.958  -3.563
   59   3HD1  ILE   7          3HD1      ILE   7  15.725  -3.072  -4.736
   60    H    CYS   8           H        CYS   8  10.353  -4.119  -0.514
   61    HA   CYS   8           HA       CYS   8  11.394  -4.802   2.069
   62   1HB   CYS   8          2HB       CYS   8   8.961  -3.813   1.104
   63   2HB   CYS   8          1HB       CYS   8   8.603  -5.363   1.851
   64    H    THR   9           H        THR   9   8.795  -6.629   0.524
   65    HA   THR   9           HA       THR   9  10.431  -9.022   0.459
   66    HB   THR   9           HB       THR   9   9.704  -8.950   2.796
   67    HG1  THR   9           1HG      THR   9   8.355 -10.975   2.642
   68   1HG2  THR   9          1HG2      THR   9   7.561  -8.770   3.538
   69   2HG2  THR   9          2HG2      THR   9   6.869  -9.381   2.036
   70   3HG2  THR   9          3HG2      THR   9   7.483  -7.730   2.118
   71    H    MET  10           H        MET  10   9.007 -10.968  -0.178
   72    HA   MET  10           HA       MET  10   7.220 -10.056  -2.323
   73   1HB   MET  10          2HB       MET  10   8.358 -12.829  -2.103
   74   2HB   MET  10          1HB       MET  10   7.772 -11.993  -3.534
   75   1HG   MET  10          2HG       MET  10  10.023 -11.891  -3.873
   76   2HG   MET  10          1HG       MET  10   9.754 -10.366  -3.030
   77   1HE   MET  10          1HE       MET  10  11.764 -14.131  -1.313
   78   2HE   MET  10          2HE       MET  10  11.532 -13.789  -3.029
   79   3HE   MET  10          3HE       MET  10  10.143 -14.159  -2.008
   80    H    GLN  11           H        GLN  11   6.679 -10.657   0.646
   81    HA   GLN  11           HA       GLN  11   4.909 -12.907   0.631
   82   1HB   GLN  11          2HB       GLN  11   5.438 -10.677   2.584
   83   2HB   GLN  11          1HB       GLN  11   4.138 -11.832   2.844
   84   1HG   GLN  11          2HG       GLN  11   5.739 -13.660   2.834
   85   2HG   GLN  11          1HG       GLN  11   7.051 -12.524   2.529
   86   1HE2  GLN  11          1HE2      GLN  11   5.813 -14.351   4.836
   87   2HE2  GLN  11          2HE2      GLN  11   6.149 -13.397   6.237
   88    H    TYR  12           H        TYR  12   4.059 -11.802  -1.473
   89    HA   TYR  12           HA       TYR  12   2.537  -9.747  -1.924
   90   1HB   TYR  12          2HB       TYR  12   2.423 -12.436  -2.812
   91   2HB   TYR  12          1HB       TYR  12   0.771 -11.892  -2.539
   92    HD1  TYR  12           1HD      TYR  12  -0.319 -10.752  -4.235
   93    HD2  TYR  12           2HD      TYR  12   3.935 -10.753  -4.161
   94    HE1  TYR  12           1HE      TYR  12  -0.287  -9.551  -6.381
   95    HE2  TYR  12           2HE      TYR  12   3.980  -9.552  -6.306
   96    HH   TYR  12           HH       TYR  12   0.997  -8.453  -7.859
   97    H    ASP  13           H        ASP  13   1.715  -8.676  -0.195
   98    HA   ASP  13           HA       ASP  13  -0.702  -9.844   1.011
   99   1HB   ASP  13          2HB       ASP  13   1.617  -8.997   2.353
  100   2HB   ASP  13          1HB       ASP  13   0.440  -7.711   2.605
  101    HA   PRO  14           HA       PRO  14  -1.534  -6.120  -1.757
  102   1HB   PRO  14          2HB       PRO  14  -4.063  -7.230  -2.302
  103   2HB   PRO  14          1HB       PRO  14  -2.650  -7.270  -3.358
  104   1HG   PRO  14          2HG       PRO  14  -3.663  -9.341  -1.467
  105   2HG   PRO  14          1HG       PRO  14  -2.901  -9.544  -3.055
  106   1HD   PRO  14          2HD       PRO  14  -1.533 -10.028  -0.822
  107   2HD   PRO  14          1HD       PRO  14  -0.752  -9.212  -2.196
  108    H    VAL  15           H        VAL  15  -1.724  -4.711  -0.021
  109    HA   VAL  15           HA       VAL  15  -4.186  -4.838   1.559
  110    HB   VAL  15           HB       VAL  15  -3.080  -3.468   3.171
  111   1HG1  VAL  15          1HG1      VAL  15  -0.716  -5.056   2.797
  112   2HG1  VAL  15          2HG1      VAL  15  -2.165  -6.003   2.456
  113   3HG1  VAL  15          3HG1      VAL  15  -1.981  -5.202   4.018
  114   1HG2  VAL  15          1HG2      VAL  15  -0.855  -2.555   2.871
  115   2HG2  VAL  15          2HG2      VAL  15  -1.931  -1.975   1.601
  116   3HG2  VAL  15          3HG2      VAL  15  -0.769  -3.255   1.255
  117    H    CYS  16           H        CYS  16  -5.680  -3.379   1.374
  118    HA   CYS  16           HA       CYS  16  -5.510  -1.391  -0.684
  119   1HB   CYS  16          2HB       CYS  16  -7.544  -2.782   0.695
  120   2HB   CYS  16          1HB       CYS  16  -7.791  -1.078   0.976
  121    H    GLY  17           H        GLY  17  -4.751   0.597  -0.418
  122   1HA   GLY  17          2HA       GLY  17  -4.458   1.563   2.330
  123   2HA   GLY  17          1HA       GLY  17  -3.490   2.080   0.961
  124    H    SER  18           H        SER  18  -5.112   3.477   3.016
  125    HA   SER  18           HA       SER  18  -7.410   4.648   2.103
  126   1HB   SER  18          2HB       SER  18  -5.197   6.151   3.521
  127   2HB   SER  18          1HB       SER  18  -6.927   6.494   3.570
  128    HG   SER  18           HG       SER  18  -6.893   5.272   5.278
  129    H    ASP  19           H        ASP  19  -7.457   4.944   0.003
  130    HA   ASP  19           HA       ASP  19  -6.863   7.334  -1.178
  131   1HB   ASP  19          2HB       ASP  19  -4.464   6.012  -0.855
  132   2HB   ASP  19          1HB       ASP  19  -4.922   5.556  -2.492
  133    H    GLY  20           H        GLY  20  -7.202   3.895  -1.415
  134   1HA   GLY  20          2HA       GLY  20  -9.119   3.007  -2.572
  135   2HA   GLY  20          1HA       GLY  20  -8.896   4.256  -3.789
  136    H    ILE  21           H        ILE  21  -6.263   2.333  -2.408
  137    HA   ILE  21           HA       ILE  21  -6.175   0.805  -4.919
  138    HB   ILE  21           HB       ILE  21  -3.919   2.474  -3.845
  139   1HG1  ILE  21          2HG1      ILE  21  -5.628   3.582  -5.287
  140   2HG1  ILE  21          1HG1      ILE  21  -4.013   3.583  -5.988
  141   1HG2  ILE  21          1HG2      ILE  21  -2.683   1.512  -5.865
  142   2HG2  ILE  21          2HG2      ILE  21  -3.907   0.243  -5.853
  143   3HG2  ILE  21          3HG2      ILE  21  -2.860   0.471  -4.453
  144   1HD1  ILE  21          1HD1      ILE  21  -6.428   2.623  -7.102
  145   2HD1  ILE  21          2HD1      ILE  21  -5.346   1.249  -6.877
  146   3HD1  ILE  21          3HD1      ILE  21  -4.815   2.645  -7.816
  147    H    THR  22           H        THR  22  -5.375  -1.214  -4.799
  148    HA   THR  22           HA       THR  22  -4.718  -2.236  -2.138
  149    HB   THR  22           HB       THR  22  -5.549  -3.556  -4.718
  150    HG1  THR  22           1HG      THR  22  -7.327  -4.086  -3.581
  151   1HG2  THR  22          1HG2      THR  22  -5.501  -5.508  -2.724
  152   2HG2  THR  22          2HG2      THR  22  -3.919  -4.730  -2.674
  153   3HG2  THR  22          3HG2      THR  22  -4.511  -5.430  -4.182
  154    H    TYR  23           H        TYR  23  -2.615  -1.849  -1.751
  155    HA   TYR  23           HA       TYR  23  -0.623  -2.122  -3.805
  156   1HB   TYR  23          2HB       TYR  23  -0.230  -1.587  -0.865
  157   2HB   TYR  23          1HB       TYR  23   0.882  -1.229  -2.181
  158    HD1  TYR  23           1HD      TYR  23   0.537   0.697  -3.614
  159    HD2  TYR  23           2HD      TYR  23  -2.300  -0.301  -0.607
  160    HE1  TYR  23           1HE      TYR  23  -0.570   2.867  -3.943
  161    HE2  TYR  23           2HE      TYR  23  -3.411   1.865  -0.918
  162    HH   TYR  23           HH       TYR  23  -2.687   3.936  -3.566
  163    H    GLY  24           H        GLY  24   0.900  -3.601  -4.013
  164   1HA   GLY  24          2HA       GLY  24   0.475  -6.245  -3.391
  165   2HA   GLY  24          1HA       GLY  24   2.055  -5.576  -3.771
  166    H    ASN  25           H        ASN  25   1.685  -3.786  -1.356
  167    HA   ASN  25           HA       ASN  25   1.529  -5.315   0.960
  168   1HB   ASN  25          2HB       ASN  25   4.200  -5.260  -0.351
  169   2HB   ASN  25          1HB       ASN  25   4.148  -5.103   1.400
  170   1HD2  ASN  25          1HD2      ASN  25   5.188  -7.241  -0.319
  171   2HD2  ASN  25          2HD2      ASN  25   4.382  -8.684   0.187
  172    H    ALA  26           H        ALA  26   1.942  -4.123   2.849
  173    HA   ALA  26           HA       ALA  26   1.395  -1.422   2.753
  174   1HB   ALA  26          1HB       ALA  26   3.057  -2.545   4.979
  175   2HB   ALA  26          2HB       ALA  26   1.385  -3.060   4.761
  176   3HB   ALA  26          3HB       ALA  26   1.753  -1.360   5.049
  177    H    CYS  27           H        CYS  27   4.402  -3.113   2.436
  178    HA   CYS  27           HA       CYS  27   6.111  -0.842   2.788
  179   1HB   CYS  27          2HB       CYS  27   6.494  -3.618   1.690
  180   2HB   CYS  27          1HB       CYS  27   7.756  -2.406   1.538
  181    H    MET  28           H        MET  28   4.741  -2.594   0.056
  182    HA   MET  28           HA       MET  28   5.976  -1.074  -1.969
  183   1HB   MET  28          2HB       MET  28   3.388  -2.643  -1.946
  184   2HB   MET  28          1HB       MET  28   4.174  -2.031  -3.397
  185   1HG   MET  28          2HG       MET  28   6.146  -3.456  -2.007
  186   2HG   MET  28          1HG       MET  28   4.688  -4.441  -1.922
  187   1HE   MET  28          1HE       MET  28   7.836  -4.071  -4.050
  188   2HE   MET  28          2HE       MET  28   7.304  -5.548  -4.856
  189   3HE   MET  28          3HE       MET  28   7.213  -5.420  -3.099
  190    H    LEU  29           H        LEU  29   3.463  -0.486   0.244
  191    HA   LEU  29           HA       LEU  29   2.007   1.464  -1.172
  192   1HB   LEU  29          2HB       LEU  29   1.900   0.200   1.341
  193   2HB   LEU  29          1HB       LEU  29   1.986   1.928   1.650
  194    HG   LEU  29           HG       LEU  29  -0.062   0.439   0.061
  195   1HD1  LEU  29          1HD1      LEU  29  -1.406   0.746   1.800
  196   2HD1  LEU  29          2HD1      LEU  29  -0.913   2.428   1.987
  197   3HD1  LEU  29          3HD1      LEU  29   0.052   1.140   2.709
  198   1HD2  LEU  29          1HD2      LEU  29   0.608   3.358   0.095
  199   2HD2  LEU  29          2HD2      LEU  29  -1.015   2.793  -0.280
  200   3HD2  LEU  29          3HD2      LEU  29   0.344   2.306  -1.289
  201    H    LEU  30           H        LEU  30   4.359   1.825   1.486
  202    HA   LEU  30           HA       LEU  30   4.546   4.563   1.472
  203   1HB   LEU  30          2HB       LEU  30   7.145   3.154   1.636
  204   2HB   LEU  30          1HB       LEU  30   6.454   4.360   2.704
  205    HG   LEU  30           HG       LEU  30   5.924   1.407   2.662
  206   1HD1  LEU  30          1HD1      LEU  30   7.491   1.436   4.232
  207   2HD1  LEU  30          2HD1      LEU  30   6.378   2.361   5.242
  208   3HD1  LEU  30          3HD1      LEU  30   7.547   3.200   4.222
  209   1HD2  LEU  30          1HD2      LEU  30   4.535   3.068   4.658
  210   2HD2  LEU  30          2HD2      LEU  30   3.992   1.622   3.812
  211   3HD2  LEU  30          3HD2      LEU  30   3.922   3.190   3.010
  212    H    GLY  31           H        GLY  31   5.833   2.233  -0.773
  213   1HA   GLY  31          2HA       GLY  31   7.441   4.125  -2.222
  214   2HA   GLY  31          1HA       GLY  31   6.971   2.519  -2.774
  215    H    ALA  32           H        ALA  32   4.188   2.846  -2.440
  216    HA   ALA  32           HA       ALA  32   3.517   4.062  -4.916
  217   1HB   ALA  32          1HB       ALA  32   1.194   3.696  -3.327
  218   2HB   ALA  32          2HB       ALA  32   2.281   2.338  -3.034
  219   3HB   ALA  32          3HB       ALA  32   1.768   2.718  -4.678
  220    H    SER  33           H        SER  33   2.675   4.892  -1.554
  221    HA   SER  33           HA       SER  33   1.355   7.287  -2.108
  222   1HB   SER  33          2HB       SER  33   0.976   7.081   0.083
  223   2HB   SER  33          1HB       SER  33   2.220   5.839   0.200
  224    HG   SER  33           HG       SER  33   2.313   8.501   0.885
  225    H    CYS  34           H        CYS  34   4.761   6.564  -1.997
  226    HA   CYS  34           HA       CYS  34   5.591   9.290  -1.641
  227   1HB   CYS  34          2HB       CYS  34   7.767   8.516  -1.716
  228   2HB   CYS  34          1HB       CYS  34   6.912   7.080  -1.168
  229    H    ARG  35           H        ARG  35   4.892   7.214  -4.354
  230    HA   ARG  35           HA       ARG  35   5.665   9.379  -6.199
  231   1HB   ARG  35          2HB       ARG  35   5.211   7.355  -7.885
  232   2HB   ARG  35          1HB       ARG  35   6.766   7.604  -7.105
  233   1HG   ARG  35          2HG       ARG  35   6.563   5.774  -5.804
  234   2HG   ARG  35          1HG       ARG  35   4.817   5.953  -5.632
  235   1HD   ARG  35          2HD       ARG  35   5.932   5.216  -8.285
  236   2HD   ARG  35          1HD       ARG  35   5.847   3.989  -7.023
  237    HE   ARG  35           HE       ARG  35   3.364   5.271  -7.187
  238   1HH1  ARG  35          1HH1      ARG  35   5.393   3.159  -9.070
  239   2HH1  ARG  35          2HH1      ARG  35   4.068   2.391  -9.877
  240   1HH2  ARG  35          1HH2      ARG  35   1.611   4.271  -8.248
  241   2HH2  ARG  35          2HH2      ARG  35   1.915   3.025  -9.411
  242    H    SER  36           H        SER  36   3.087   8.688  -4.550
  243    HA   SER  36           HA       SER  36   1.118   8.525  -6.669
  244   1HB   SER  36          2HB       SER  36   0.731   7.271  -4.621
  245   2HB   SER  36          1HB       SER  36   0.816   8.746  -3.666
  246    HG   SER  36           HG       SER  36  -1.179   9.165  -4.171
  247    H    ASP  37           H        ASP  37   0.551  10.544  -3.876
  248    HA   ASP  37           HA       ASP  37   1.136  13.049  -4.992
  249   1HB   ASP  37          2HB       ASP  37  -0.967  11.971  -6.329
  250   2HB   ASP  37          1HB       ASP  37  -1.809  12.814  -5.033
  251    H    THR  38           H        THR  38  -0.931  11.153  -2.880
  252    HA   THR  38           HA       THR  38  -0.650  13.251  -0.837
  253    HB   THR  38           HB       THR  38  -2.997  12.922  -1.977
  254    HG1  THR  38           1HG      THR  38  -2.407  14.152  -0.022
  255   1HG2  THR  38          1HG2      THR  38  -4.457  11.389  -0.873
  256   2HG2  THR  38          2HG2      THR  38  -3.151  10.821   0.167
  257   3HG2  THR  38          3HG2      THR  38  -3.110  10.484  -1.564
  258    HA   PRO  39           HA       PRO  39   0.861  10.209   1.941
  259   1HB   PRO  39          2HB       PRO  39  -1.039  11.155   4.002
  260   2HB   PRO  39          1HB       PRO  39   0.727  11.135   4.024
  261   1HG   PRO  39          2HG       PRO  39  -0.626  13.423   3.740
  262   2HG   PRO  39          1HG       PRO  39   0.896  13.139   2.875
  263   1HD   PRO  39          2HD       PRO  39  -1.920  12.980   1.863
  264   2HD   PRO  39          1HD       PRO  39  -0.474  13.643   1.072
  265    H    ILE  40           H        ILE  40  -0.046   8.384   0.868
  266    HA   ILE  40           HA       ILE  40  -2.677   7.439   1.418
  267    HB   ILE  40           HB       ILE  40  -0.334   5.814   0.431
  268   1HG1  ILE  40          2HG1      ILE  40  -2.235   7.634  -1.046
  269   2HG1  ILE  40          1HG1      ILE  40  -0.476   7.703  -1.020
  270   1HG2  ILE  40          1HG2      ILE  40  -2.004   4.294   0.882
  271   2HG2  ILE  40          2HG2      ILE  40  -2.334   4.693  -0.802
  272   3HG2  ILE  40          3HG2      ILE  40  -3.294   5.428   0.482
  273   1HD1  ILE  40          1HD1      ILE  40  -1.168   5.156  -1.983
  274   2HD1  ILE  40          2HD1      ILE  40  -0.444   6.499  -2.868
  275   3HD1  ILE  40          3HD1      ILE  40  -2.198   6.320  -2.816
  276    H    GLU  41           H        GLU  41  -3.316   5.658   2.706
  277    HA   GLU  41           HA       GLU  41  -1.341   4.789   4.720
  278   1HB   GLU  41          2HB       GLU  41  -4.153   5.208   5.606
  279   2HB   GLU  41          1HB       GLU  41  -2.659   5.324   6.524
  280   1HG   GLU  41          2HG       GLU  41  -2.165   7.462   5.562
  281   2HG   GLU  41          1HG       GLU  41  -3.545   7.334   4.471
  282    H    LEU  42           H        LEU  42  -2.660   3.029   6.180
  283    HA   LEU  42           HA       LEU  42  -3.592   1.062   4.205
  284   1HB   LEU  42          2HB       LEU  42  -1.781   0.849   6.369
  285   2HB   LEU  42          1HB       LEU  42  -3.198  -0.090   6.799
  286    HG   LEU  42           HG       LEU  42  -1.526  -1.489   5.698
  287   1HD1  LEU  42          1HD1      LEU  42  -3.332  -1.606   3.505
  288   2HD1  LEU  42          2HD1      LEU  42  -4.239  -1.225   4.968
  289   3HD1  LEU  42          3HD1      LEU  42  -3.223  -2.665   4.911
  290   1HD2  LEU  42          1HD2      LEU  42  -0.300  -0.698   4.032
  291   2HD2  LEU  42          2HD2      LEU  42  -1.278   0.768   3.985
  292   3HD2  LEU  42          3HD2      LEU  42  -1.740  -0.632   3.015
  293    H    VAL  43           H        VAL  43  -5.620   0.284   4.258
  294    HA   VAL  43           HA       VAL  43  -7.279   1.050   6.566
  295    HB   VAL  43           HB       VAL  43  -7.683   2.395   4.475
  296   1HG1  VAL  43          1HG1      VAL  43  -9.329   1.030   2.917
  297   2HG1  VAL  43          2HG1      VAL  43  -8.308  -0.306   3.443
  298   3HG1  VAL  43          3HG1      VAL  43  -7.591   1.083   2.633
  299   1HG2  VAL  43          1HG2      VAL  43  -9.761   0.883   5.966
  300   2HG2  VAL  43          2HG2      VAL  43 -10.259   1.870   4.591
  301   3HG2  VAL  43          3HG2      VAL  43  -9.409   2.611   5.948
  302    H    HIS  44           H        HIS  44  -6.618  -1.325   4.075
  303    HA   HIS  44           HA       HIS  44  -7.802  -3.387   5.753
  304   1HB   HIS  44          2HB       HIS  44  -8.467  -3.691   2.886
  305   2HB   HIS  44          1HB       HIS  44  -9.397  -4.137   4.311
  306    HD1  HIS  44           1HD      HIS  44  -9.994  -1.577   5.655
  307    HD2  HIS  44           2HD      HIS  44  -9.946  -1.917   1.519
  308    HE1  HIS  44           1HE      HIS  44 -11.371   0.340   4.806
  309    HE2  HIS  44           2HE      HIS  44 -11.304   0.139   2.298
  310    H    LYS  45           H        LYS  45  -6.807  -5.383   5.534
  311    HA   LYS  45           HA       LYS  45  -4.355  -5.341   3.945
  312   1HB   LYS  45          2HB       LYS  45  -3.766  -7.388   5.275
  313   2HB   LYS  45          1HB       LYS  45  -3.962  -5.920   6.220
  314   1HG   LYS  45          2HG       LYS  45  -6.482  -7.068   6.235
  315   2HG   LYS  45          1HG       LYS  45  -5.376  -8.435   6.386
  316   1HD   LYS  45          2HD       LYS  45  -4.391  -6.393   8.065
  317   2HD   LYS  45          1HD       LYS  45  -6.128  -6.502   8.357
  318   1HE   LYS  45          2HE       LYS  45  -4.847  -9.108   8.154
  319   2HE   LYS  45          1HE       LYS  45  -4.183  -8.121   9.456
  320   1HZ   LYS  45          1HZ       LYS  45  -6.502  -7.764  10.219
  321   2HZ   LYS  45          2HZ       LYS  45  -5.994  -9.373  10.318
  322   3HZ   LYS  45          3HZ       LYS  45  -7.023  -8.890   9.066
  323    H    GLY  46           H        GLY  46  -6.094  -5.543   2.119
  324   1HA   GLY  46          2HA       GLY  46  -5.741  -8.067   0.933
  325   2HA   GLY  46          1HA       GLY  46  -7.364  -7.980   1.604
  326    H    ARG  47           H        ARG  47  -8.244  -8.120  -0.503
  327    HA   ARG  47           HA       ARG  47  -7.675  -5.943  -2.347
  328   1HB   ARG  47          2HB       ARG  47  -9.708  -8.126  -2.745
  329   2HB   ARG  47          1HB       ARG  47  -8.879  -7.171  -3.967
  330   1HG   ARG  47          2HG       ARG  47  -6.824  -8.405  -2.597
  331   2HG   ARG  47          1HG       ARG  47  -8.081  -9.640  -2.686
  332   1HD   ARG  47          2HD       ARG  47  -8.217  -9.368  -5.093
  333   2HD   ARG  47          1HD       ARG  47  -7.037  -8.059  -5.033
  334    HE   ARG  47           HE       ARG  47  -5.853 -10.298  -3.884
  335   1HH1  ARG  47          1HH1      ARG  47  -7.088  -9.305  -6.986
  336   2HH1  ARG  47          2HH1      ARG  47  -5.996 -10.304  -7.886
  337   1HH2  ARG  47          1HH2      ARG  47  -4.412 -11.620  -5.062
  338   2HH2  ARG  47          2HH2      ARG  47  -4.478 -11.624  -6.792
  339    H    CYS  48           H        CYS  48  -8.650  -4.779  -0.222
  340    HA   CYS  48           HA       CYS  48 -10.325  -3.528   0.688
  341   1HB   CYS  48          2HB       CYS  48 -10.440  -3.257  -2.230
  342   2HB   CYS  48          1HB       CYS  48 -11.908  -2.753  -1.400
  Start of MODEL    3
    1   1H    LYS   1          1HT       LYS   1  16.137   6.926   3.222
    2   2H    LYS   1          2HT       LYS   1  15.742   8.542   2.798
    3   3H    LYS   1          3HT       LYS   1  16.991   7.713   1.962
    4    HA   LYS   1           HA       LYS   1  15.172   7.704   0.562
    5   1HB   LYS   1          2HB       LYS   1  14.835   5.021   1.807
    6   2HB   LYS   1          1HB       LYS   1  15.121   5.449   0.125
    7   1HG   LYS   1          2HG       LYS   1  17.418   5.655   0.438
    8   2HG   LYS   1          1HG       LYS   1  17.262   5.797   2.190
    9   1HD   LYS   1          2HD       LYS   1  16.737   3.494   2.418
   10   2HD   LYS   1          1HD       LYS   1  16.517   3.304   0.677
   11   1HE   LYS   1          2HE       LYS   1  18.628   2.358   1.206
   12   2HE   LYS   1          1HE       LYS   1  18.945   3.900   0.413
   13   1HZ   LYS   1          1HZ       LYS   1  18.848   3.648   3.359
   14   2HZ   LYS   1          2HZ       LYS   1  19.522   4.894   2.434
   15   3HZ   LYS   1          3HZ       LYS   1  20.273   3.380   2.486
   16    HA   PRO   2           HA       PRO   2  11.612   8.847   3.256
   17   1HB   PRO   2          2HB       PRO   2  10.763   9.630   0.501
   18   2HB   PRO   2          1HB       PRO   2  10.589  10.509   2.025
   19   1HG   PRO   2          2HG       PRO   2  12.463  11.211   0.280
   20   2HG   PRO   2          1HG       PRO   2  12.802  11.216   2.022
   21   1HD   PRO   2          2HD       PRO   2  13.659   9.271  -0.070
   22   2HD   PRO   2          1HD       PRO   2  14.520   9.826   1.380
   23    H    ASP   3           H        ASP   3   9.124   8.676   2.282
   24    HA   ASP   3           HA       ASP   3   8.597   5.895   2.277
   25   1HB   ASP   3          2HB       ASP   3   7.073   8.358   2.393
   26   2HB   ASP   3          1HB       ASP   3   6.271   7.129   1.420
   27    H    CYS   4           H        CYS   4  10.237   5.959   0.190
   28    HA   CYS   4           HA       CYS   4   8.441   5.833  -2.136
   29   1HB   CYS   4          2HB       CYS   4  10.954   7.132  -1.823
   30   2HB   CYS   4          1HB       CYS   4  11.164   5.819  -2.975
   31    HA   PRO   5           HA       PRO   5   9.202   1.563  -2.625
   32   1HB   PRO   5          2HB       PRO   5   9.435   1.213  -5.292
   33   2HB   PRO   5          1HB       PRO   5   7.912   1.665  -4.518
   34   1HG   PRO   5          2HG       PRO   5   9.886   3.377  -5.969
   35   2HG   PRO   5          1HG       PRO   5   8.115   3.419  -6.017
   36   1HD   PRO   5          2HD       PRO   5   9.642   5.141  -4.542
   37   2HD   PRO   5          1HD       PRO   5   7.976   4.701  -4.125
   38    H    LEU   6           H        LEU   6  10.644  -0.104  -3.056
   39    HA   LEU   6           HA       LEU   6  13.024  -0.061  -4.420
   40   1HB   LEU   6          2HB       LEU   6  13.337   1.761  -2.474
   41   2HB   LEU   6          1HB       LEU   6  13.789   0.325  -1.577
   42    HG   LEU   6           HG       LEU   6  15.071   0.899  -4.223
   43   1HD1  LEU   6          1HD1      LEU   6  16.644   2.336  -3.330
   44   2HD1  LEU   6          2HD1      LEU   6  16.279   1.870  -1.668
   45   3HD1  LEU   6          3HD1      LEU   6  15.154   2.890  -2.565
   46   1HD2  LEU   6          1HD2      LEU   6  16.962  -0.169  -2.656
   47   2HD2  LEU   6          2HD2      LEU   6  15.831  -1.139  -3.599
   48   3HD2  LEU   6          3HD2      LEU   6  15.529  -0.850  -1.886
   49    H    ILE   7           H        ILE   7  10.990  -1.830  -3.821
   50    HA   ILE   7           HA       ILE   7  10.612  -4.010  -3.302
   51    HB   ILE   7           HB       ILE   7  13.618  -4.043  -3.067
   52   1HG1  ILE   7          2HG1      ILE   7  12.052  -5.429  -5.199
   53   2HG1  ILE   7          1HG1      ILE   7  12.222  -3.680  -5.296
   54   1HG2  ILE   7          1HG2      ILE   7  13.484  -6.470  -3.080
   55   2HG2  ILE   7          2HG2      ILE   7  11.722  -6.389  -3.087
   56   3HG2  ILE   7          3HG2      ILE   7  12.626  -5.815  -1.685
   57   1HD1  ILE   7          1HD1      ILE   7  14.177  -3.987  -6.273
   58   2HD1  ILE   7          2HD1      ILE   7  14.088  -5.728  -5.999
   59   3HD1  ILE   7          3HD1      ILE   7  14.784  -4.674  -4.766
   60    H    CYS   8           H        CYS   8   9.865  -5.000  -1.524
   61    HA   CYS   8           HA       CYS   8  11.154  -4.476   1.051
   62   1HB   CYS   8          2HB       CYS   8   8.740  -3.292   0.233
   63   2HB   CYS   8          1HB       CYS   8   8.338  -4.510   1.430
   64    H    THR   9           H        THR   9   8.031  -5.984   0.436
   65    HA   THR   9           HA       THR   9   9.154  -8.508   1.434
   66    HB   THR   9           HB       THR   9   6.646  -8.903   2.008
   67    HG1  THR   9           1HG      THR   9   5.833  -6.670   2.627
   68   1HG2  THR   9          1HG2      THR   9   7.095  -8.423   4.147
   69   2HG2  THR   9          2HG2      THR   9   7.604  -6.776   3.778
   70   3HG2  THR   9          3HG2      THR   9   8.721  -8.120   3.535
   71    H    MET  10           H        MET  10   8.965 -10.287   0.216
   72    HA   MET  10           HA       MET  10   7.547 -10.034  -2.331
   73   1HB   MET  10          2HB       MET  10   9.848 -11.657  -1.364
   74   2HB   MET  10          1HB       MET  10   8.824 -12.375  -2.600
   75   1HG   MET  10          2HG       MET  10   9.672 -11.087  -4.198
   76   2HG   MET  10          1HG       MET  10   9.543  -9.631  -3.213
   77   1HE   MET  10          1HE       MET  10  11.353 -12.545  -4.410
   78   2HE   MET  10          2HE       MET  10  12.183 -12.984  -2.918
   79   3HE   MET  10          3HE       MET  10  13.064 -12.168  -4.209
   80    H    GLN  11           H        GLN  11   6.475 -10.669   0.455
   81    HA   GLN  11           HA       GLN  11   5.190 -13.244  -0.110
   82   1HB   GLN  11          2HB       GLN  11   4.992 -11.707   2.474
   83   2HB   GLN  11          1HB       GLN  11   4.710 -13.421   2.202
   84   1HG   GLN  11          2HG       GLN  11   6.991 -13.894   2.056
   85   2HG   GLN  11          1HG       GLN  11   7.415 -12.202   1.796
   86   1HE2  GLN  11          1HE2      GLN  11   5.545 -14.009   4.216
   87   2HE2  GLN  11          2HE2      GLN  11   6.347 -13.333   5.589
   88    H    TYR  12           H        TYR  12   4.030 -12.013  -1.779
   89    HA   TYR  12           HA       TYR  12   2.459 -10.011  -1.963
   90   1HB   TYR  12          2HB       TYR  12   2.159 -12.672  -2.870
   91   2HB   TYR  12          1HB       TYR  12   0.573 -12.120  -2.341
   92    HD1  TYR  12           1HD      TYR  12  -0.617 -10.427  -3.539
   93    HD2  TYR  12           2HD      TYR  12   3.340 -11.484  -4.689
   94    HE1  TYR  12           1HE      TYR  12  -0.902  -9.184  -5.640
   95    HE2  TYR  12           2HE      TYR  12   3.067 -10.243  -6.794
   96    HH   TYR  12           HH       TYR  12   0.209  -9.346  -8.043
   97    H    ASP  13           H        ASP  13   1.803  -8.882  -0.247
   98    HA   ASP  13           HA       ASP  13  -0.408 -10.016   1.333
   99   1HB   ASP  13          2HB       ASP  13   2.032  -9.317   2.392
  100   2HB   ASP  13          1HB       ASP  13   1.110  -7.831   2.599
  101    HA   PRO  14           HA       PRO  14  -1.441  -6.344  -1.439
  102   1HB   PRO  14          2HB       PRO  14  -3.991  -7.457  -1.835
  103   2HB   PRO  14          1HB       PRO  14  -2.636  -7.510  -2.965
  104   1HG   PRO  14          2HG       PRO  14  -3.544  -9.556  -0.993
  105   2HG   PRO  14          1HG       PRO  14  -2.874  -9.780  -2.621
  106   1HD   PRO  14          2HD       PRO  14  -1.378 -10.236  -0.462
  107   2HD   PRO  14          1HD       PRO  14  -0.680  -9.441  -1.892
  108    H    VAL  15           H        VAL  15  -1.834  -4.672  -0.160
  109    HA   VAL  15           HA       VAL  15  -4.123  -4.812   1.672
  110    HB   VAL  15           HB       VAL  15  -2.969  -3.300   3.130
  111   1HG1  VAL  15          1HG1      VAL  15  -1.988  -5.031   4.106
  112   2HG1  VAL  15          2HG1      VAL  15  -0.658  -4.945   2.952
  113   3HG1  VAL  15          3HG1      VAL  15  -2.084  -5.915   2.582
  114   1HG2  VAL  15          1HG2      VAL  15  -1.789  -1.896   1.635
  115   2HG2  VAL  15          2HG2      VAL  15  -0.850  -3.250   1.009
  116   3HG2  VAL  15          3HG2      VAL  15  -0.580  -2.675   2.654
  117    H    CYS  16           H        CYS  16  -5.644  -3.387   1.401
  118    HA   CYS  16           HA       CYS  16  -5.488  -1.523  -0.772
  119   1HB   CYS  16          2HB       CYS  16  -7.524  -2.836   0.698
  120   2HB   CYS  16          1HB       CYS  16  -7.778  -1.115   0.841
  121    H    GLY  17           H        GLY  17  -4.947   0.568  -0.645
  122   1HA   GLY  17          2HA       GLY  17  -4.521   1.631   2.051
  123   2HA   GLY  17          1HA       GLY  17  -3.680   2.173   0.611
  124    H    SER  18           H        SER  18  -5.393   3.408   2.774
  125    HA   SER  18           HA       SER  18  -7.777   4.383   1.840
  126   1HB   SER  18          2HB       SER  18  -6.019   4.967   3.984
  127   2HB   SER  18          1HB       SER  18  -6.376   6.500   3.189
  128    HG   SER  18           HG       SER  18  -8.090   6.347   4.436
  129    H    ASP  19           H        ASP  19  -7.819   4.802  -0.232
  130    HA   ASP  19           HA       ASP  19  -7.402   7.313  -1.243
  131   1HB   ASP  19          2HB       ASP  19  -4.967   6.815  -0.980
  132   2HB   ASP  19          1HB       ASP  19  -5.156   5.461  -2.089
  133    H    GLY  20           H        GLY  20  -7.515   3.884  -1.722
  134   1HA   GLY  20          2HA       GLY  20  -9.392   2.992  -2.972
  135   2HA   GLY  20          1HA       GLY  20  -9.151   4.292  -4.134
  136    H    ILE  21           H        ILE  21  -6.530   2.426  -2.681
  137    HA   ILE  21           HA       ILE  21  -6.205   1.027  -5.254
  138    HB   ILE  21           HB       ILE  21  -4.072   2.612  -3.845
  139   1HG1  ILE  21          2HG1      ILE  21  -5.829   3.630  -5.522
  140   2HG1  ILE  21          1HG1      ILE  21  -4.132   4.088  -5.618
  141   1HG2  ILE  21          1HG2      ILE  21  -2.636   1.829  -5.779
  142   2HG2  ILE  21          2HG2      ILE  21  -3.870   0.602  -6.069
  143   3HG2  ILE  21          3HG2      ILE  21  -2.999   0.631  -4.536
  144   1HD1  ILE  21          1HD1      ILE  21  -5.560   3.349  -7.735
  145   2HD1  ILE  21          2HD1      ILE  21  -4.971   1.765  -7.233
  146   3HD1  ILE  21          3HD1      ILE  21  -3.826   3.055  -7.601
  147    H    THR  22           H        THR  22  -5.623  -1.035  -5.119
  148    HA   THR  22           HA       THR  22  -5.004  -2.164  -2.489
  149    HB   THR  22           HB       THR  22  -5.642  -3.519  -5.122
  150    HG1  THR  22           1HG      THR  22  -7.628  -3.940  -4.149
  151   1HG2  THR  22          1HG2      THR  22  -6.055  -5.514  -3.659
  152   2HG2  THR  22          2HG2      THR  22  -5.195  -4.655  -2.382
  153   3HG2  THR  22          3HG2      THR  22  -4.363  -5.064  -3.882
  154    H    TYR  23           H        TYR  23  -2.883  -1.896  -2.071
  155    HA   TYR  23           HA       TYR  23  -0.916  -2.056  -4.145
  156   1HB   TYR  23          2HB       TYR  23  -0.517  -1.780  -1.162
  157   2HB   TYR  23          1HB       TYR  23   0.641  -1.400  -2.430
  158    HD1  TYR  23           1HD      TYR  23   0.477   0.651  -3.695
  159    HD2  TYR  23           2HD      TYR  23  -2.582  -0.412  -0.936
  160    HE1  TYR  23           1HE      TYR  23  -0.536   2.879  -3.959
  161    HE2  TYR  23           2HE      TYR  23  -3.588   1.817  -1.182
  162    HH   TYR  23           HH       TYR  23  -1.988   4.383  -2.845
  163    H    GLY  24           H        GLY  24   1.081  -3.330  -3.801
  164   1HA   GLY  24          2HA       GLY  24   0.349  -6.110  -3.608
  165   2HA   GLY  24          1HA       GLY  24   1.937  -5.476  -4.019
  166    H    ASN  25           H        ASN  25   1.472  -3.785  -1.444
  167    HA   ASN  25           HA       ASN  25   1.463  -5.473   0.748
  168   1HB   ASN  25          2HB       ASN  25   4.098  -5.184  -0.603
  169   2HB   ASN  25          1HB       ASN  25   4.088  -5.104   1.155
  170   1HD2  ASN  25          1HD2      ASN  25   5.251  -7.121  -0.613
  171   2HD2  ASN  25          2HD2      ASN  25   4.522  -8.619  -0.162
  172    H    ALA  26           H        ALA  26   1.799  -4.366   2.719
  173    HA   ALA  26           HA       ALA  26   1.095  -1.704   2.780
  174   1HB   ALA  26          1HB       ALA  26   1.759  -3.656   4.679
  175   2HB   ALA  26          2HB       ALA  26   1.073  -2.060   4.982
  176   3HB   ALA  26          3HB       ALA  26   2.822  -2.288   5.012
  177    H    CYS  27           H        CYS  27   4.184  -3.193   2.322
  178    HA   CYS  27           HA       CYS  27   5.758  -0.822   2.696
  179   1HB   CYS  27          2HB       CYS  27   6.232  -3.612   2.052
  180   2HB   CYS  27          1HB       CYS  27   7.195  -2.535   1.059
  181    H    MET  28           H        MET  28   4.524  -2.655  -0.053
  182    HA   MET  28           HA       MET  28   5.659  -1.118  -2.085
  183   1HB   MET  28          2HB       MET  28   3.045  -2.639  -1.988
  184   2HB   MET  28          1HB       MET  28   3.713  -1.942  -3.460
  185   1HG   MET  28          2HG       MET  28   5.629  -3.596  -2.032
  186   2HG   MET  28          1HG       MET  28   4.176  -4.480  -2.497
  187   1HE   MET  28          1HE       MET  28   3.641  -5.279  -4.833
  188   2HE   MET  28          2HE       MET  28   4.184  -4.469  -6.304
  189   3HE   MET  28          3HE       MET  28   3.161  -3.612  -5.150
  190    H    LEU  29           H        LEU  29   2.974  -0.619   0.033
  191    HA   LEU  29           HA       LEU  29   1.709   1.455  -1.309
  192   1HB   LEU  29          2HB       LEU  29   1.305   0.031   0.982
  193   2HB   LEU  29          1HB       LEU  29   1.719   1.621   1.599
  194    HG   LEU  29           HG       LEU  29  -0.619   0.740   0.053
  195   1HD1  LEU  29          1HD1      LEU  29  -0.130   1.621   2.612
  196   2HD1  LEU  29          2HD1      LEU  29  -1.715   1.515   1.843
  197   3HD1  LEU  29          3HD1      LEU  29  -0.821   3.036   1.819
  198   1HD2  LEU  29          1HD2      LEU  29   0.538   3.519  -0.105
  199   2HD2  LEU  29          2HD2      LEU  29  -1.098   3.089  -0.598
  200   3HD2  LEU  29          3HD2      LEU  29   0.284   2.409  -1.444
  201    H    LEU  30           H        LEU  30   4.118   1.521   1.311
  202    HA   LEU  30           HA       LEU  30   4.268   4.230   1.661
  203   1HB   LEU  30          2HB       LEU  30   6.445   3.955   2.542
  204   2HB   LEU  30          1HB       LEU  30   5.580   2.478   2.919
  205    HG   LEU  30           HG       LEU  30   6.792   1.917   0.505
  206   1HD1  LEU  30          1HD1      LEU  30   8.095   4.040   0.838
  207   2HD1  LEU  30          2HD1      LEU  30   9.063   2.578   0.643
  208   3HD1  LEU  30          3HD1      LEU  30   8.830   3.275   2.246
  209   1HD2  LEU  30          1HD2      LEU  30   8.326   1.190   2.892
  210   2HD2  LEU  30          2HD2      LEU  30   7.579   0.165   1.667
  211   3HD2  LEU  30          3HD2      LEU  30   6.604   0.819   2.982
  212    H    GLY  31           H        GLY  31   5.662   2.222  -0.866
  213   1HA   GLY  31          2HA       GLY  31   7.127   4.297  -2.151
  214   2HA   GLY  31          1HA       GLY  31   6.609   2.786  -2.892
  215    H    ALA  32           H        ALA  32   3.839   3.141  -2.345
  216    HA   ALA  32           HA       ALA  32   3.017   4.495  -4.650
  217   1HB   ALA  32          1HB       ALA  32   0.742   4.210  -3.727
  218   2HB   ALA  32          2HB       ALA  32   1.458   3.681  -2.204
  219   3HB   ALA  32          3HB       ALA  32   1.698   2.729  -3.669
  220    H    SER  33           H        SER  33   2.947   5.453  -1.237
  221    HA   SER  33           HA       SER  33   1.676   7.913  -1.541
  222   1HB   SER  33          2HB       SER  33   3.620   8.153   0.524
  223   2HB   SER  33          1HB       SER  33   1.889   7.855   0.686
  224    HG   SER  33           HG       SER  33   3.127   6.194   1.645
  225    H    CYS  34           H        CYS  34   5.156   7.163  -1.479
  226    HA   CYS  34           HA       CYS  34   5.944   9.865  -1.999
  227   1HB   CYS  34          2HB       CYS  34   7.536   8.442  -0.954
  228   2HB   CYS  34          1HB       CYS  34   7.410   7.258  -2.246
  229    H    ARG  35           H        ARG  35   5.297   7.112  -4.102
  230    HA   ARG  35           HA       ARG  35   6.412   8.287  -6.431
  231   1HB   ARG  35          2HB       ARG  35   4.465   6.026  -6.021
  232   2HB   ARG  35          1HB       ARG  35   4.966   6.546  -7.623
  233   1HG   ARG  35          2HG       ARG  35   6.677   5.365  -5.452
  234   2HG   ARG  35          1HG       ARG  35   6.306   4.684  -7.033
  235   1HD   ARG  35          2HD       ARG  35   7.457   7.244  -7.430
  236   2HD   ARG  35          1HD       ARG  35   8.462   6.374  -6.275
  237    HE   ARG  35           HE       ARG  35   8.975   4.814  -7.924
  238   1HH1  ARG  35          1HH1      ARG  35   6.651   7.144  -9.082
  239   2HH1  ARG  35          2HH1      ARG  35   6.857   6.711 -10.746
  240   1HH2  ARG  35          1HH2      ARG  35   9.242   4.236 -10.112
  241   2HH2  ARG  35          2HH2      ARG  35   8.328   5.058 -11.332
  242    H    SER  36           H        SER  36   3.253   8.416  -4.943
  243    HA   SER  36           HA       SER  36   2.111   9.794  -7.224
  244   1HB   SER  36          2HB       SER  36   0.746   8.172  -5.997
  245   2HB   SER  36          1HB       SER  36   0.917   9.117  -4.524
  246    HG   SER  36           HG       SER  36  -0.024  10.881  -5.938
  247    H    ASP  37           H        ASP  37   1.337  10.779  -3.968
  248    HA   ASP  37           HA       ASP  37   2.998  12.985  -3.670
  249   1HB   ASP  37          2HB       ASP  37   1.134  13.415  -5.725
  250   2HB   ASP  37          1HB       ASP  37   0.514  14.306  -4.338
  251    H    THR  38           H        THR  38  -0.176  11.594  -3.223
  252    HA   THR  38           HA       THR  38  -0.584  12.985  -0.705
  253    HB   THR  38           HB       THR  38  -2.578  12.810  -1.924
  254    HG1  THR  38           1HG      THR  38  -3.638  12.058  -0.299
  255   1HG2  THR  38          1HG2      THR  38  -2.230  11.318  -3.649
  256   2HG2  THR  38          2HG2      THR  38  -3.409  10.478  -2.641
  257   3HG2  THR  38          3HG2      THR  38  -1.705  10.029  -2.567
  258    HA   PRO  39           HA       PRO  39   1.182   9.635   1.627
  259   1HB   PRO  39          2HB       PRO  39  -0.110  10.687   4.002
  260   2HB   PRO  39          1HB       PRO  39   1.599  10.718   3.568
  261   1HG   PRO  39          2HG       PRO  39   0.035  12.947   3.665
  262   2HG   PRO  39          1HG       PRO  39   1.451  12.791   2.612
  263   1HD   PRO  39          2HD       PRO  39  -1.453  12.510   1.944
  264   2HD   PRO  39          1HD       PRO  39  -0.143  13.269   1.013
  265    H    ILE  40           H        ILE  40  -0.759   8.461   0.352
  266    HA   ILE  40           HA       ILE  40  -3.169   7.834   1.446
  267    HB   ILE  40           HB       ILE  40  -3.131   5.780   0.260
  268   1HG1  ILE  40          2HG1      ILE  40  -1.173   4.699   1.041
  269   2HG1  ILE  40          1HG1      ILE  40  -0.926   4.921  -0.688
  270   1HG2  ILE  40          1HG2      ILE  40  -1.244   7.163  -1.516
  271   2HG2  ILE  40          2HG2      ILE  40  -2.586   8.143  -0.925
  272   3HG2  ILE  40          3HG2      ILE  40  -2.906   6.647  -1.803
  273   1HD1  ILE  40          1HD1      ILE  40   0.319   6.435   1.576
  274   2HD1  ILE  40          2HD1      ILE  40   0.354   7.018  -0.088
  275   3HD1  ILE  40          3HD1      ILE  40   1.109   5.478   0.323
  276    H    GLU  41           H        GLU  41  -3.827   5.753   2.612
  277    HA   GLU  41           HA       GLU  41  -1.811   5.049   4.652
  278   1HB   GLU  41          2HB       GLU  41  -4.680   5.335   5.444
  279   2HB   GLU  41          1HB       GLU  41  -3.234   5.448   6.437
  280   1HG   GLU  41          2HG       GLU  41  -2.700   7.600   5.396
  281   2HG   GLU  41          1HG       GLU  41  -4.174   7.488   4.436
  282    H    LEU  42           H        LEU  42  -2.969   3.216   6.126
  283    HA   LEU  42           HA       LEU  42  -3.799   1.163   4.191
  284   1HB   LEU  42          2HB       LEU  42  -1.834   1.117   6.227
  285   2HB   LEU  42          1HB       LEU  42  -3.126   0.046   6.739
  286    HG   LEU  42           HG       LEU  42  -1.412  -1.185   5.511
  287   1HD1  LEU  42          1HD1      LEU  42  -3.343  -1.458   3.445
  288   2HD1  LEU  42          2HD1      LEU  42  -4.185  -1.152   4.963
  289   3HD1  LEU  42          3HD1      LEU  42  -3.057  -2.503   4.836
  290   1HD2  LEU  42          1HD2      LEU  42  -1.495   1.099   3.811
  291   2HD2  LEU  42          2HD2      LEU  42  -1.885  -0.333   2.858
  292   3HD2  LEU  42          3HD2      LEU  42  -0.379  -0.267   3.774
  293    H    VAL  43           H        VAL  43  -5.737   0.198   4.373
  294    HA   VAL  43           HA       VAL  43  -7.287   0.748   6.812
  295    HB   VAL  43           HB       VAL  43  -8.060   2.225   5.045
  296   1HG1  VAL  43          1HG1      VAL  43  -9.218   1.146   3.049
  297   2HG1  VAL  43          2HG1      VAL  43  -8.318  -0.310   3.467
  298   3HG1  VAL  43          3HG1      VAL  43  -7.454   1.168   3.048
  299   1HG2  VAL  43          1HG2      VAL  43  -9.793   1.659   6.486
  300   2HG2  VAL  43          2HG2      VAL  43  -9.874   0.000   5.892
  301   3HG2  VAL  43          3HG2      VAL  43 -10.464   1.327   4.890
  302    H    HIS  44           H        HIS  44  -6.890  -1.371   4.003
  303    HA   HIS  44           HA       HIS  44  -7.970  -3.573   5.634
  304   1HB   HIS  44          2HB       HIS  44  -8.297  -3.734   2.687
  305   2HB   HIS  44          1HB       HIS  44  -9.341  -4.338   3.970
  306    HD1  HIS  44           1HD      HIS  44 -10.444  -2.115   5.387
  307    HD2  HIS  44           2HD      HIS  44  -9.487  -1.724   1.367
  308    HE1  HIS  44           1HE      HIS  44 -11.779  -0.154   4.567
  309    HE2  HIS  44           2HE      HIS  44 -11.137   0.107   2.147
  310    H    LYS  45           H        LYS  45  -6.389  -4.971   6.043
  311    HA   LYS  45           HA       LYS  45  -3.998  -5.066   4.458
  312   1HB   LYS  45          2HB       LYS  45  -4.971  -6.424   6.935
  313   2HB   LYS  45          1HB       LYS  45  -3.619  -7.133   6.063
  314   1HG   LYS  45          2HG       LYS  45  -2.932  -4.475   6.220
  315   2HG   LYS  45          1HG       LYS  45  -3.714  -4.785   7.771
  316   1HD   LYS  45          2HD       LYS  45  -1.644  -6.665   6.691
  317   2HD   LYS  45          1HD       LYS  45  -1.170  -5.197   7.547
  318   1HE   LYS  45          2HE       LYS  45  -3.160  -6.356   9.123
  319   2HE   LYS  45          1HE       LYS  45  -2.153  -7.701   8.591
  320   1HZ   LYS  45          1HZ       LYS  45  -1.611  -6.083  10.682
  321   2HZ   LYS  45          2HZ       LYS  45  -0.652  -5.406   9.464
  322   3HZ   LYS  45          3HZ       LYS  45  -0.471  -7.037   9.874
  323    H    GLY  46           H        GLY  46  -5.836  -5.616   2.659
  324   1HA   GLY  46          2HA       GLY  46  -5.124  -8.188   1.697
  325   2HA   GLY  46          1HA       GLY  46  -6.766  -8.206   2.324
  326    H    ARG  47           H        ARG  47  -7.740  -8.539   0.337
  327    HA   ARG  47           HA       ARG  47  -7.255  -6.615  -1.800
  328   1HB   ARG  47          2HB       ARG  47  -9.417  -8.357  -2.438
  329   2HB   ARG  47          1HB       ARG  47  -7.804  -8.319  -3.133
  330   1HG   ARG  47          2HG       ARG  47  -7.018  -9.815  -1.351
  331   2HG   ARG  47          1HG       ARG  47  -8.659  -9.884  -0.709
  332   1HD   ARG  47          2HD       ARG  47  -7.686 -10.871  -3.383
  333   2HD   ARG  47          1HD       ARG  47  -8.309 -11.834  -2.044
  334    HE   ARG  47           HE       ARG  47 -10.404 -10.273  -2.593
  335   1HH1  ARG  47          1HH1      ARG  47  -8.306 -12.116  -4.671
  336   2HH1  ARG  47          2HH1      ARG  47  -9.526 -12.408  -5.865
  337   1HH2  ARG  47          1HH2      ARG  47 -12.025 -10.652  -4.160
  338   2HH2  ARG  47          2HH2      ARG  47 -11.640 -11.576  -5.575
  339    H    CYS  48           H        CYS  48  -8.170  -5.125   0.097
  340    HA   CYS  48           HA       CYS  48  -9.825  -3.749   0.848
  341   1HB   CYS  48          2HB       CYS  48 -10.049  -3.998  -2.027
  342   2HB   CYS  48          1HB       CYS  48 -11.608  -3.630  -1.299
  Start of MODEL    4
    1   1H    LYS   1          1HT       LYS   1   4.634   8.079  10.035
    2   2H    LYS   1          2HT       LYS   1   3.708   9.505  10.274
    3   3H    LYS   1          3HT       LYS   1   5.420   9.559  10.392
    4    HA   LYS   1           HA       LYS   1   3.824   9.010   7.981
    5   1HB   LYS   1          2HB       LYS   1   5.074  11.387   9.206
    6   2HB   LYS   1          1HB       LYS   1   5.386  11.184   7.487
    7   1HG   LYS   1          2HG       LYS   1   3.428  12.603   7.963
    8   2HG   LYS   1          1HG       LYS   1   3.031  11.173   7.006
    9   1HD   LYS   1          2HD       LYS   1   1.969  10.123   8.792
   10   2HD   LYS   1          1HD       LYS   1   2.766  11.143   9.991
   11   1HE   LYS   1          2HE       LYS   1   1.432  13.029   9.370
   12   2HE   LYS   1          1HE       LYS   1   0.764  12.167   7.986
   13   1HZ   LYS   1          1HZ       LYS   1  -0.902  11.647   9.346
   14   2HZ   LYS   1          2HZ       LYS   1  -0.052  12.111  10.733
   15   3HZ   LYS   1          3HZ       LYS   1   0.160  10.561  10.093
   16    HA   PRO   2           HA       PRO   2   7.975   6.950   7.570
   17   1HB   PRO   2          2HB       PRO   2   7.041   4.719   6.353
   18   2HB   PRO   2          1HB       PRO   2   7.076   4.901   8.110
   19   1HG   PRO   2          2HG       PRO   2   4.789   5.279   6.212
   20   2HG   PRO   2          1HG       PRO   2   4.814   4.455   7.783
   21   1HD   PRO   2          2HD       PRO   2   3.875   6.977   7.478
   22   2HD   PRO   2          1HD       PRO   2   4.679   6.431   8.965
   23    H    ASP   3           H        ASP   3   8.640   5.656   5.394
   24    HA   ASP   3           HA       ASP   3   7.552   6.926   3.019
   25   1HB   ASP   3          2HB       ASP   3   9.832   7.994   4.312
   26   2HB   ASP   3          1HB       ASP   3  10.411   7.172   2.866
   27    H    CYS   4           H        CYS   4   8.860   6.132   1.040
   28    HA   CYS   4           HA       CYS   4   8.534   3.559   0.506
   29   1HB   CYS   4          2HB       CYS   4  11.208   4.184  -0.451
   30   2HB   CYS   4          1HB       CYS   4   9.732   3.910  -1.362
   31    HA   PRO   5           HA       PRO   5  11.207   1.292   3.215
   32   1HB   PRO   5          2HB       PRO   5  10.360  -1.149   2.600
   33   2HB   PRO   5          1HB       PRO   5   9.265   0.015   3.355
   34   1HG   PRO   5          2HG       PRO   5   9.408  -0.888   0.522
   35   2HG   PRO   5          1HG       PRO   5   7.996  -0.418   1.482
   36   1HD   PRO   5          2HD       PRO   5   9.419   1.196  -0.361
   37   2HD   PRO   5          1HD       PRO   5   8.151   1.724   0.759
   38    H    LEU   6           H        LEU   6  12.481   2.214   0.862
   39    HA   LEU   6           HA       LEU   6  13.970   1.586  -0.829
   40   1HB   LEU   6          2HB       LEU   6  14.970   1.088   1.895
   41   2HB   LEU   6          1HB       LEU   6  15.917   0.355   0.615
   42    HG   LEU   6           HG       LEU   6  15.190   3.265   0.511
   43   1HD1  LEU   6          1HD1      LEU   6  16.542   3.786   2.184
   44   2HD1  LEU   6          2HD1      LEU   6  17.860   2.881   1.438
   45   3HD1  LEU   6          3HD1      LEU   6  16.744   2.070   2.537
   46   1HD2  LEU   6          1HD2      LEU   6  16.202   2.978  -1.462
   47   2HD2  LEU   6          2HD2      LEU   6  16.856   1.408  -1.000
   48   3HD2  LEU   6          3HD2      LEU   6  17.699   2.886  -0.535
   49    H    ILE   7           H        ILE   7  12.214  -0.118  -1.485
   50    HA   ILE   7           HA       ILE   7  11.813  -2.149  -2.431
   51    HB   ILE   7           HB       ILE   7  14.761  -2.554  -1.932
   52   1HG1  ILE   7          2HG1      ILE   7  14.347  -2.395  -4.648
   53   2HG1  ILE   7          1HG1      ILE   7  13.185  -1.231  -4.020
   54   1HG2  ILE   7          1HG2      ILE   7  14.198  -4.270  -3.921
   55   2HG2  ILE   7          2HG2      ILE   7  12.683  -4.343  -3.020
   56   3HG2  ILE   7          3HG2      ILE   7  14.206  -4.726  -2.217
   57   1HD1  ILE   7          1HD1      ILE   7  16.109  -1.119  -4.117
   58   2HD1  ILE   7          2HD1      ILE   7  15.391  -0.574  -2.600
   59   3HD1  ILE   7          3HD1      ILE   7  14.915   0.180  -4.122
   60    H    CYS   8           H        CYS   8  10.454  -3.162  -1.055
   61    HA   CYS   8           HA       CYS   8  11.475  -4.320   1.397
   62   1HB   CYS   8          2HB       CYS   8   9.047  -3.199   0.631
   63   2HB   CYS   8          1HB       CYS   8   8.714  -4.885   0.988
   64    H    THR   9           H        THR   9   8.949  -5.785  -0.574
   65    HA   THR   9           HA       THR   9  10.535  -7.933  -1.519
   66    HB   THR   9           HB       THR   9  10.619  -8.528   0.842
   67    HG1  THR   9           1HG      THR   9  10.488 -10.472   0.105
   68   1HG2  THR   9          1HG2      THR   9   8.889  -8.608   2.268
   69   2HG2  THR   9          2HG2      THR   9   7.761  -9.171   1.035
   70   3HG2  THR   9          3HG2      THR   9   8.173  -7.460   1.136
   71    H    MET  10           H        MET  10   8.490  -9.949  -1.250
   72    HA   MET  10           HA       MET  10   6.507  -8.848  -3.119
   73   1HB   MET  10          2HB       MET  10   7.874 -11.477  -2.883
   74   2HB   MET  10          1HB       MET  10   6.204 -11.493  -3.433
   75   1HG   MET  10          2HG       MET  10   6.727 -10.667  -5.440
   76   2HG   MET  10          1HG       MET  10   7.881  -9.513  -4.776
   77   1HE   MET  10          1HE       MET  10   7.587 -12.987  -6.710
   78   2HE   MET  10          2HE       MET  10   9.088 -12.518  -7.509
   79   3HE   MET  10          3HE       MET  10   7.755 -11.369  -7.391
   80    H    GLN  11           H        GLN  11   6.897 -11.101  -0.428
   81    HA   GLN  11           HA       GLN  11   5.068 -12.264   0.625
   82   1HB   GLN  11          2HB       GLN  11   6.220  -9.886   1.741
   83   2HB   GLN  11          1HB       GLN  11   4.554 -10.031   2.276
   84   1HG   GLN  11          2HG       GLN  11   5.499 -11.260   3.902
   85   2HG   GLN  11          1HG       GLN  11   5.353 -12.542   2.700
   86   1HE2  GLN  11          1HE2      GLN  11   7.570 -10.047   3.867
   87   2HE2  GLN  11          2HE2      GLN  11   9.018 -10.939   3.560
   88    H    TYR  12           H        TYR  12   3.593 -12.081  -1.338
   89    HA   TYR  12           HA       TYR  12   1.777 -10.268  -1.983
   90   1HB   TYR  12          2HB       TYR  12   1.819 -13.098  -2.097
   91   2HB   TYR  12          1HB       TYR  12   0.218 -12.613  -1.545
   92    HD1  TYR  12           1HD      TYR  12  -1.302 -11.459  -2.990
   93    HD2  TYR  12           2HD      TYR  12   2.645 -12.353  -4.304
   94    HE1  TYR  12           1HE      TYR  12  -1.945 -10.877  -5.290
   95    HE2  TYR  12           2HE      TYR  12   2.013 -11.776  -6.609
   96    HH   TYR  12           HH       TYR  12  -0.594 -10.035  -7.418
   97    H    ASP  13           H        ASP  13   1.297  -8.819  -0.423
   98    HA   ASP  13           HA       ASP  13  -0.720  -9.663   1.538
   99   1HB   ASP  13          2HB       ASP  13   1.601  -9.132   2.527
  100   2HB   ASP  13          1HB       ASP  13   1.266  -7.460   2.090
  101    HA   PRO  14           HA       PRO  14  -1.931  -6.330  -1.644
  102   1HB   PRO  14          2HB       PRO  14  -4.481  -7.533  -1.751
  103   2HB   PRO  14          1HB       PRO  14  -3.209  -7.652  -2.970
  104   1HG   PRO  14          2HG       PRO  14  -3.920  -9.541  -0.776
  105   2HG   PRO  14          1HG       PRO  14  -3.335  -9.887  -2.415
  106   1HD   PRO  14          2HD       PRO  14  -1.706 -10.112  -0.320
  107   2HD   PRO  14          1HD       PRO  14  -1.116  -9.421  -1.849
  108    H    VAL  15           H        VAL  15  -1.812  -4.909   0.185
  109    HA   VAL  15           HA       VAL  15  -4.085  -4.863   1.996
  110    HB   VAL  15           HB       VAL  15  -2.864  -3.191   3.215
  111   1HG1  VAL  15          1HG1      VAL  15  -0.580  -4.919   2.540
  112   2HG1  VAL  15          2HG1      VAL  15  -2.070  -5.753   2.981
  113   3HG1  VAL  15          3HG1      VAL  15  -1.340  -4.601   4.099
  114   1HG2  VAL  15          1HG2      VAL  15  -0.687  -2.341   2.432
  115   2HG2  VAL  15          2HG2      VAL  15  -2.017  -1.874   1.371
  116   3HG2  VAL  15          3HG2      VAL  15  -0.933  -3.185   0.904
  117    H    CYS  16           H        CYS  16  -5.741  -3.614   1.773
  118    HA   CYS  16           HA       CYS  16  -5.957  -1.862  -0.488
  119   1HB   CYS  16          2HB       CYS  16  -7.713  -3.280   1.208
  120   2HB   CYS  16          1HB       CYS  16  -8.095  -1.580   1.356
  121    H    GLY  17           H        GLY  17  -5.167   0.127  -0.453
  122   1HA   GLY  17          2HA       GLY  17  -4.920   1.466   2.140
  123   2HA   GLY  17          1HA       GLY  17  -3.996   1.858   0.704
  124    H    SER  18           H        SER  18  -5.757   3.357   2.598
  125    HA   SER  18           HA       SER  18  -8.110   4.209   1.472
  126   1HB   SER  18          2HB       SER  18  -7.827   5.118   3.563
  127   2HB   SER  18          1HB       SER  18  -6.113   5.433   3.305
  128    HG   SER  18           HG       SER  18  -8.336   6.977   2.625
  129    H    ASP  19           H        ASP  19  -8.096   4.372  -0.611
  130    HA   ASP  19           HA       ASP  19  -7.599   6.750  -1.911
  131   1HB   ASP  19          2HB       ASP  19  -5.182   5.412  -1.549
  132   2HB   ASP  19          1HB       ASP  19  -5.652   4.986  -3.192
  133    H    GLY  20           H        GLY  20  -7.804   3.289  -1.980
  134   1HA   GLY  20          2HA       GLY  20  -9.775   2.327  -3.043
  135   2HA   GLY  20          1HA       GLY  20  -9.509   3.448  -4.373
  136    H    ILE  21           H        ILE  21  -6.933   1.674  -2.717
  137    HA   ILE  21           HA       ILE  21  -6.750  -0.077  -5.073
  138    HB   ILE  21           HB       ILE  21  -4.499   1.615  -4.027
  139   1HG1  ILE  21          2HG1      ILE  21  -6.388   1.810  -6.283
  140   2HG1  ILE  21          1HG1      ILE  21  -5.495   3.075  -5.450
  141   1HG2  ILE  21          1HG2      ILE  21  -4.465  -0.459  -6.218
  142   2HG2  ILE  21          2HG2      ILE  21  -3.745  -0.646  -4.620
  143   3HG2  ILE  21          3HG2      ILE  21  -3.115   0.567  -5.733
  144   1HD1  ILE  21          1HD1      ILE  21  -3.541   2.631  -6.753
  145   2HD1  ILE  21          2HD1      ILE  21  -4.917   2.827  -7.840
  146   3HD1  ILE  21          3HD1      ILE  21  -4.296   1.215  -7.484
  147    H    THR  22           H        THR  22  -5.530  -1.945  -4.863
  148    HA   THR  22           HA       THR  22  -5.038  -2.805  -2.087
  149    HB   THR  22           HB       THR  22  -5.699  -4.454  -4.543
  150    HG1  THR  22           1HG      THR  22  -7.552  -3.571  -3.770
  151   1HG2  THR  22          1HG2      THR  22  -4.512  -6.014  -3.414
  152   2HG2  THR  22          2HG2      THR  22  -6.055  -6.188  -2.577
  153   3HG2  THR  22          3HG2      THR  22  -4.759  -5.237  -1.850
  154    H    TYR  23           H        TYR  23  -2.939  -2.274  -1.817
  155    HA   TYR  23           HA       TYR  23  -0.990  -2.650  -3.876
  156   1HB   TYR  23          2HB       TYR  23  -0.567  -1.900  -0.986
  157   2HB   TYR  23          1HB       TYR  23   0.525  -1.613  -2.338
  158    HD1  TYR  23           1HD      TYR  23  -2.387  -0.429  -0.555
  159    HD2  TYR  23           2HD      TYR  23  -0.165  -0.026  -4.159
  160    HE1  TYR  23           1HE      TYR  23  -3.556   1.678  -1.034
  161    HE2  TYR  23           2HE      TYR  23  -1.321   2.090  -4.637
  162    HH   TYR  23           HH       TYR  23  -2.512   3.889  -3.289
  163    H    GLY  24           H        GLY  24   0.467  -4.150  -4.131
  164   1HA   GLY  24          2HA       GLY  24   0.218  -6.740  -3.350
  165   2HA   GLY  24          1HA       GLY  24   1.763  -6.026  -3.787
  166    H    ASN  25           H        ASN  25   1.457  -4.152  -1.471
  167    HA   ASN  25           HA       ASN  25   1.319  -5.541   0.920
  168   1HB   ASN  25          2HB       ASN  25   3.787  -5.670   1.466
  169   2HB   ASN  25          1HB       ASN  25   3.207  -6.850   0.295
  170   1HD2  ASN  25          1HD2      ASN  25   4.408  -7.098  -1.428
  171   2HD2  ASN  25          2HD2      ASN  25   5.490  -5.929  -2.097
  172    H    ALA  26           H        ALA  26   1.759  -4.291   2.718
  173    HA   ALA  26           HA       ALA  26   1.261  -1.595   2.524
  174   1HB   ALA  26          1HB       ALA  26   0.901  -2.203   4.662
  175   2HB   ALA  26          2HB       ALA  26   2.575  -1.696   4.891
  176   3HB   ALA  26          3HB       ALA  26   2.195  -3.402   4.650
  177    H    CYS  27           H        CYS  27   4.246  -3.297   2.140
  178    HA   CYS  27           HA       CYS  27   5.958  -1.039   2.570
  179   1HB   CYS  27          2HB       CYS  27   6.348  -3.768   1.384
  180   2HB   CYS  27          1HB       CYS  27   7.550  -2.521   1.159
  181    H    MET  28           H        MET  28   4.464  -2.602  -0.204
  182    HA   MET  28           HA       MET  28   5.785  -1.115  -2.193
  183   1HB   MET  28          2HB       MET  28   3.247  -2.709  -2.058
  184   2HB   MET  28          1HB       MET  28   3.648  -1.804  -3.514
  185   1HG   MET  28          2HG       MET  28   5.973  -3.206  -2.803
  186   2HG   MET  28          1HG       MET  28   4.638  -4.340  -2.615
  187   1HE   MET  28          1HE       MET  28   6.669  -2.349  -5.795
  188   2HE   MET  28          2HE       MET  28   6.990  -4.074  -5.977
  189   3HE   MET  28          3HE       MET  28   7.216  -3.295  -4.411
  190    H    LEU  29           H        LEU  29   3.280  -0.375  -0.001
  191    HA   LEU  29           HA       LEU  29   2.143   1.770  -1.503
  192   1HB   LEU  29          2HB       LEU  29   1.690   0.488   1.054
  193   2HB   LEU  29          1HB       LEU  29   1.593   2.235   1.186
  194    HG   LEU  29           HG       LEU  29  -0.102   0.381  -0.430
  195   1HD1  LEU  29          1HD1      LEU  29  -1.624   0.862   1.099
  196   2HD1  LEU  29          2HD1      LEU  29  -1.421   2.590   0.810
  197   3HD1  LEU  29          3HD1      LEU  29  -0.396   1.765   1.986
  198   1HD2  LEU  29          1HD2      LEU  29   0.659   3.167  -1.052
  199   2HD2  LEU  29          2HD2      LEU  29  -1.044   2.749  -1.215
  200   3HD2  LEU  29          3HD2      LEU  29   0.175   1.861  -2.127
  201    H    LEU  30           H        LEU  30   4.310   1.587   1.306
  202    HA   LEU  30           HA       LEU  30   4.750   4.281   1.675
  203   1HB   LEU  30          2HB       LEU  30   6.725   2.002   1.893
  204   2HB   LEU  30          1HB       LEU  30   7.044   3.626   2.473
  205    HG   LEU  30           HG       LEU  30   4.854   1.812   3.476
  206   1HD1  LEU  30          1HD1      LEU  30   7.467   1.492   3.985
  207   2HD1  LEU  30          2HD1      LEU  30   6.200   1.145   5.161
  208   3HD1  LEU  30          3HD1      LEU  30   7.065   2.682   5.223
  209   1HD2  LEU  30          1HD2      LEU  30   5.662   4.619   4.139
  210   2HD2  LEU  30          2HD2      LEU  30   4.862   3.596   5.332
  211   3HD2  LEU  30          3HD2      LEU  30   4.055   3.972   3.809
  212    H    GLY  31           H        GLY  31   5.972   2.125  -0.789
  213   1HA   GLY  31          2HA       GLY  31   7.849   4.022  -1.871
  214   2HA   GLY  31          1HA       GLY  31   7.314   2.527  -2.635
  215    H    ALA  32           H        ALA  32   4.486   3.289  -2.251
  216    HA   ALA  32           HA       ALA  32   4.165   4.755  -4.708
  217   1HB   ALA  32          1HB       ALA  32   2.484   3.109  -2.959
  218   2HB   ALA  32          2HB       ALA  32   2.515   3.233  -4.718
  219   3HB   ALA  32          3HB       ALA  32   1.645   4.436  -3.764
  220    H    SER  33           H        SER  33   3.021   5.227  -1.358
  221    HA   SER  33           HA       SER  33   1.932   7.783  -1.778
  222   1HB   SER  33          2HB       SER  33   1.214   7.358   0.301
  223   2HB   SER  33          1HB       SER  33   2.342   6.011   0.438
  224    HG   SER  33           HG       SER  33   3.742   7.260   1.469
  225    H    CYS  34           H        CYS  34   5.182   6.712  -1.252
  226    HA   CYS  34           HA       CYS  34   6.176   9.340  -0.567
  227   1HB   CYS  34          2HB       CYS  34   8.260   8.328  -0.235
  228   2HB   CYS  34          1HB       CYS  34   7.111   7.081   0.237
  229    H    ARG  35           H        ARG  35   5.940   7.335  -3.430
  230    HA   ARG  35           HA       ARG  35   7.522   9.284  -4.944
  231   1HB   ARG  35          2HB       ARG  35   6.533   6.527  -5.680
  232   2HB   ARG  35          1HB       ARG  35   7.423   7.582  -6.770
  233   1HG   ARG  35          2HG       ARG  35   8.369   6.053  -4.411
  234   2HG   ARG  35          1HG       ARG  35   9.127   6.296  -5.985
  235   1HD   ARG  35          2HD       ARG  35   8.927   8.311  -3.751
  236   2HD   ARG  35          1HD       ARG  35  10.381   7.459  -4.270
  237    HE   ARG  35           HE       ARG  35   9.293   8.865  -6.451
  238   1HH1  ARG  35          1HH1      ARG  35  10.928   9.417  -3.429
  239   2HH1  ARG  35          2HH1      ARG  35  11.661  10.899  -3.944
  240   1HH2  ARG  35          1HH2      ARG  35  10.255  10.816  -7.147
  241   2HH2  ARG  35          2HH2      ARG  35  11.281  11.694  -6.062
  242    H    SER  36           H        SER  36   4.418   9.028  -4.061
  243    HA   SER  36           HA       SER  36   3.259   9.635  -6.662
  244   1HB   SER  36          2HB       SER  36   2.073   8.069  -5.200
  245   2HB   SER  36          1HB       SER  36   1.951   9.303  -3.952
  246    HG   SER  36           HG       SER  36   0.781   9.374  -6.538
  247    H    ASP  37           H        ASP  37   1.895  11.108  -3.833
  248    HA   ASP  37           HA       ASP  37   3.174  13.574  -3.813
  249   1HB   ASP  37          2HB       ASP  37   2.188  13.577  -6.186
  250   2HB   ASP  37          1HB       ASP  37   0.622  13.758  -5.403
  251    H    THR  38           H        THR  38   0.228  11.742  -3.431
  252    HA   THR  38           HA       THR  38  -0.496  13.420  -1.121
  253    HB   THR  38           HB       THR  38  -2.279  11.720  -2.878
  254    HG1  THR  38           1HG      THR  38  -2.165  13.506  -3.997
  255   1HG2  THR  38          1HG2      THR  38  -2.864  12.035  -0.351
  256   2HG2  THR  38          2HG2      THR  38  -4.098  12.225  -1.597
  257   3HG2  THR  38          3HG2      THR  38  -3.342  13.648  -0.881
  258    HA   PRO  39           HA       PRO  39   1.103   9.781   1.050
  259   1HB   PRO  39          2HB       PRO  39  -0.197  11.386   3.212
  260   2HB   PRO  39          1HB       PRO  39   1.378  10.582   3.200
  261   1HG   PRO  39          2HG       PRO  39   1.204  13.216   2.864
  262   2HG   PRO  39          1HG       PRO  39   2.371  12.256   1.937
  263   1HD   PRO  39          2HD       PRO  39  -0.189  13.491   1.058
  264   2HD   PRO  39          1HD       PRO  39   1.302  13.203   0.141
  265    H    ILE  40           H        ILE  40  -0.394   8.291   0.185
  266    HA   ILE  40           HA       ILE  40  -3.120   8.162   0.845
  267    HB   ILE  40           HB       ILE  40  -3.065   5.909  -0.015
  268   1HG1  ILE  40          2HG1      ILE  40  -0.354   5.989   0.950
  269   2HG1  ILE  40          1HG1      ILE  40  -1.311   4.598   0.462
  270   1HG2  ILE  40          1HG2      ILE  40  -1.116   7.454  -1.693
  271   2HG2  ILE  40          2HG2      ILE  40  -2.803   7.943  -1.530
  272   3HG2  ILE  40          3HG2      ILE  40  -2.403   6.368  -2.217
  273   1HD1  ILE  40          1HD1      ILE  40   0.910   5.006  -0.719
  274   2HD1  ILE  40          2HD1      ILE  40   0.084   6.321  -1.552
  275   3HD1  ILE  40          3HD1      ILE  40  -0.498   4.665  -1.723
  276    H    GLU  41           H        GLU  41  -3.922   5.971   1.954
  277    HA   GLU  41           HA       GLU  41  -2.355   5.538   4.404
  278   1HB   GLU  41          2HB       GLU  41  -5.085   6.663   4.191
  279   2HB   GLU  41          1HB       GLU  41  -4.818   5.484   5.469
  280   1HG   GLU  41          2HG       GLU  41  -2.648   7.112   5.735
  281   2HG   GLU  41          1HG       GLU  41  -3.899   8.245   5.224
  282    H    LEU  42           H        LEU  42  -3.731   3.780   5.783
  283    HA   LEU  42           HA       LEU  42  -4.317   1.591   3.898
  284   1HB   LEU  42          2HB       LEU  42  -2.318   1.730   5.898
  285   2HB   LEU  42          1HB       LEU  42  -3.524   0.584   6.456
  286    HG   LEU  42           HG       LEU  42  -1.688  -0.499   5.206
  287   1HD1  LEU  42          1HD1      LEU  42  -3.415  -1.400   3.334
  288   2HD1  LEU  42          2HD1      LEU  42  -4.529  -0.668   4.489
  289   3HD1  LEU  42          3HD1      LEU  42  -3.410  -1.924   5.018
  290   1HD2  LEU  42          1HD2      LEU  42  -1.638  -0.186   2.739
  291   2HD2  LEU  42          2HD2      LEU  42  -1.106   1.227   3.650
  292   3HD2  LEU  42          3HD2      LEU  42  -2.719   1.193   2.937
  293    H    VAL  43           H        VAL  43  -6.115   0.392   4.215
  294    HA   VAL  43           HA       VAL  43  -7.792   1.105   6.529
  295    HB   VAL  43           HB       VAL  43  -9.563   0.059   4.732
  296   1HG1  VAL  43          1HG1      VAL  43  -9.431   2.271   6.152
  297   2HG1  VAL  43          2HG1      VAL  43 -10.533   2.132   4.782
  298   3HG1  VAL  43          3HG1      VAL  43  -8.996   2.977   4.595
  299   1HG2  VAL  43          1HG2      VAL  43  -8.101  -0.073   2.884
  300   2HG2  VAL  43          2HG2      VAL  43  -7.423   1.524   3.207
  301   3HG2  VAL  43          3HG2      VAL  43  -9.078   1.370   2.615
  302    H    HIS  44           H        HIS  44  -7.226  -1.513   4.185
  303    HA   HIS  44           HA       HIS  44  -7.589  -3.437   6.379
  304   1HB   HIS  44          2HB       HIS  44  -8.489  -4.465   3.801
  305   2HB   HIS  44          1HB       HIS  44  -9.279  -4.528   5.373
  306    HD1  HIS  44           1HD      HIS  44 -10.703  -2.356   6.026
  307    HD2  HIS  44           2HD      HIS  44  -9.543  -2.643   2.046
  308    HE1  HIS  44           1HE      HIS  44 -12.151  -0.719   4.782
  309    HE2  HIS  44           2HE      HIS  44 -11.492  -0.974   2.364
  310    H    LYS  45           H        LYS  45  -6.406  -5.358   6.215
  311    HA   LYS  45           HA       LYS  45  -4.059  -5.150   4.490
  312   1HB   LYS  45          2HB       LYS  45  -4.639  -7.064   6.761
  313   2HB   LYS  45          1HB       LYS  45  -3.109  -6.915   5.908
  314   1HG   LYS  45          2HG       LYS  45  -3.030  -4.526   6.694
  315   2HG   LYS  45          1HG       LYS  45  -4.408  -4.908   7.729
  316   1HD   LYS  45          2HD       LYS  45  -2.533  -6.956   8.146
  317   2HD   LYS  45          1HD       LYS  45  -1.613  -5.449   8.139
  318   1HE   LYS  45          2HE       LYS  45  -2.504  -6.191  10.382
  319   2HE   LYS  45          1HE       LYS  45  -2.899  -4.542   9.901
  320   1HZ   LYS  45          1HZ       LYS  45  -4.868  -6.437   9.050
  321   2HZ   LYS  45          2HZ       LYS  45  -5.060  -5.003   9.927
  322   3HZ   LYS  45          3HZ       LYS  45  -4.669  -6.438  10.730
  323    H    GLY  46           H        GLY  46  -5.993  -5.687   2.822
  324   1HA   GLY  46          2HA       GLY  46  -5.331  -8.181   1.706
  325   2HA   GLY  46          1HA       GLY  46  -6.866  -8.331   2.550
  326    H    ARG  47           H        ARG  47  -7.856  -8.782   0.520
  327    HA   ARG  47           HA       ARG  47  -7.861  -6.730  -1.512
  328   1HB   ARG  47          2HB       ARG  47  -9.739  -9.067  -1.467
  329   2HB   ARG  47          1HB       ARG  47  -9.030  -8.243  -2.850
  330   1HG   ARG  47          2HG       ARG  47  -6.869  -9.210  -2.364
  331   2HG   ARG  47          1HG       ARG  47  -7.510  -9.967  -0.904
  332   1HD   ARG  47          2HD       ARG  47  -7.820 -11.750  -2.233
  333   2HD   ARG  47          1HD       ARG  47  -9.251 -10.877  -2.778
  334    HE   ARG  47           HE       ARG  47  -6.783 -11.281  -4.245
  335   1HH1  ARG  47          1HH1      ARG  47  -9.802  -9.559  -4.008
  336   2HH1  ARG  47          2HH1      ARG  47  -9.827  -9.115  -5.682
  337   1HH2  ARG  47          1HH2      ARG  47  -6.808 -10.701  -6.448
  338   2HH2  ARG  47          2HH2      ARG  47  -8.126  -9.765  -7.069
  339    H    CYS  48           H        CYS  48  -8.681  -5.378   0.537
  340    HA   CYS  48           HA       CYS  48 -10.380  -4.250   1.580
  341   1HB   CYS  48          2HB       CYS  48 -10.865  -4.281  -1.323
  342   2HB   CYS  48          1HB       CYS  48 -12.255  -3.814  -0.348
  Start of MODEL    5
    1   1H    LYS   1          1HT       LYS   1   5.660  11.914   7.051
    2   2H    LYS   1          2HT       LYS   1   5.470  13.349   7.973
    3   3H    LYS   1          3HT       LYS   1   6.461  12.076   8.557
    4    HA   LYS   1           HA       LYS   1   6.994  14.129   6.617
    5   1HB   LYS   1          2HB       LYS   1   7.952  13.583   9.016
    6   2HB   LYS   1          1HB       LYS   1   8.990  12.482   8.120
    7   1HG   LYS   1          2HG       LYS   1  10.266  14.400   8.238
    8   2HG   LYS   1          1HG       LYS   1   9.509  14.545   6.650
    9   1HD   LYS   1          2HD       LYS   1   7.688  15.731   8.365
   10   2HD   LYS   1          1HD       LYS   1   9.256  16.241   8.995
   11   1HE   LYS   1          2HE       LYS   1   8.238  16.573   6.177
   12   2HE   LYS   1          1HE       LYS   1   8.473  17.848   7.371
   13   1HZ   LYS   1          1HZ       LYS   1  10.840  17.423   7.326
   14   2HZ   LYS   1          2HZ       LYS   1  10.286  17.752   5.763
   15   3HZ   LYS   1          3HZ       LYS   1  10.630  16.161   6.219
   16    HA   PRO   2           HA       PRO   2   9.181  10.414   4.559
   17   1HB   PRO   2          2HB       PRO   2   8.822   7.936   5.490
   18   2HB   PRO   2          1HB       PRO   2   9.949   9.052   6.270
   19   1HG   PRO   2          2HG       PRO   2   7.186   8.271   7.085
   20   2HG   PRO   2          1HG       PRO   2   8.618   8.540   8.092
   21   1HD   PRO   2          2HD       PRO   2   6.583  10.384   7.685
   22   2HD   PRO   2          1HD       PRO   2   8.220  10.780   8.240
   23    H    ASP   3           H        ASP   3   8.581   8.566   3.107
   24    HA   ASP   3           HA       ASP   3   5.993   7.573   2.824
   25   1HB   ASP   3          2HB       ASP   3   5.527   9.040   0.662
   26   2HB   ASP   3          1HB       ASP   3   4.994   9.567   2.256
   27    H    CYS   4           H        CYS   4   8.475   6.490   2.593
   28    HA   CYS   4           HA       CYS   4   8.378   5.416  -0.080
   29   1HB   CYS   4          2HB       CYS   4  10.191   7.527   0.521
   30   2HB   CYS   4          1HB       CYS   4  11.131   6.052   0.334
   31    HA   PRO   5           HA       PRO   5   9.926   1.999   2.263
   32   1HB   PRO   5          2HB       PRO   5   9.880   0.169   0.325
   33   2HB   PRO   5          1HB       PRO   5   8.390   0.915   0.909
   34   1HG   PRO   5          2HG       PRO   5   9.874   1.382  -1.617
   35   2HG   PRO   5          1HG       PRO   5   8.138   1.506  -1.292
   36   1HD   PRO   5          2HD       PRO   5  10.038   3.623  -1.383
   37   2HD   PRO   5          1HD       PRO   5   8.331   3.730  -0.914
   38    H    LEU   6           H        LEU   6  11.411  -0.065   1.350
   39    HA   LEU   6           HA       LEU   6  13.834   0.793   0.068
   40   1HB   LEU   6          2HB       LEU   6  15.298   0.285   1.989
   41   2HB   LEU   6          1HB       LEU   6  14.271   1.678   2.277
   42    HG   LEU   6           HG       LEU   6  13.638  -1.084   3.308
   43   1HD1  LEU   6          1HD1      LEU   6  14.531   0.950   5.214
   44   2HD1  LEU   6          2HD1      LEU   6  15.785   0.373   4.117
   45   3HD1  LEU   6          3HD1      LEU   6  14.902  -0.772   5.129
   46   1HD2  LEU   6          1HD2      LEU   6  11.668   0.184   3.267
   47   2HD2  LEU   6          2HD2      LEU   6  12.501   1.656   3.767
   48   3HD2  LEU   6          3HD2      LEU   6  12.265   0.341   4.919
   49    H    ILE   7           H        ILE   7  12.174  -1.092  -0.801
   50    HA   ILE   7           HA       ILE   7  12.029  -3.259  -1.478
   51    HB   ILE   7           HB       ILE   7  14.833  -3.402  -0.377
   52   1HG1  ILE   7          2HG1      ILE   7  14.546  -1.822  -2.240
   53   2HG1  ILE   7          1HG1      ILE   7  15.509  -3.213  -2.728
   54   1HG2  ILE   7          1HG2      ILE   7  14.691  -5.369  -2.232
   55   2HG2  ILE   7          2HG2      ILE   7  13.064  -5.434  -1.553
   56   3HG2  ILE   7          3HG2      ILE   7  14.467  -5.621  -0.501
   57   1HD1  ILE   7          1HD1      ILE   7  12.579  -2.848  -3.307
   58   2HD1  ILE   7          2HD1      ILE   7  13.603  -4.172  -3.860
   59   3HD1  ILE   7          3HD1      ILE   7  13.894  -2.531  -4.438
   60    H    CYS   8           H        CYS   8  10.382  -3.736   0.009
   61    HA   CYS   8           HA       CYS   8  11.026  -4.668   2.642
   62   1HB   CYS   8          2HB       CYS   8   8.735  -3.689   1.373
   63   2HB   CYS   8          1HB       CYS   8   8.352  -5.330   1.875
   64    H    THR   9           H        THR   9   8.918  -6.384   0.375
   65    HA   THR   9           HA       THR   9  10.601  -8.678   0.221
   66    HB   THR   9           HB       THR   9   9.982  -8.988   2.517
   67    HG1  THR   9           1HG      THR   9   9.697 -11.003   2.076
   68   1HG2  THR   9          1HG2      THR   9   7.152  -8.588   1.597
   69   2HG2  THR   9          2HG2      THR   9   8.048  -7.656   2.797
   70   3HG2  THR   9          3HG2      THR   9   7.579  -9.321   3.144
   71    H    MET  10           H        MET  10   9.113 -10.677  -0.403
   72    HA   MET  10           HA       MET  10   7.259  -9.697  -2.467
   73   1HB   MET  10          2HB       MET  10   7.858 -11.550  -3.825
   74   2HB   MET  10          1HB       MET  10   9.368 -10.891  -3.211
   75   1HG   MET  10          2HG       MET  10   8.889 -12.714  -1.315
   76   2HG   MET  10          1HG       MET  10   8.068 -13.482  -2.672
   77   1HE   MET  10          1HE       MET  10  10.852 -15.264  -1.651
   78   2HE   MET  10          2HE       MET  10  10.584 -13.812  -0.685
   79   3HE   MET  10          3HE       MET  10  12.126 -14.052  -1.508
   80    H    GLN  11           H        GLN  11   6.823 -10.439   0.427
   81    HA   GLN  11           HA       GLN  11   5.249 -12.846   0.367
   82   1HB   GLN  11          2HB       GLN  11   5.929 -10.778   2.407
   83   2HB   GLN  11          1HB       GLN  11   4.505 -11.772   2.681
   84   1HG   GLN  11          2HG       GLN  11   7.248 -12.880   2.140
   85   2HG   GLN  11          1HG       GLN  11   6.589 -12.609   3.753
   86   1HE2  GLN  11          1HE2      GLN  11   6.710 -14.796   4.255
   87   2HE2  GLN  11          2HE2      GLN  11   5.612 -15.953   3.592
   88    H    TYR  12           H        TYR  12   4.200 -11.672  -1.603
   89    HA   TYR  12           HA       TYR  12   2.532  -9.740  -1.903
   90   1HB   TYR  12          2HB       TYR  12   2.459 -12.428  -2.791
   91   2HB   TYR  12          1HB       TYR  12   0.812 -11.960  -2.378
   92    HD1  TYR  12           1HD      TYR  12   3.684 -10.159  -3.949
   93    HD2  TYR  12           2HD      TYR  12  -0.377 -11.384  -4.270
   94    HE1  TYR  12           1HE      TYR  12   3.496  -8.956  -6.084
   95    HE2  TYR  12           2HE      TYR  12  -0.576 -10.184  -6.408
   96    HH   TYR  12           HH       TYR  12   1.992  -9.174  -8.192
   97    H    ASP  13           H        ASP  13   1.774  -8.685  -0.154
   98    HA   ASP  13           HA       ASP  13  -0.488  -9.941   1.249
   99   1HB   ASP  13          2HB       ASP  13   1.902  -8.926   2.396
  100   2HB   ASP  13          1HB       ASP  13   0.627  -7.773   2.779
  101    HA   PRO  14           HA       PRO  14  -1.621  -6.299  -1.507
  102   1HB   PRO  14          2HB       PRO  14  -4.144  -7.481  -1.873
  103   2HB   PRO  14          1HB       PRO  14  -2.794  -7.517  -3.010
  104   1HG   PRO  14          2HG       PRO  14  -3.636  -9.553  -1.000
  105   2HG   PRO  14          1HG       PRO  14  -2.981  -9.788  -2.633
  106   1HD   PRO  14          2HD       PRO  14  -1.447 -10.181  -0.495
  107   2HD   PRO  14          1HD       PRO  14  -0.785  -9.373  -1.935
  108    H    VAL  15           H        VAL  15  -1.892  -4.716  -0.026
  109    HA   VAL  15           HA       VAL  15  -4.181  -4.897   1.802
  110    HB   VAL  15           HB       VAL  15  -3.053  -3.134   3.087
  111   1HG1  VAL  15          1HG1      VAL  15  -2.345  -5.806   2.941
  112   2HG1  VAL  15          2HG1      VAL  15  -1.965  -4.692   4.254
  113   3HG1  VAL  15          3HG1      VAL  15  -0.804  -4.950   2.952
  114   1HG2  VAL  15          1HG2      VAL  15  -0.792  -3.458   1.124
  115   2HG2  VAL  15          2HG2      VAL  15  -0.791  -2.431   2.558
  116   3HG2  VAL  15          3HG2      VAL  15  -1.876  -2.070   1.215
  117    H    CYS  16           H        CYS  16  -5.812  -3.576   1.577
  118    HA   CYS  16           HA       CYS  16  -5.891  -1.809  -0.680
  119   1HB   CYS  16          2HB       CYS  16  -7.760  -3.181   0.932
  120   2HB   CYS  16          1HB       CYS  16  -8.099  -1.471   1.069
  121    H    GLY  17           H        GLY  17  -5.034   0.136  -0.606
  122   1HA   GLY  17          2HA       GLY  17  -4.717   1.435   1.983
  123   2HA   GLY  17          1HA       GLY  17  -3.882   1.868   0.502
  124    H    SER  18           H        SER  18  -5.679   3.188   2.608
  125    HA   SER  18           HA       SER  18  -8.007   4.118   1.413
  126   1HB   SER  18          2HB       SER  18  -6.560   4.654   3.792
  127   2HB   SER  18          1HB       SER  18  -6.844   6.205   3.000
  128    HG   SER  18           HG       SER  18  -8.808   4.258   3.633
  129    H    ASP  19           H        ASP  19  -7.692   4.516  -0.635
  130    HA   ASP  19           HA       ASP  19  -7.043   7.114  -1.476
  131   1HB   ASP  19          2HB       ASP  19  -4.719   5.929  -1.127
  132   2HB   ASP  19          1HB       ASP  19  -5.121   5.114  -2.636
  133    H    GLY  20           H        GLY  20  -7.402   3.714  -2.183
  134   1HA   GLY  20          2HA       GLY  20  -9.510   3.283  -3.477
  135   2HA   GLY  20          1HA       GLY  20  -8.828   4.388  -4.662
  136    H    ILE  21           H        ILE  21  -6.744   2.131  -2.925
  137    HA   ILE  21           HA       ILE  21  -6.860   0.309  -5.198
  138    HB   ILE  21           HB       ILE  21  -4.792   2.301  -4.879
  139   1HG1  ILE  21          2HG1      ILE  21  -4.434   0.781  -7.210
  140   2HG1  ILE  21          1HG1      ILE  21  -6.165   0.780  -6.893
  141   1HG2  ILE  21          1HG2      ILE  21  -3.775  -0.490  -5.383
  142   2HG2  ILE  21          2HG2      ILE  21  -3.600   0.346  -3.840
  143   3HG2  ILE  21          3HG2      ILE  21  -2.839   1.000  -5.289
  144   1HD1  ILE  21          1HD1      ILE  21  -4.642   2.775  -8.112
  145   2HD1  ILE  21          2HD1      ILE  21  -5.114   3.411  -6.535
  146   3HD1  ILE  21          3HD1      ILE  21  -6.346   2.835  -7.659
  147    H    THR  22           H        THR  22  -5.305  -1.481  -5.027
  148    HA   THR  22           HA       THR  22  -4.978  -2.388  -2.237
  149    HB   THR  22           HB       THR  22  -5.785  -3.951  -4.696
  150    HG1  THR  22           1HG      THR  22  -7.685  -3.793  -3.859
  151   1HG2  THR  22          1HG2      THR  22  -5.934  -5.899  -3.121
  152   2HG2  THR  22          2HG2      THR  22  -4.942  -4.967  -2.001
  153   3HG2  THR  22          3HG2      THR  22  -4.305  -5.412  -3.585
  154    H    TYR  23           H        TYR  23  -2.846  -1.960  -1.954
  155    HA   TYR  23           HA       TYR  23  -0.914  -2.457  -4.020
  156   1HB   TYR  23          2HB       TYR  23  -0.398  -1.675  -1.157
  157   2HB   TYR  23          1HB       TYR  23   0.637  -1.416  -2.553
  158    HD1  TYR  23           1HD      TYR  23  -2.436  -0.350  -0.863
  159    HD2  TYR  23           2HD      TYR  23   0.167   0.362  -4.150
  160    HE1  TYR  23           1HE      TYR  23  -3.591   1.773  -1.305
  161    HE2  TYR  23           2HE      TYR  23  -0.971   2.496  -4.591
  162    HH   TYR  23           HH       TYR  23  -3.654   3.611  -2.549
  163    H    GLY  24           H        GLY  24   0.508  -4.013  -4.203
  164   1HA   GLY  24          2HA       GLY  24   0.114  -6.563  -3.328
  165   2HA   GLY  24          1HA       GLY  24   1.698  -5.945  -3.778
  166    H    ASN  25           H        ASN  25   1.559  -3.950  -1.607
  167    HA   ASN  25           HA       ASN  25   1.359  -5.284   0.864
  168   1HB   ASN  25          2HB       ASN  25   4.085  -5.111  -0.386
  169   2HB   ASN  25          1HB       ASN  25   3.897  -5.102   1.361
  170   1HD2  ASN  25          1HD2      ASN  25   5.091  -7.044  -0.560
  171   2HD2  ASN  25          2HD2      ASN  25   4.337  -8.552  -0.182
  172    H    ALA  26           H        ALA  26   1.636  -3.926   2.622
  173    HA   ALA  26           HA       ALA  26   1.117  -1.236   2.282
  174   1HB   ALA  26          1HB       ALA  26   2.488  -2.561   4.625
  175   2HB   ALA  26          2HB       ALA  26   0.747  -2.379   4.401
  176   3HB   ALA  26          3HB       ALA  26   1.760  -0.954   4.639
  177    H    CYS  27           H        CYS  27   4.120  -2.971   2.244
  178    HA   CYS  27           HA       CYS  27   5.832  -0.697   2.517
  179   1HB   CYS  27          2HB       CYS  27   6.313  -3.480   1.443
  180   2HB   CYS  27          1HB       CYS  27   7.573  -2.275   1.662
  181    H    MET  28           H        MET  28   4.578  -2.629  -0.156
  182    HA   MET  28           HA       MET  28   5.928  -1.273  -2.216
  183   1HB   MET  28          2HB       MET  28   3.313  -2.793  -2.179
  184   2HB   MET  28          1HB       MET  28   4.093  -2.220  -3.650
  185   1HG   MET  28          2HG       MET  28   6.108  -3.580  -2.338
  186   2HG   MET  28          1HG       MET  28   4.676  -4.553  -2.021
  187   1HE   MET  28          1HE       MET  28   7.343  -3.685  -5.026
  188   2HE   MET  28          2HE       MET  28   6.209  -2.382  -4.669
  189   3HE   MET  28          3HE       MET  28   6.074  -3.280  -6.182
  190    H    LEU  29           H        LEU  29   3.372  -0.478  -0.129
  191    HA   LEU  29           HA       LEU  29   2.074   1.484  -1.706
  192   1HB   LEU  29          2HB       LEU  29   1.816   0.349   0.899
  193   2HB   LEU  29          1HB       LEU  29   1.857   2.099   1.054
  194    HG   LEU  29           HG       LEU  29  -0.087   0.413  -0.469
  195   1HD1  LEU  29          1HD1      LEU  29  -1.008   0.671   1.584
  196   2HD1  LEU  29          2HD1      LEU  29  -1.554   2.183   0.859
  197   3HD1  LEU  29          3HD1      LEU  29  -0.136   2.168   1.909
  198   1HD2  LEU  29          1HD2      LEU  29   0.629   3.295  -0.819
  199   2HD2  LEU  29          2HD2      LEU  29  -1.009   2.735  -1.135
  200   3HD2  LEU  29          3HD2      LEU  29   0.343   2.068  -2.044
  201    H    LEU  30           H        LEU  30   4.564   1.566   0.818
  202    HA   LEU  30           HA       LEU  30   4.952   4.281   1.020
  203   1HB   LEU  30          2HB       LEU  30   6.866   1.969   1.139
  204   2HB   LEU  30          1HB       LEU  30   7.455   3.613   1.282
  205    HG   LEU  30           HG       LEU  30   5.214   2.993   3.058
  206   1HD1  LEU  30          1HD1      LEU  30   6.154   1.414   4.404
  207   2HD1  LEU  30          2HD1      LEU  30   7.801   1.837   3.938
  208   3HD1  LEU  30          3HD1      LEU  30   6.793   0.883   2.849
  209   1HD2  LEU  30          1HD2      LEU  30   6.968   3.990   4.676
  210   2HD2  LEU  30          2HD2      LEU  30   6.237   5.033   3.454
  211   3HD2  LEU  30          3HD2      LEU  30   7.858   4.381   3.204
  212    H    GLY  31           H        GLY  31   5.957   2.038  -1.474
  213   1HA   GLY  31          2HA       GLY  31   7.539   3.939  -2.933
  214   2HA   GLY  31          1HA       GLY  31   6.930   2.405  -3.548
  215    H    ALA  32           H        ALA  32   4.194   3.010  -2.832
  216    HA   ALA  32           HA       ALA  32   3.381   4.327  -5.221
  217   1HB   ALA  32          1HB       ALA  32   2.114   2.853  -3.038
  218   2HB   ALA  32          2HB       ALA  32   1.749   2.864  -4.763
  219   3HB   ALA  32          3HB       ALA  32   1.116   4.138  -3.719
  220    H    SER  33           H        SER  33   2.884   5.114  -1.772
  221    HA   SER  33           HA       SER  33   1.713   7.603  -2.109
  222   1HB   SER  33          2HB       SER  33   1.674   7.292   0.124
  223   2HB   SER  33          1HB       SER  33   3.034   6.171   0.058
  224    HG   SER  33           HG       SER  33   3.131   8.470   1.120
  225    H    CYS  34           H        CYS  34   5.103   6.685  -2.044
  226    HA   CYS  34           HA       CYS  34   6.275   9.217  -2.103
  227   1HB   CYS  34          2HB       CYS  34   7.161   6.600  -2.185
  228   2HB   CYS  34          1HB       CYS  34   7.645   7.230  -3.755
  229    H    ARG  35           H        ARG  35   5.044   7.186  -4.709
  230    HA   ARG  35           HA       ARG  35   5.945   8.903  -6.806
  231   1HB   ARG  35          2HB       ARG  35   3.968   6.627  -6.754
  232   2HB   ARG  35          1HB       ARG  35   4.405   7.490  -8.221
  233   1HG   ARG  35          2HG       ARG  35   6.438   6.516  -8.357
  234   2HG   ARG  35          1HG       ARG  35   6.639   6.437  -6.605
  235   1HD   ARG  35          2HD       ARG  35   4.633   4.697  -6.873
  236   2HD   ARG  35          1HD       ARG  35   5.365   4.515  -8.467
  237    HE   ARG  35           HE       ARG  35   7.373   4.379  -6.507
  238   1HH1  ARG  35          1HH1      ARG  35   4.667   2.556  -7.716
  239   2HH1  ARG  35          2HH1      ARG  35   5.337   1.021  -7.276
  240   1HH2  ARG  35          1HH2      ARG  35   8.267   2.367  -5.921
  241   2HH2  ARG  35          2HH2      ARG  35   7.384   0.913  -6.249
  242    H    SER  36           H        SER  36   3.144   8.887  -4.768
  243    HA   SER  36           HA       SER  36   1.581  10.488  -6.602
  244   1HB   SER  36          2HB       SER  36   0.437   8.847  -5.208
  245   2HB   SER  36          1HB       SER  36   1.038   9.631  -3.749
  246    HG   SER  36           HG       SER  36  -0.269  11.339  -5.444
  247    H    ASP  37           H        ASP  37   1.470  11.349  -3.253
  248    HA   ASP  37           HA       ASP  37   3.318  13.423  -3.149
  249   1HB   ASP  37          2HB       ASP  37   1.324  15.232  -3.276
  250   2HB   ASP  37          1HB       ASP  37   2.350  14.830  -4.650
  251    H    THR  38           H        THR  38   0.206  12.152  -2.209
  252    HA   THR  38           HA       THR  38   0.414  13.413   0.422
  253    HB   THR  38           HB       THR  38  -1.834  13.380   0.503
  254    HG1  THR  38           1HG      THR  38  -1.980  11.157   0.809
  255   1HG2  THR  38          1HG2      THR  38  -2.866  13.819  -1.463
  256   2HG2  THR  38          2HG2      THR  38  -2.099  12.468  -2.297
  257   3HG2  THR  38          3HG2      THR  38  -1.187  13.944  -1.986
  258    HA   PRO  39           HA       PRO  39   1.516   9.623   2.380
  259   1HB   PRO  39          2HB       PRO  39   0.491   9.936   4.839
  260   2HB   PRO  39          1HB       PRO  39   1.796  10.971   4.242
  261   1HG   PRO  39          2HG       PRO  39  -1.138  11.533   4.413
  262   2HG   PRO  39          1HG       PRO  39   0.227  12.589   4.813
  263   1HD   PRO  39          2HD       PRO  39  -1.162  12.710   2.450
  264   2HD   PRO  39          1HD       PRO  39   0.524  13.230   2.635
  265    H    ILE  40           H        ILE  40   0.168   8.297   0.974
  266    HA   ILE  40           HA       ILE  40  -2.425   7.608   1.116
  267    HB   ILE  40           HB       ILE  40  -0.110   6.415   0.101
  268   1HG1  ILE  40          2HG1      ILE  40  -2.469   4.864  -0.494
  269   2HG1  ILE  40          1HG1      ILE  40  -2.843   6.585  -0.482
  270   1HG2  ILE  40          1HG2      ILE  40  -1.607   4.442   1.812
  271   2HG2  ILE  40          2HG2      ILE  40   0.096   4.887   1.926
  272   3HG2  ILE  40          3HG2      ILE  40  -0.491   3.998   0.524
  273   1HD1  ILE  40          1HD1      ILE  40  -0.541   5.424  -2.016
  274   2HD1  ILE  40          2HD1      ILE  40  -1.244   7.034  -2.158
  275   3HD1  ILE  40          3HD1      ILE  40  -2.156   5.622  -2.694
  276    H    GLU  41           H        GLU  41  -3.709   6.057   2.280
  277    HA   GLU  41           HA       GLU  41  -2.635   5.458   4.965
  278   1HB   GLU  41          2HB       GLU  41  -5.397   6.321   4.132
  279   2HB   GLU  41          1HB       GLU  41  -5.094   5.537   5.675
  280   1HG   GLU  41          2HG       GLU  41  -3.274   7.738   5.211
  281   2HG   GLU  41          1HG       GLU  41  -4.961   8.245   5.130
  282    H    LEU  42           H        LEU  42  -4.263   3.697   5.998
  283    HA   LEU  42           HA       LEU  42  -4.615   1.586   3.977
  284   1HB   LEU  42          2HB       LEU  42  -2.801   1.585   6.157
  285   2HB   LEU  42          1HB       LEU  42  -4.064   0.425   6.529
  286    HG   LEU  42           HG       LEU  42  -2.117  -0.594   5.382
  287   1HD1  LEU  42          1HD1      LEU  42  -3.811  -2.003   4.972
  288   2HD1  LEU  42          2HD1      LEU  42  -3.691  -1.379   3.327
  289   3HD1  LEU  42          3HD1      LEU  42  -4.891  -0.716   4.435
  290   1HD2  LEU  42          1HD2      LEU  42  -1.194   0.796   3.855
  291   2HD2  LEU  42          2HD2      LEU  42  -2.738   1.537   3.434
  292   3HD2  LEU  42          3HD2      LEU  42  -2.303  -0.037   2.767
  293    H    VAL  43           H        VAL  43  -6.443   0.413   4.086
  294    HA   VAL  43           HA       VAL  43  -8.320   1.089   6.250
  295    HB   VAL  43           HB       VAL  43  -9.412   0.021   3.721
  296   1HG1  VAL  43          1HG1      VAL  43 -10.985   0.605   5.366
  297   2HG1  VAL  43          2HG1      VAL  43 -11.036   1.925   4.196
  298   3HG1  VAL  43          3HG1      VAL  43 -10.171   2.130   5.719
  299   1HG2  VAL  43          1HG2      VAL  43  -7.819   2.508   3.842
  300   2HG2  VAL  43          2HG2      VAL  43  -9.363   2.594   2.995
  301   3HG2  VAL  43          3HG2      VAL  43  -8.140   1.430   2.484
  302    H    HIS  44           H        HIS  44  -7.322  -1.480   4.020
  303    HA   HIS  44           HA       HIS  44  -7.937  -3.453   6.084
  304   1HB   HIS  44          2HB       HIS  44  -8.763  -4.420   3.466
  305   2HB   HIS  44          1HB       HIS  44  -9.629  -4.459   5.000
  306    HD1  HIS  44           1HD      HIS  44 -11.028  -2.276   5.591
  307    HD2  HIS  44           2HD      HIS  44  -9.603  -2.500   1.698
  308    HE1  HIS  44           1HE      HIS  44 -12.292  -0.525   4.310
  309    HE2  HIS  44           2HE      HIS  44 -11.508  -0.765   1.930
  310    H    LYS  45           H        LYS  45  -6.307  -4.828   6.291
  311    HA   LYS  45           HA       LYS  45  -4.104  -4.782   4.467
  312   1HB   LYS  45          2HB       LYS  45  -4.297  -6.920   6.518
  313   2HB   LYS  45          1HB       LYS  45  -2.934  -5.895   6.087
  314   1HG   LYS  45          2HG       LYS  45  -3.331  -4.758   7.947
  315   2HG   LYS  45          1HG       LYS  45  -4.795  -4.146   7.173
  316   1HD   LYS  45          2HD       LYS  45  -6.035  -5.211   8.677
  317   2HD   LYS  45          1HD       LYS  45  -5.346  -6.752   8.157
  318   1HE   LYS  45          2HE       LYS  45  -4.944  -6.562  10.492
  319   2HE   LYS  45          1HE       LYS  45  -3.404  -6.283   9.677
  320   1HZ   LYS  45          1HZ       LYS  45  -4.151  -4.713  11.569
  321   2HZ   LYS  45          2HZ       LYS  45  -5.120  -3.998  10.382
  322   3HZ   LYS  45          3HZ       LYS  45  -3.441  -4.053  10.181
  323    H    GLY  46           H        GLY  46  -5.903  -5.480   2.771
  324   1HA   GLY  46          2HA       GLY  46  -5.147  -8.037   1.841
  325   2HA   GLY  46          1HA       GLY  46  -6.740  -8.133   2.579
  326    H    ARG  47           H        ARG  47  -7.663  -8.659   0.551
  327    HA   ARG  47           HA       ARG  47  -7.508  -6.686  -1.577
  328   1HB   ARG  47          2HB       ARG  47  -9.376  -9.023  -1.642
  329   2HB   ARG  47          1HB       ARG  47  -8.494  -8.265  -2.961
  330   1HG   ARG  47          2HG       ARG  47  -6.437  -9.269  -2.236
  331   2HG   ARG  47          1HG       ARG  47  -7.220  -9.915  -0.790
  332   1HD   ARG  47          2HD       ARG  47  -7.751 -10.677  -3.657
  333   2HD   ARG  47          1HD       ARG  47  -7.022 -11.680  -2.402
  334    HE   ARG  47           HE       ARG  47  -9.553 -10.902  -1.521
  335   1HH1  ARG  47          1HH1      ARG  47  -8.120 -12.849  -4.025
  336   2HH1  ARG  47          2HH1      ARG  47  -9.470 -13.929  -4.139
  337   1HH2  ARG  47          1HH2      ARG  47 -11.338 -12.313  -1.662
  338   2HH2  ARG  47          2HH2      ARG  47 -11.301 -13.624  -2.794
  339    H    CYS  48           H        CYS  48  -8.496  -5.312   0.383
  340    HA   CYS  48           HA       CYS  48 -10.274  -4.173   1.255
  341   1HB   CYS  48          2HB       CYS  48 -10.578  -4.348  -1.653
  342   2HB   CYS  48          1HB       CYS  48 -12.070  -3.957  -0.805
  Start of MODEL    6
    1   1H    LYS   1          1HT       LYS   1   6.653   9.590   9.727
    2   2H    LYS   1          2HT       LYS   1   5.170  10.283  10.241
    3   3H    LYS   1          3HT       LYS   1   6.075  11.021   8.983
    4    HA   LYS   1           HA       LYS   1   4.510   8.551   8.951
    5   1HB   LYS   1          2HB       LYS   1   4.662  10.669   6.837
    6   2HB   LYS   1          1HB       LYS   1   3.312   9.628   7.274
    7   1HG   LYS   1          2HG       LYS   1   2.909  10.904   9.273
    8   2HG   LYS   1          1HG       LYS   1   4.347  11.884   8.977
    9   1HD   LYS   1          2HD       LYS   1   3.284  12.587   6.804
   10   2HD   LYS   1          1HD       LYS   1   1.807  11.798   7.361
   11   1HE   LYS   1          2HE       LYS   1   1.390  13.382   8.941
   12   2HE   LYS   1          1HE       LYS   1   3.100  13.720   9.210
   13   1HZ   LYS   1          1HZ       LYS   1   1.391  15.291   7.823
   14   2HZ   LYS   1          2HZ       LYS   1   2.188  14.456   6.586
   15   3HZ   LYS   1          3HZ       LYS   1   3.079  15.351   7.711
   16    HA   PRO   2           HA       PRO   2   7.409   6.385   6.455
   17   1HB   PRO   2          2HB       PRO   2   5.714   5.298   4.566
   18   2HB   PRO   2          1HB       PRO   2   5.976   4.635   6.182
   19   1HG   PRO   2          2HG       PRO   2   3.756   6.365   5.177
   20   2HG   PRO   2          1HG       PRO   2   3.690   4.988   6.293
   21   1HD   PRO   2          2HD       PRO   2   3.559   7.521   7.174
   22   2HD   PRO   2          1HD       PRO   2   4.393   6.255   8.099
   23    H    ASP   3           H        ASP   3   7.434   5.853   3.805
   24    HA   ASP   3           HA       ASP   3   6.844   8.040   2.111
   25   1HB   ASP   3          2HB       ASP   3   8.965   9.053   1.809
   26   2HB   ASP   3          1HB       ASP   3   8.703   8.997   3.549
   27    H    CYS   4           H        CYS   4   9.076   7.792   0.403
   28    HA   CYS   4           HA       CYS   4   8.361   5.902  -1.375
   29   1HB   CYS   4          2HB       CYS   4  11.274   6.463  -0.855
   30   2HB   CYS   4          1HB       CYS   4  10.494   6.097  -2.392
   31    HA   PRO   5           HA       PRO   5   9.598   1.959   0.162
   32   1HB   PRO   5          2HB       PRO   5   9.978   0.561  -2.075
   33   2HB   PRO   5          1HB       PRO   5   8.404   1.256  -1.684
   34   1HG   PRO   5          2HG       PRO   5  10.424   2.145  -3.668
   35   2HG   PRO   5          1HG       PRO   5   8.661   2.287  -3.720
   36   1HD   PRO   5          2HD       PRO   5  10.528   4.286  -2.959
   37   2HD   PRO   5          1HD       PRO   5   8.763   4.372  -2.840
   38    H    LEU   6           H        LEU   6  11.190   0.085  -0.188
   39    HA   LEU   6           HA       LEU   6  13.809   0.684  -1.137
   40   1HB   LEU   6          2HB       LEU   6  14.986   0.672   0.974
   41   2HB   LEU   6          1HB       LEU   6  13.818   1.981   0.959
   42    HG   LEU   6           HG       LEU   6  13.115  -0.647   2.218
   43   1HD1  LEU   6          1HD1      LEU   6  14.973   1.430   3.250
   44   2HD1  LEU   6          2HD1      LEU   6  14.987  -0.318   3.483
   45   3HD1  LEU   6          3HD1      LEU   6  13.841   0.681   4.375
   46   1HD2  LEU   6          1HD2      LEU   6  11.785   1.779   1.815
   47   2HD2  LEU   6          2HD2      LEU   6  12.209   1.749   3.528
   48   3HD2  LEU   6          3HD2      LEU   6  11.270   0.430   2.828
   49    H    ILE   7           H        ILE   7  11.997  -1.326  -1.669
   50    HA   ILE   7           HA       ILE   7  11.815  -3.583  -1.890
   51    HB   ILE   7           HB       ILE   7  14.683  -3.502  -0.957
   52   1HG1  ILE   7          2HG1      ILE   7  13.683  -3.899  -3.770
   53   2HG1  ILE   7          1HG1      ILE   7  13.954  -2.288  -3.110
   54   1HG2  ILE   7          1HG2      ILE   7  13.438  -5.717  -0.724
   55   2HG2  ILE   7          2HG2      ILE   7  14.942  -5.730  -1.644
   56   3HG2  ILE   7          3HG2      ILE   7  13.393  -5.741  -2.487
   57   1HD1  ILE   7          1HD1      ILE   7  15.819  -3.363  -4.480
   58   2HD1  ILE   7          2HD1      ILE   7  16.101  -4.370  -3.060
   59   3HD1  ILE   7          3HD1      ILE   7  16.249  -2.616  -2.942
   60    H    CYS   8           H        CYS   8  10.262  -3.773  -0.218
   61    HA   CYS   8           HA       CYS   8  11.154  -4.382   2.459
   62   1HB   CYS   8          2HB       CYS   8   8.802  -3.355   1.353
   63   2HB   CYS   8          1HB       CYS   8   8.374  -4.887   2.101
   64    H    THR   9           H        THR   9   8.839  -6.112   0.391
   65    HA   THR   9           HA       THR   9  10.300  -8.560   0.542
   66    HB   THR   9           HB       THR   9   9.410  -8.473   2.840
   67    HG1  THR   9           1HG      THR   9   8.445 -10.529   2.780
   68   1HG2  THR   9          1HG2      THR   9   7.407  -7.566   3.157
   69   2HG2  THR   9          2HG2      THR   9   6.762  -9.126   2.647
   70   3HG2  THR   9          3HG2      THR   9   6.928  -7.816   1.478
   71    H    MET  10           H        MET  10   9.367 -10.249  -0.690
   72    HA   MET  10           HA       MET  10   7.375  -9.283  -2.603
   73   1HB   MET  10          2HB       MET  10   9.753 -10.733  -2.906
   74   2HB   MET  10          1HB       MET  10   8.466 -11.891  -3.220
   75   1HG   MET  10          2HG       MET  10   8.591 -11.089  -5.305
   76   2HG   MET  10          1HG       MET  10   7.586  -9.793  -4.660
   77   1HE   MET  10          1HE       MET  10  11.986  -9.564  -5.891
   78   2HE   MET  10          2HE       MET  10  10.781 -10.734  -6.433
   79   3HE   MET  10          3HE       MET  10  11.423 -10.825  -4.793
   80    H    GLN  11           H        GLN  11   6.810 -10.288   0.149
   81    HA   GLN  11           HA       GLN  11   5.400 -12.779  -0.254
   82   1HB   GLN  11          2HB       GLN  11   6.423 -11.379   1.977
   83   2HB   GLN  11          1HB       GLN  11   4.678 -11.424   2.186
   84   1HG   GLN  11          2HG       GLN  11   5.301 -13.996   1.415
   85   2HG   GLN  11          1HG       GLN  11   6.643 -13.537   2.460
   86   1HE2  GLN  11          1HE2      GLN  11   5.728 -12.176   4.436
   87   2HE2  GLN  11          2HE2      GLN  11   4.461 -12.979   5.295
   88    H    TYR  12           H        TYR  12   4.296 -11.559  -2.073
   89    HA   TYR  12           HA       TYR  12   2.599  -9.660  -2.320
   90   1HB   TYR  12          2HB       TYR  12   2.533 -12.332  -3.251
   91   2HB   TYR  12          1HB       TYR  12   0.888 -11.890  -2.800
   92    HD1  TYR  12           1HD      TYR  12  -0.410 -11.046  -4.495
   93    HD2  TYR  12           2HD      TYR  12   3.777 -10.287  -4.565
   94    HE1  TYR  12           1HE      TYR  12  -0.673  -9.815  -6.606
   95    HE2  TYR  12           2HE      TYR  12   3.522  -9.052  -6.676
   96    HH   TYR  12           HH       TYR  12   0.684  -7.915  -7.810
   97    H    ASP  13           H        ASP  13   1.834  -8.622  -0.568
   98    HA   ASP  13           HA       ASP  13  -0.384  -9.922   0.867
   99   1HB   ASP  13          2HB       ASP  13   1.978  -9.056   2.031
  100   2HB   ASP  13          1HB       ASP  13   0.885  -7.702   2.294
  101    HA   PRO  14           HA       PRO  14  -1.584  -6.199  -1.788
  102   1HB   PRO  14          2HB       PRO  14  -4.056  -7.448  -2.278
  103   2HB   PRO  14          1HB       PRO  14  -2.682  -7.377  -3.385
  104   1HG   PRO  14          2HG       PRO  14  -3.503  -9.552  -1.516
  105   2HG   PRO  14          1HG       PRO  14  -2.796  -9.670  -3.139
  106   1HD   PRO  14          2HD       PRO  14  -1.312 -10.132  -0.973
  107   2HD   PRO  14          1HD       PRO  14  -0.636  -9.243  -2.358
  108    H    VAL  15           H        VAL  15  -1.892  -4.761  -0.144
  109    HA   VAL  15           HA       VAL  15  -4.231  -5.129   1.595
  110    HB   VAL  15           HB       VAL  15  -3.150  -3.475   3.057
  111   1HG1  VAL  15          1HG1      VAL  15  -2.168  -5.177   4.094
  112   2HG1  VAL  15          2HG1      VAL  15  -0.874  -5.206   2.897
  113   3HG1  VAL  15          3HG1      VAL  15  -2.353  -6.125   2.620
  114   1HG2  VAL  15          1HG2      VAL  15  -1.230  -2.359   2.579
  115   2HG2  VAL  15          2HG2      VAL  15  -1.830  -2.580   0.936
  116   3HG2  VAL  15          3HG2      VAL  15  -0.595  -3.663   1.577
  117    H    CYS  16           H        CYS  16  -5.789  -3.660   1.682
  118    HA   CYS  16           HA       CYS  16  -5.991  -1.806  -0.496
  119   1HB   CYS  16          2HB       CYS  16  -7.758  -3.187   1.203
  120   2HB   CYS  16          1HB       CYS  16  -8.022  -1.478   1.459
  121    H    GLY  17           H        GLY  17  -5.145   0.156  -0.444
  122   1HA   GLY  17          2HA       GLY  17  -4.618   1.368   2.168
  123   2HA   GLY  17          1HA       GLY  17  -3.833   1.806   0.663
  124    H    SER  18           H        SER  18  -5.510   3.138   2.859
  125    HA   SER  18           HA       SER  18  -7.875   4.146   1.879
  126   1HB   SER  18          2HB       SER  18  -6.306   6.175   3.275
  127   2HB   SER  18          1HB       SER  18  -7.820   5.405   3.748
  128    HG   SER  18           HG       SER  18  -6.274   4.813   5.230
  129    H    ASP  19           H        ASP  19  -7.814   4.503  -0.213
  130    HA   ASP  19           HA       ASP  19  -7.262   7.027  -1.225
  131   1HB   ASP  19          2HB       ASP  19  -4.956   6.761  -1.333
  132   2HB   ASP  19          1HB       ASP  19  -5.065   5.017  -1.540
  133    H    GLY  20           H        GLY  20  -7.509   3.593  -1.736
  134   1HA   GLY  20          2HA       GLY  20  -9.594   2.880  -2.851
  135   2HA   GLY  20          1HA       GLY  20  -9.219   4.077  -4.083
  136    H    ILE  21           H        ILE  21  -6.805   1.973  -2.555
  137    HA   ILE  21           HA       ILE  21  -6.787   0.332  -4.984
  138    HB   ILE  21           HB       ILE  21  -4.504   2.059  -4.092
  139   1HG1  ILE  21          2HG1      ILE  21  -6.207   1.802  -6.546
  140   2HG1  ILE  21          1HG1      ILE  21  -5.802   3.245  -5.622
  141   1HG2  ILE  21          1HG2      ILE  21  -4.428  -0.310  -5.953
  142   2HG2  ILE  21          2HG2      ILE  21  -3.539  -0.110  -4.443
  143   3HG2  ILE  21          3HG2      ILE  21  -3.151   0.901  -5.836
  144   1HD1  ILE  21          1HD1      ILE  21  -3.511   3.126  -6.473
  145   2HD1  ILE  21          2HD1      ILE  21  -4.700   3.267  -7.767
  146   3HD1  ILE  21          3HD1      ILE  21  -3.950   1.708  -7.423
  147    H    THR  22           H        THR  22  -5.449  -1.524  -4.911
  148    HA   THR  22           HA       THR  22  -4.973  -2.521  -2.180
  149    HB   THR  22           HB       THR  22  -5.601  -4.030  -4.729
  150    HG1  THR  22           1HG      THR  22  -7.288  -2.886  -3.371
  151   1HG2  THR  22          1HG2      THR  22  -5.590  -6.049  -3.501
  152   2HG2  THR  22          2HG2      THR  22  -5.328  -5.199  -1.977
  153   3HG2  THR  22          3HG2      THR  22  -4.049  -5.250  -3.190
  154    H    TYR  23           H        TYR  23  -2.871  -1.982  -1.863
  155    HA   TYR  23           HA       TYR  23  -0.911  -2.283  -3.933
  156   1HB   TYR  23          2HB       TYR  23  -0.488  -1.600  -1.027
  157   2HB   TYR  23          1HB       TYR  23   0.594  -1.272  -2.375
  158    HD1  TYR  23           1HD      TYR  23  -2.523  -0.300  -0.728
  159    HD2  TYR  23           2HD      TYR  23   0.083   0.492  -3.996
  160    HE1  TYR  23           1HE      TYR  23  -3.724   1.797  -1.166
  161    HE2  TYR  23           2HE      TYR  23  -1.103   2.600  -4.432
  162    HH   TYR  23           HH       TYR  23  -2.584   4.100  -3.564
  163    H    GLY  24           H        GLY  24   0.546  -3.765  -4.212
  164   1HA   GLY  24          2HA       GLY  24   0.294  -6.370  -3.491
  165   2HA   GLY  24          1HA       GLY  24   1.848  -5.646  -3.885
  166    H    ASN  25           H        ASN  25   1.603  -3.804  -1.596
  167    HA   ASN  25           HA       ASN  25   1.458  -5.329   0.772
  168   1HB   ASN  25          2HB       ASN  25   4.173  -4.871  -0.428
  169   2HB   ASN  25          1HB       ASN  25   3.971  -5.019   1.312
  170   1HD2  ASN  25          1HD2      ASN  25   5.283  -6.710  -0.791
  171   2HD2  ASN  25          2HD2      ASN  25   4.645  -8.293  -0.529
  172    H    ALA  26           H        ALA  26   1.607  -4.089   2.624
  173    HA   ALA  26           HA       ALA  26   0.953  -1.398   2.448
  174   1HB   ALA  26          1HB       ALA  26   2.182  -2.938   4.731
  175   2HB   ALA  26          2HB       ALA  26   0.470  -2.615   4.455
  176   3HB   ALA  26          3HB       ALA  26   1.561  -1.294   4.874
  177    H    CYS  27           H        CYS  27   4.001  -3.004   2.443
  178    HA   CYS  27           HA       CYS  27   5.631  -0.730   2.985
  179   1HB   CYS  27          2HB       CYS  27   6.122  -3.513   2.015
  180   2HB   CYS  27          1HB       CYS  27   7.360  -2.299   1.751
  181    H    MET  28           H        MET  28   4.467  -2.415   0.133
  182    HA   MET  28           HA       MET  28   5.930  -0.872  -1.738
  183   1HB   MET  28          2HB       MET  28   3.373  -2.464  -2.022
  184   2HB   MET  28          1HB       MET  28   4.317  -1.833  -3.368
  185   1HG   MET  28          2HG       MET  28   5.966  -3.366  -1.555
  186   2HG   MET  28          1HG       MET  28   4.594  -4.309  -2.135
  187   1HE   MET  28          1HE       MET  28   7.731  -5.409  -4.304
  188   2HE   MET  28          2HE       MET  28   6.411  -6.021  -3.307
  189   3HE   MET  28          3HE       MET  28   7.642  -4.975  -2.598
  190    H    LEU  29           H        LEU  29   3.277  -0.252   0.258
  191    HA   LEU  29           HA       LEU  29   1.965   1.668  -1.353
  192   1HB   LEU  29          2HB       LEU  29   1.547   0.403   1.137
  193   2HB   LEU  29          1HB       LEU  29   1.544   2.136   1.424
  194    HG   LEU  29           HG       LEU  29  -0.276   0.514  -0.276
  195   1HD1  LEU  29          1HD1      LEU  29  -1.377   2.737   1.184
  196   2HD1  LEU  29          2HD1      LEU  29  -0.445   1.673   2.236
  197   3HD1  LEU  29          3HD1      LEU  29  -1.775   1.022   1.278
  198   1HD2  LEU  29          1HD2      LEU  29   0.232   2.146  -1.846
  199   2HD2  LEU  29          2HD2      LEU  29   0.493   3.379  -0.622
  200   3HD2  LEU  29          3HD2      LEU  29  -1.144   2.853  -1.004
  201    H    LEU  30           H        LEU  30   3.871   2.052   1.648
  202    HA   LEU  30           HA       LEU  30   4.035   4.809   1.547
  203   1HB   LEU  30          2HB       LEU  30   6.117   4.654   2.830
  204   2HB   LEU  30          1HB       LEU  30   4.890   3.569   3.452
  205    HG   LEU  30           HG       LEU  30   6.573   2.221   1.527
  206   1HD1  LEU  30          1HD1      LEU  30   7.921   4.090   3.188
  207   2HD1  LEU  30          2HD1      LEU  30   8.609   2.895   2.088
  208   3HD1  LEU  30          3HD1      LEU  30   8.290   2.466   3.768
  209   1HD2  LEU  30          1HD2      LEU  30   5.962   1.825   4.450
  210   2HD2  LEU  30          2HD2      LEU  30   6.828   0.670   3.437
  211   3HD2  LEU  30          3HD2      LEU  30   5.146   1.067   3.082
  212    H    GLY  31           H        GLY  31   5.716   2.393  -0.317
  213   1HA   GLY  31          2HA       GLY  31   7.595   4.213  -1.489
  214   2HA   GLY  31          1HA       GLY  31   7.217   2.595  -2.065
  215    H    ALA  32           H        ALA  32   4.375   3.112  -2.175
  216    HA   ALA  32           HA       ALA  32   4.227   4.175  -4.822
  217   1HB   ALA  32          1HB       ALA  32   1.737   3.802  -4.449
  218   2HB   ALA  32          2HB       ALA  32   2.191   3.125  -2.883
  219   3HB   ALA  32          3HB       ALA  32   2.780   2.382  -4.370
  220    H    SER  33           H        SER  33   2.717   5.133  -1.730
  221    HA   SER  33           HA       SER  33   1.512   7.468  -2.494
  222   1HB   SER  33          2HB       SER  33   2.716   8.058  -0.007
  223   2HB   SER  33          1HB       SER  33   1.085   7.450  -0.289
  224    HG   SER  33           HG       SER  33   2.379   6.125   1.123
  225    H    CYS  34           H        CYS  34   4.898   6.817  -1.978
  226    HA   CYS  34           HA       CYS  34   5.787   9.521  -2.018
  227   1HB   CYS  34          2HB       CYS  34   7.390   8.115  -1.123
  228   2HB   CYS  34          1HB       CYS  34   7.094   6.854  -2.314
  229    H    ARG  35           H        ARG  35   5.633   7.021  -4.531
  230    HA   ARG  35           HA       ARG  35   6.747   8.525  -6.610
  231   1HB   ARG  35          2HB       ARG  35   4.683   6.323  -6.788
  232   2HB   ARG  35          1HB       ARG  35   5.673   6.906  -8.119
  233   1HG   ARG  35          2HG       ARG  35   6.735   5.624  -5.612
  234   2HG   ARG  35          1HG       ARG  35   6.503   4.803  -7.156
  235   1HD   ARG  35          2HD       ARG  35   8.083   7.295  -7.228
  236   2HD   ARG  35          1HD       ARG  35   8.824   5.933  -6.391
  237    HE   ARG  35           HE       ARG  35   8.941   4.771  -8.404
  238   1HH1  ARG  35          1HH1      ARG  35   7.336   7.842  -8.825
  239   2HH1  ARG  35          2HH1      ARG  35   7.460   7.811 -10.551
  240   1HH2  ARG  35          1HH2      ARG  35   9.112   4.734 -10.673
  241   2HH2  ARG  35          2HH2      ARG  35   8.469   6.046 -11.601
  242    H    SER  36           H        SER  36   3.566   8.567  -5.229
  243    HA   SER  36           HA       SER  36   2.435  10.026  -7.463
  244   1HB   SER  36          2HB       SER  36   1.087   8.345  -6.277
  245   2HB   SER  36          1HB       SER  36   1.217   9.284  -4.793
  246    HG   SER  36           HG       SER  36   0.280  10.642  -7.023
  247    H    ASP  37           H        ASP  37   1.242  11.098  -4.449
  248    HA   ASP  37           HA       ASP  37   2.979  13.183  -3.819
  249   1HB   ASP  37          2HB       ASP  37   1.697  15.102  -4.770
  250   2HB   ASP  37          1HB       ASP  37   2.487  14.111  -5.992
  251    H    THR  38           H        THR  38   1.213  11.257  -2.594
  252    HA   THR  38           HA       THR  38  -0.047  12.997  -0.678
  253    HB   THR  38           HB       THR  38  -2.025  11.026  -1.436
  254    HG1  THR  38           1HG      THR  38  -2.552  12.319  -3.409
  255   1HG2  THR  38          1HG2      THR  38  -2.198  14.027  -1.521
  256   2HG2  THR  38          2HG2      THR  38  -2.447  13.052  -0.073
  257   3HG2  THR  38          3HG2      THR  38  -3.533  12.876  -1.451
  258    HA   PRO  39           HA       PRO  39   1.512   9.559   1.701
  259   1HB   PRO  39          2HB       PRO  39   0.220  10.872   3.983
  260   2HB   PRO  39          1HB       PRO  39   1.933  10.559   3.693
  261   1HG   PRO  39          2HG       PRO  39   0.886  13.043   3.593
  262   2HG   PRO  39          1HG       PRO  39   2.243  12.540   2.568
  263   1HD   PRO  39          2HD       PRO  39  -0.655  12.827   1.873
  264   2HD   PRO  39          1HD       PRO  39   0.786  13.253   0.923
  265    H    ILE  40           H        ILE  40  -0.331   8.383   0.487
  266    HA   ILE  40           HA       ILE  40  -2.877   8.017   1.431
  267    HB   ILE  40           HB       ILE  40  -2.756   5.737   0.472
  268   1HG1  ILE  40          2HG1      ILE  40   0.103   6.244   0.795
  269   2HG1  ILE  40          1HG1      ILE  40  -0.752   4.717   0.623
  270   1HG2  ILE  40          1HG2      ILE  40  -2.240   6.462  -1.838
  271   2HG2  ILE  40          2HG2      ILE  40  -1.562   7.952  -1.183
  272   3HG2  ILE  40          3HG2      ILE  40  -3.276   7.594  -0.970
  273   1HD1  ILE  40          1HD1      ILE  40  -0.112   6.514  -1.698
  274   2HD1  ILE  40          2HD1      ILE  40  -0.667   4.840  -1.740
  275   3HD1  ILE  40          3HD1      ILE  40   0.948   5.219  -1.143
  276    H    GLU  41           H        GLU  41  -3.602   5.763   2.412
  277    HA   GLU  41           HA       GLU  41  -1.867   5.071   4.681
  278   1HB   GLU  41          2HB       GLU  41  -4.750   5.940   4.887
  279   2HB   GLU  41          1HB       GLU  41  -3.874   5.147   6.189
  280   1HG   GLU  41          2HG       GLU  41  -2.799   7.016   6.763
  281   2HG   GLU  41          1HG       GLU  41  -2.498   7.475   5.087
  282    H    LEU  42           H        LEU  42  -3.232   3.286   6.034
  283    HA   LEU  42           HA       LEU  42  -4.070   1.274   4.048
  284   1HB   LEU  42          2HB       LEU  42  -2.017   1.152   6.000
  285   2HB   LEU  42          1HB       LEU  42  -3.289   0.063   6.522
  286    HG   LEU  42           HG       LEU  42  -1.590  -1.096   5.183
  287   1HD1  LEU  42          1HD1      LEU  42  -4.399  -1.111   4.747
  288   2HD1  LEU  42          2HD1      LEU  42  -3.248  -2.439   4.607
  289   3HD1  LEU  42          3HD1      LEU  42  -3.588  -1.416   3.211
  290   1HD2  LEU  42          1HD2      LEU  42  -1.957  -0.438   2.595
  291   2HD2  LEU  42          2HD2      LEU  42  -0.654   0.199   3.598
  292   3HD2  LEU  42          3HD2      LEU  42  -2.121   1.147   3.353
  293    H    VAL  43           H        VAL  43  -5.915   0.104   4.432
  294    HA   VAL  43           HA       VAL  43  -7.439   0.827   6.847
  295    HB   VAL  43           HB       VAL  43  -8.888   0.109   4.345
  296   1HG1  VAL  43          1HG1      VAL  43  -9.483   2.082   6.547
  297   2HG1  VAL  43          2HG1      VAL  43 -10.064   0.418   6.492
  298   3HG1  VAL  43          3HG1      VAL  43 -10.580   1.573   5.264
  299   1HG2  VAL  43          1HG2      VAL  43  -7.297   2.574   4.753
  300   2HG2  VAL  43          2HG2      VAL  43  -8.906   2.752   4.055
  301   3HG2  VAL  43          3HG2      VAL  43  -7.711   1.724   3.265
  302    H    HIS  44           H        HIS  44  -6.947  -1.612   4.331
  303    HA   HIS  44           HA       HIS  44  -7.558  -3.690   6.299
  304   1HB   HIS  44          2HB       HIS  44  -8.616  -4.350   3.656
  305   2HB   HIS  44          1HB       HIS  44  -9.370  -4.509   5.240
  306    HD1  HIS  44           1HD      HIS  44 -10.475  -2.236   6.194
  307    HD2  HIS  44           2HD      HIS  44  -9.563  -2.290   2.145
  308    HE1  HIS  44           1HE      HIS  44 -11.754  -0.319   5.191
  309    HE2  HIS  44           2HE      HIS  44 -11.187  -0.367   2.738
  310    H    LYS  45           H        LYS  45  -6.569  -5.692   5.899
  311    HA   LYS  45           HA       LYS  45  -4.244  -5.512   4.143
  312   1HB   LYS  45          2HB       LYS  45  -4.964  -7.105   6.549
  313   2HB   LYS  45          1HB       LYS  45  -3.865  -7.849   5.396
  314   1HG   LYS  45          2HG       LYS  45  -2.162  -6.493   5.946
  315   2HG   LYS  45          1HG       LYS  45  -3.207  -5.084   6.138
  316   1HD   LYS  45          2HD       LYS  45  -2.878  -5.332   8.336
  317   2HD   LYS  45          1HD       LYS  45  -3.971  -6.712   8.222
  318   1HE   LYS  45          2HE       LYS  45  -2.099  -7.582   9.302
  319   2HE   LYS  45          1HE       LYS  45  -1.874  -8.066   7.622
  320   1HZ   LYS  45          1HZ       LYS  45  -0.425  -6.095   7.353
  321   2HZ   LYS  45          2HZ       LYS  45   0.181  -7.223   8.459
  322   3HZ   LYS  45          3HZ       LYS  45  -0.551  -5.804   9.015
  323    H    GLY  46           H        GLY  46  -6.103  -5.712   2.398
  324   1HA   GLY  46          2HA       GLY  46  -5.700  -8.097   1.026
  325   2HA   GLY  46          1HA       GLY  46  -7.203  -8.279   1.917
  326    H    ARG  47           H        ARG  47  -8.448  -8.386   0.048
  327    HA   ARG  47           HA       ARG  47  -8.389  -6.165  -1.819
  328   1HB   ARG  47          2HB       ARG  47 -10.468  -8.314  -1.883
  329   2HB   ARG  47          1HB       ARG  47  -9.709  -7.459  -3.219
  330   1HG   ARG  47          2HG       ARG  47  -7.664  -8.700  -2.904
  331   2HG   ARG  47          1HG       ARG  47  -8.335  -9.496  -1.480
  332   1HD   ARG  47          2HD       ARG  47  -8.686 -11.096  -3.092
  333   2HD   ARG  47          1HD       ARG  47 -10.218 -10.225  -3.130
  334    HE   ARG  47           HE       ARG  47  -9.754  -9.659  -5.285
  335   1HH1  ARG  47          1HH1      ARG  47  -6.752 -10.375  -3.671
  336   2HH1  ARG  47          2HH1      ARG  47  -5.791 -10.187  -5.099
  337   1HH2  ARG  47          1HH2      ARG  47  -8.497  -9.414  -7.172
  338   2HH2  ARG  47          2HH2      ARG  47  -6.782  -9.643  -7.089
  339    H    CYS  48           H        CYS  48  -8.962  -4.978   0.411
  340    HA   CYS  48           HA       CYS  48 -10.489  -3.825   1.662
  341   1HB   CYS  48          2HB       CYS  48 -11.270  -3.639  -1.184
  342   2HB   CYS  48          1HB       CYS  48 -12.453  -3.058  -0.014
  Start of MODEL    7
    1   1H    LYS   1          1HT       LYS   1  13.606   6.244   8.288
    2   2H    LYS   1          2HT       LYS   1  14.127   7.230   6.984
    3   3H    LYS   1          3HT       LYS   1  14.959   5.773   7.348
    4    HA   LYS   1           HA       LYS   1  13.692   5.275   5.523
    5   1HB   LYS   1          2HB       LYS   1  12.329   4.451   8.090
    6   2HB   LYS   1          1HB       LYS   1  11.911   3.767   6.524
    7   1HG   LYS   1          2HG       LYS   1  14.744   3.719   7.472
    8   2HG   LYS   1          1HG       LYS   1  13.583   2.528   8.063
    9   1HD   LYS   1          2HD       LYS   1  13.114   1.812   5.796
   10   2HD   LYS   1          1HD       LYS   1  14.179   3.064   5.153
   11   1HE   LYS   1          2HE       LYS   1  15.461   1.339   7.131
   12   2HE   LYS   1          1HE       LYS   1  14.897   0.471   5.704
   13   1HZ   LYS   1          1HZ       LYS   1  16.306   1.625   4.332
   14   2HZ   LYS   1          2HZ       LYS   1  17.247   1.532   5.735
   15   3HZ   LYS   1          3HZ       LYS   1  16.423   2.962   5.366
   16    HA   PRO   2           HA       PRO   2  10.685   8.846   5.433
   17   1HB   PRO   2          2HB       PRO   2  11.396   8.511   2.568
   18   2HB   PRO   2          1HB       PRO   2  11.275   9.986   3.533
   19   1HG   PRO   2          2HG       PRO   2  13.654   8.995   2.849
   20   2HG   PRO   2          1HG       PRO   2  13.391   9.719   4.448
   21   1HD   PRO   2          2HD       PRO   2  13.576   6.838   3.673
   22   2HD   PRO   2          1HD       PRO   2  14.177   7.657   5.131
   23    H    ASP   3           H        ASP   3   9.189   8.988   3.118
   24    HA   ASP   3           HA       ASP   3   7.372   6.763   3.478
   25   1HB   ASP   3          2HB       ASP   3   7.179   9.197   1.700
   26   2HB   ASP   3          1HB       ASP   3   5.886   8.035   1.983
   27    H    CYS   4           H        CYS   4   9.732   5.850   2.420
   28    HA   CYS   4           HA       CYS   4   8.800   4.757  -0.090
   29   1HB   CYS   4          2HB       CYS   4  11.616   5.739  -0.046
   30   2HB   CYS   4          1HB       CYS   4  10.547   5.474  -1.419
   31    HA   PRO   5           HA       PRO   5  11.063   1.346   1.663
   32   1HB   PRO   5          2HB       PRO   5  10.203  -0.520  -0.030
   33   2HB   PRO   5          1HB       PRO   5   9.073   0.308   1.046
   34   1HG   PRO   5          2HG       PRO   5   9.449   0.602  -1.872
   35   2HG   PRO   5          1HG       PRO   5   8.011   0.912  -0.886
   36   1HD   PRO   5          2HD       PRO   5   9.973   2.805  -1.828
   37   2HD   PRO   5          1HD       PRO   5   8.510   3.119  -0.878
   38    H    LEU   6           H        LEU   6  12.267  -0.667   0.576
   39    HA   LEU   6           HA       LEU   6  13.903   0.128  -1.699
   40   1HB   LEU   6          2HB       LEU   6  14.906   0.754   0.691
   41   2HB   LEU   6          1HB       LEU   6  15.381  -0.933   0.659
   42    HG   LEU   6           HG       LEU   6  16.434  -0.394  -1.631
   43   1HD1  LEU   6          1HD1      LEU   6  17.056   2.299  -0.925
   44   2HD1  LEU   6          2HD1      LEU   6  15.305   2.118  -1.036
   45   3HD1  LEU   6          3HD1      LEU   6  16.326   1.677  -2.405
   46   1HD2  LEU   6          1HD2      LEU   6  17.390   0.182   1.090
   47   2HD2  LEU   6          2HD2      LEU   6  18.329   0.912  -0.214
   48   3HD2  LEU   6          3HD2      LEU   6  18.088  -0.835  -0.171
   49    H    ILE   7           H        ILE   7  12.187  -1.653  -2.169
   50    HA   ILE   7           HA       ILE   7  11.799  -3.791  -2.844
   51    HB   ILE   7           HB       ILE   7  14.750  -4.096  -2.285
   52   1HG1  ILE   7          2HG1      ILE   7  13.754  -2.565  -4.180
   53   2HG1  ILE   7          1HG1      ILE   7  15.131  -3.610  -4.513
   54   1HG2  ILE   7          1HG2      ILE   7  14.251  -6.293  -2.275
   55   2HG2  ILE   7          2HG2      ILE   7  14.181  -6.079  -4.025
   56   3HG2  ILE   7          3HG2      ILE   7  12.696  -6.051  -3.072
   57   1HD1  ILE   7          1HD1      ILE   7  13.325  -3.593  -6.249
   58   2HD1  ILE   7          2HD1      ILE   7  12.293  -4.409  -5.074
   59   3HD1  ILE   7          3HD1      ILE   7  13.773  -5.184  -5.637
   60    H    CYS   8           H        CYS   8  10.425  -4.176  -1.077
   61    HA   CYS   8           HA       CYS   8  11.478  -5.139   1.401
   62   1HB   CYS   8          2HB       CYS   8   9.062  -4.038   0.564
   63   2HB   CYS   8          1HB       CYS   8   8.682  -5.655   1.136
   64    H    THR   9           H        THR   9   8.920  -6.740  -0.442
   65    HA   THR   9           HA       THR   9  10.423  -9.116  -0.873
   66    HB   THR   9           HB       THR   9  10.229  -9.377   1.510
   67    HG1  THR   9           1HG      THR   9   8.651 -11.250   1.474
   68   1HG2  THR   9          1HG2      THR   9   7.437  -8.528   1.070
   69   2HG2  THR   9          2HG2      THR   9   8.527  -8.202   2.417
   70   3HG2  THR   9          3HG2      THR   9   7.718  -9.765   2.295
   71    H    MET  10           H        MET  10   8.732 -11.039  -1.160
   72    HA   MET  10           HA       MET  10   6.625  -9.964  -2.906
   73   1HB   MET  10          2HB       MET  10   7.359 -12.821  -3.124
   74   2HB   MET  10          1HB       MET  10   7.007 -11.651  -4.386
   75   1HG   MET  10          2HG       MET  10   9.221 -12.039  -4.764
   76   2HG   MET  10          1HG       MET  10   9.312 -10.645  -3.688
   77   1HE   MET  10          1HE       MET  10  12.309 -11.963  -2.954
   78   2HE   MET  10          2HE       MET  10  11.486 -12.270  -4.483
   79   3HE   MET  10          3HE       MET  10  12.037 -13.620  -3.490
   80    H    GLN  11           H        GLN  11   6.789 -10.797   0.107
   81    HA   GLN  11           HA       GLN  11   4.950 -12.927   0.438
   82   1HB   GLN  11          2HB       GLN  11   5.933 -10.723   2.238
   83   2HB   GLN  11          1HB       GLN  11   4.672 -11.829   2.764
   84   1HG   GLN  11          2HG       GLN  11   7.399 -12.678   1.824
   85   2HG   GLN  11          1HG       GLN  11   6.942 -12.463   3.513
   86   1HE2  GLN  11          1HE2      GLN  11   5.103 -13.773   4.271
   87   2HE2  GLN  11          2HE2      GLN  11   4.927 -15.375   3.646
   88    H    TYR  12           H        TYR  12   3.689 -11.870  -1.405
   89    HA   TYR  12           HA       TYR  12   2.179  -9.809  -1.673
   90   1HB   TYR  12          2HB       TYR  12   1.680 -12.600  -2.135
   91   2HB   TYR  12          1HB       TYR  12   0.181 -11.773  -1.731
   92    HD1  TYR  12           1HD      TYR  12   1.310 -13.019  -4.434
   93    HD2  TYR  12           2HD      TYR  12   0.870  -9.073  -2.909
   94    HE1  TYR  12           1HE      TYR  12   1.167 -12.153  -6.730
   95    HE2  TYR  12           2HE      TYR  12   0.724  -8.195  -5.201
   96    HH   TYR  12           HH       TYR  12   0.129  -9.012  -7.452
   97    H    ASP  13           H        ASP  13   1.798  -8.522   0.053
   98    HA   ASP  13           HA       ASP  13  -0.271  -9.442   1.935
   99   1HB   ASP  13          2HB       ASP  13   2.280  -8.405   2.525
  100   2HB   ASP  13          1HB       ASP  13   1.154  -7.089   2.847
  101    HA   PRO  14           HA       PRO  14  -1.636  -6.138  -1.175
  102   1HB   PRO  14          2HB       PRO  14  -4.147  -7.395  -1.297
  103   2HB   PRO  14          1HB       PRO  14  -2.864  -7.501  -2.504
  104   1HG   PRO  14          2HG       PRO  14  -3.559  -9.384  -0.303
  105   2HG   PRO  14          1HG       PRO  14  -2.959  -9.732  -1.936
  106   1HD   PRO  14          2HD       PRO  14  -1.346  -9.910   0.180
  107   2HD   PRO  14          1HD       PRO  14  -0.753  -9.245  -1.360
  108    H    VAL  15           H        VAL  15  -1.810  -4.470   0.231
  109    HA   VAL  15           HA       VAL  15  -4.090  -4.495   2.075
  110    HB   VAL  15           HB       VAL  15  -2.894  -2.786   3.349
  111   1HG1  VAL  15          1HG1      VAL  15  -1.832  -4.339   4.547
  112   2HG1  VAL  15          2HG1      VAL  15  -0.727  -4.717   3.225
  113   3HG1  VAL  15          3HG1      VAL  15  -2.320  -5.470   3.285
  114   1HG2  VAL  15          1HG2      VAL  15  -1.234  -2.725   0.991
  115   2HG2  VAL  15          2HG2      VAL  15  -0.273  -2.909   2.459
  116   3HG2  VAL  15          3HG2      VAL  15  -1.381  -1.546   2.294
  117    H    CYS  16           H        CYS  16  -5.695  -3.254   1.590
  118    HA   CYS  16           HA       CYS  16  -5.522  -1.404  -0.595
  119   1HB   CYS  16          2HB       CYS  16  -7.556  -2.848   0.728
  120   2HB   CYS  16          1HB       CYS  16  -7.932  -1.148   0.882
  121    H    GLY  17           H        GLY  17  -4.766   0.588  -0.370
  122   1HA   GLY  17          2HA       GLY  17  -4.742   1.769   2.292
  123   2HA   GLY  17          1HA       GLY  17  -3.810   2.321   0.912
  124    H    SER  18           H        SER  18  -5.820   3.475   2.897
  125    HA   SER  18           HA       SER  18  -8.134   4.274   1.684
  126   1HB   SER  18          2HB       SER  18  -8.387   5.551   3.525
  127   2HB   SER  18          1HB       SER  18  -6.832   4.902   4.044
  128    HG   SER  18           HG       SER  18  -7.474   7.419   3.316
  129    H    ASP  19           H        ASP  19  -8.001   4.664  -0.362
  130    HA   ASP  19           HA       ASP  19  -7.644   7.188  -1.382
  131   1HB   ASP  19          2HB       ASP  19  -5.129   5.866  -1.012
  132   2HB   ASP  19          1HB       ASP  19  -5.435   6.008  -2.739
  133    H    GLY  20           H        GLY  20  -7.524   3.751  -1.793
  134   1HA   GLY  20          2HA       GLY  20  -9.205   2.715  -3.186
  135   2HA   GLY  20          1HA       GLY  20  -8.972   4.026  -4.336
  136    H    ILE  21           H        ILE  21  -6.343   2.378  -2.654
  137    HA   ILE  21           HA       ILE  21  -5.696   1.032  -5.196
  138    HB   ILE  21           HB       ILE  21  -3.807   2.719  -3.572
  139   1HG1  ILE  21          2HG1      ILE  21  -5.258   3.953  -5.129
  140   2HG1  ILE  21          1HG1      ILE  21  -3.575   3.997  -5.649
  141   1HG2  ILE  21          1HG2      ILE  21  -3.284   0.745  -5.775
  142   2HG2  ILE  21          2HG2      ILE  21  -2.530   0.844  -4.183
  143   3HG2  ILE  21          3HG2      ILE  21  -2.168   2.062  -5.407
  144   1HD1  ILE  21          1HD1      ILE  21  -4.209   2.007  -7.143
  145   2HD1  ILE  21          2HD1      ILE  21  -4.755   3.619  -7.606
  146   3HD1  ILE  21          3HD1      ILE  21  -5.874   2.496  -6.832
  147    H    THR  22           H        THR  22  -5.258  -1.029  -4.974
  148    HA   THR  22           HA       THR  22  -4.704  -2.141  -2.331
  149    HB   THR  22           HB       THR  22  -5.118  -3.583  -4.962
  150    HG1  THR  22           1HG      THR  22  -7.163  -3.298  -4.676
  151   1HG2  THR  22          1HG2      THR  22  -5.690  -5.506  -3.589
  152   2HG2  THR  22          2HG2      THR  22  -5.315  -4.585  -2.133
  153   3HG2  THR  22          3HG2      THR  22  -4.037  -4.972  -3.285
  154    H    TYR  23           H        TYR  23  -2.605  -1.734  -1.859
  155    HA   TYR  23           HA       TYR  23  -0.539  -1.973  -3.833
  156   1HB   TYR  23          2HB       TYR  23  -0.212  -1.601  -0.855
  157   2HB   TYR  23          1HB       TYR  23   0.920  -1.165  -2.127
  158    HD1  TYR  23           1HD      TYR  23  -2.345  -0.336  -0.629
  159    HD2  TYR  23           2HD      TYR  23   0.699   0.910  -3.324
  160    HE1  TYR  23           1HE      TYR  23  -3.421   1.863  -0.807
  161    HE2  TYR  23           2HE      TYR  23  -0.368   3.125  -3.497
  162    HH   TYR  23           HH       TYR  23  -2.354   4.376  -1.479
  163    H    GLY  24           H        GLY  24   1.177  -3.400  -3.845
  164   1HA   GLY  24          2HA       GLY  24   0.567  -6.094  -3.380
  165   2HA   GLY  24          1HA       GLY  24   2.175  -5.465  -3.712
  166    H    ASN  25           H        ASN  25   1.493  -3.737  -1.176
  167    HA   ASN  25           HA       ASN  25   1.254  -5.135   1.093
  168   1HB   ASN  25          2HB       ASN  25   3.703  -5.560   1.735
  169   2HB   ASN  25          1HB       ASN  25   2.942  -6.708   0.640
  170   1HD2  ASN  25          1HD2      ASN  25   4.307  -7.352  -0.857
  171   2HD2  ASN  25          2HD2      ASN  25   5.470  -6.363  -1.667
  172    H    ALA  26           H        ALA  26   1.974  -4.012   2.981
  173    HA   ALA  26           HA       ALA  26   1.755  -1.294   2.895
  174   1HB   ALA  26          1HB       ALA  26   3.131  -1.431   5.128
  175   2HB   ALA  26          2HB       ALA  26   2.941  -3.168   4.888
  176   3HB   ALA  26          3HB       ALA  26   1.518  -2.134   5.019
  177    H    CYS  27           H        CYS  27   4.514  -3.246   2.199
  178    HA   CYS  27           HA       CYS  27   6.449  -1.123   2.427
  179   1HB   CYS  27          2HB       CYS  27   6.547  -3.881   1.206
  180   2HB   CYS  27          1HB       CYS  27   7.889  -2.755   1.116
  181    H    MET  28           H        MET  28   4.768  -2.784  -0.186
  182    HA   MET  28           HA       MET  28   5.914  -1.340  -2.304
  183   1HB   MET  28          2HB       MET  28   3.316  -2.846  -1.989
  184   2HB   MET  28          1HB       MET  28   3.827  -2.135  -3.519
  185   1HG   MET  28          2HG       MET  28   5.975  -3.680  -2.421
  186   2HG   MET  28          1HG       MET  28   4.508  -4.655  -2.456
  187   1HE   MET  28          1HE       MET  28   2.942  -3.481  -4.448
  188   2HE   MET  28          2HE       MET  28   3.195  -4.681  -5.715
  189   3HE   MET  28          3HE       MET  28   3.610  -2.991  -6.006
  190    H    LEU  29           H        LEU  29   3.578  -0.633   0.077
  191    HA   LEU  29           HA       LEU  29   2.191   1.466  -1.205
  192   1HB   LEU  29          2HB       LEU  29   2.201   0.165   1.317
  193   2HB   LEU  29          1HB       LEU  29   2.371   1.886   1.605
  194    HG   LEU  29           HG       LEU  29   0.143   0.482   0.166
  195   1HD1  LEU  29          1HD1      LEU  29  -1.195   1.148   1.933
  196   2HD1  LEU  29          2HD1      LEU  29  -0.061   2.396   2.450
  197   3HD1  LEU  29          3HD1      LEU  29   0.313   0.696   2.728
  198   1HD2  LEU  29          1HD2      LEU  29   0.704   3.432   0.405
  199   2HD2  LEU  29          2HD2      LEU  29  -0.814   2.738  -0.154
  200   3HD2  LEU  29          3HD2      LEU  29   0.663   2.487  -1.081
  201    H    LEU  30           H        LEU  30   4.911   1.355   1.065
  202    HA   LEU  30           HA       LEU  30   5.404   4.039   1.369
  203   1HB   LEU  30          2HB       LEU  30   7.330   1.730   1.136
  204   2HB   LEU  30          1HB       LEU  30   7.862   3.359   1.507
  205    HG   LEU  30           HG       LEU  30   5.714   2.496   3.255
  206   1HD1  LEU  30          1HD1      LEU  30   7.929   1.078   4.279
  207   2HD1  LEU  30          2HD1      LEU  30   7.678   0.532   2.622
  208   3HD1  LEU  30          3HD1      LEU  30   6.358   0.442   3.788
  209   1HD2  LEU  30          1HD2      LEU  30   8.387   3.774   3.435
  210   2HD2  LEU  30          2HD2      LEU  30   7.713   3.042   4.891
  211   3HD2  LEU  30          3HD2      LEU  30   6.827   4.316   4.054
  212    H    GLY  31           H        GLY  31   6.190   1.904  -1.304
  213   1HA   GLY  31          2HA       GLY  31   7.750   3.770  -2.785
  214   2HA   GLY  31          1HA       GLY  31   6.907   2.372  -3.455
  215    H    ALA  32           H        ALA  32   4.348   3.094  -2.487
  216    HA   ALA  32           HA       ALA  32   3.464   4.779  -4.597
  217   1HB   ALA  32          1HB       ALA  32   1.349   4.151  -3.983
  218   2HB   ALA  32          2HB       ALA  32   1.736   4.141  -2.263
  219   3HB   ALA  32          3HB       ALA  32   2.282   2.822  -3.296
  220    H    SER  33           H        SER  33   3.081   5.125  -1.071
  221    HA   SER  33           HA       SER  33   2.279   7.748  -0.980
  222   1HB   SER  33          2HB       SER  33   2.346   6.423   1.037
  223   2HB   SER  33          1HB       SER  33   4.098   6.263   0.929
  224    HG   SER  33           HG       SER  33   3.448   7.881   2.424
  225    H    CYS  34           H        CYS  34   5.511   6.460  -1.379
  226    HA   CYS  34           HA       CYS  34   7.041   8.741  -1.021
  227   1HB   CYS  34          2HB       CYS  34   7.867   6.370  -1.457
  228   2HB   CYS  34          1HB       CYS  34   7.599   6.696  -3.163
  229    H    ARG  35           H        ARG  35   5.516   7.553  -3.996
  230    HA   ARG  35           HA       ARG  35   5.576  10.299  -5.029
  231   1HB   ARG  35          2HB       ARG  35   6.624   7.928  -6.573
  232   2HB   ARG  35          1HB       ARG  35   6.455   9.563  -7.195
  233   1HG   ARG  35          2HG       ARG  35   8.391  10.204  -6.308
  234   2HG   ARG  35          1HG       ARG  35   8.011   9.471  -4.748
  235   1HD   ARG  35          2HD       ARG  35   9.779   8.164  -5.336
  236   2HD   ARG  35          1HD       ARG  35   8.486   7.243  -6.104
  237    HE   ARG  35           HE       ARG  35   9.564   9.208  -7.859
  238   1HH1  ARG  35          1HH1      ARG  35  10.160   6.056  -6.505
  239   2HH1  ARG  35          2HH1      ARG  35  11.125   5.521  -7.840
  240   1HH2  ARG  35          1HH2      ARG  35  10.830   8.515  -9.623
  241   2HH2  ARG  35          2HH2      ARG  35  11.504   6.918  -9.615
  242    H    SER  36           H        SER  36   3.293   9.235  -4.140
  243    HA   SER  36           HA       SER  36   1.869   8.129  -6.445
  244   1HB   SER  36          2HB       SER  36   1.589   7.105  -4.159
  245   2HB   SER  36          1HB       SER  36   0.791   8.595  -3.658
  246    HG   SER  36           HG       SER  36  -0.937   7.691  -4.429
  247    H    ASP  37           H        ASP  37   0.889  10.432  -3.939
  248    HA   ASP  37           HA       ASP  37   0.645  12.693  -5.549
  249   1HB   ASP  37          2HB       ASP  37  -1.215  10.912  -6.383
  250   2HB   ASP  37          1HB       ASP  37  -2.127  11.738  -5.123
  251    H    THR  38           H        THR  38  -0.704  10.822  -2.907
  252    HA   THR  38           HA       THR  38  -0.391  13.077  -1.121
  253    HB   THR  38           HB       THR  38  -2.865  12.717  -2.288
  254    HG1  THR  38           1HG      THR  38  -2.536  14.585  -1.296
  255   1HG2  THR  38          1HG2      THR  38  -3.200  11.722   0.519
  256   2HG2  THR  38          2HG2      THR  38  -3.145  10.637  -0.871
  257   3HG2  THR  38          3HG2      THR  38  -4.409  11.862  -0.756
  258    HA   PRO  39           HA       PRO  39   0.723  10.031   1.844
  259   1HB   PRO  39          2HB       PRO  39  -0.679  10.846   4.082
  260   2HB   PRO  39          1HB       PRO  39   0.852  11.545   3.545
  261   1HG   PRO  39          2HG       PRO  39  -1.937  12.536   3.124
  262   2HG   PRO  39          1HG       PRO  39  -0.464  13.452   3.495
  263   1HD   PRO  39          2HD       PRO  39  -1.477  13.363   1.012
  264   2HD   PRO  39          1HD       PRO  39   0.276  13.391   1.299
  265    H    ILE  40           H        ILE  40  -0.398   8.297   0.759
  266    HA   ILE  40           HA       ILE  40  -3.111   7.683   1.183
  267    HB   ILE  40           HB       ILE  40  -2.490   5.408   0.409
  268   1HG1  ILE  40          2HG1      ILE  40   0.213   6.497   0.937
  269   2HG1  ILE  40          1HG1      ILE  40  -0.380   4.847   1.074
  270   1HG2  ILE  40          1HG2      ILE  40  -1.761   6.116  -1.845
  271   2HG2  ILE  40          2HG2      ILE  40  -1.431   7.723  -1.200
  272   3HG2  ILE  40          3HG2      ILE  40  -3.080   7.096  -1.205
  273   1HD1  ILE  40          1HD1      ILE  40   0.529   6.284  -1.399
  274   2HD1  ILE  40          2HD1      ILE  40  -0.333   4.745  -1.438
  275   3HD1  ILE  40          3HD1      ILE  40   1.235   4.860  -0.638
  276    H    GLU  41           H        GLU  41  -4.113   6.233   2.570
  277    HA   GLU  41           HA       GLU  41  -2.521   5.498   4.944
  278   1HB   GLU  41          2HB       GLU  41  -5.510   5.909   4.857
  279   2HB   GLU  41          1HB       GLU  41  -4.496   5.726   6.283
  280   1HG   GLU  41          2HG       GLU  41  -3.581   7.928   4.690
  281   2HG   GLU  41          1HG       GLU  41  -5.300   8.094   5.044
  282    H    LEU  42           H        LEU  42  -3.958   3.699   6.206
  283    HA   LEU  42           HA       LEU  42  -4.370   1.537   4.243
  284   1HB   LEU  42          2HB       LEU  42  -2.647   1.650   6.493
  285   2HB   LEU  42          1HB       LEU  42  -3.919   0.504   6.873
  286    HG   LEU  42           HG       LEU  42  -1.832  -0.462   5.819
  287   1HD1  LEU  42          1HD1      LEU  42  -4.488  -1.167   5.550
  288   2HD1  LEU  42          2HD1      LEU  42  -3.088  -2.181   5.195
  289   3HD1  LEU  42          3HD1      LEU  42  -3.853  -1.250   3.906
  290   1HD2  LEU  42          1HD2      LEU  42  -2.252   1.577   3.974
  291   2HD2  LEU  42          2HD2      LEU  42  -2.668   0.089   3.122
  292   3HD2  LEU  42          3HD2      LEU  42  -1.081   0.264   3.869
  293    H    VAL  43           H        VAL  43  -6.229   0.380   4.321
  294    HA   VAL  43           HA       VAL  43  -8.123   1.042   6.480
  295    HB   VAL  43           HB       VAL  43  -9.016   0.311   3.710
  296   1HG1  VAL  43          1HG1      VAL  43 -10.549   0.296   5.739
  297   2HG1  VAL  43          2HG1      VAL  43 -11.082   1.242   4.349
  298   3HG1  VAL  43          3HG1      VAL  43 -10.377   2.051   5.748
  299   1HG2  VAL  43          1HG2      VAL  43  -7.998   2.184   2.986
  300   2HG2  VAL  43          2HG2      VAL  43  -7.813   2.836   4.615
  301   3HG2  VAL  43          3HG2      VAL  43  -9.352   3.000   3.768
  302    H    HIS  44           H        HIS  44  -7.352  -1.368   3.992
  303    HA   HIS  44           HA       HIS  44  -8.130  -3.467   5.895
  304   1HB   HIS  44          2HB       HIS  44  -8.677  -4.181   3.117
  305   2HB   HIS  44          1HB       HIS  44  -9.689  -4.366   4.545
  306    HD1  HIS  44           1HD      HIS  44 -10.998  -2.091   5.274
  307    HD2  HIS  44           2HD      HIS  44  -9.514  -2.249   1.396
  308    HE1  HIS  44           1HE      HIS  44 -12.221  -0.292   4.011
  309    HE2  HIS  44           2HE      HIS  44 -11.300  -0.399   1.669
  310    H    LYS  45           H        LYS  45  -6.916  -5.335   5.828
  311    HA   LYS  45           HA       LYS  45  -4.402  -5.109   4.363
  312   1HB   LYS  45          2HB       LYS  45  -3.950  -7.249   5.853
  313   2HB   LYS  45          1HB       LYS  45  -3.830  -5.626   6.518
  314   1HG   LYS  45          2HG       LYS  45  -5.870  -5.809   7.640
  315   2HG   LYS  45          1HG       LYS  45  -6.375  -7.200   6.678
  316   1HD   LYS  45          2HD       LYS  45  -4.414  -8.440   7.708
  317   2HD   LYS  45          1HD       LYS  45  -4.279  -7.089   8.836
  318   1HE   LYS  45          2HE       LYS  45  -5.580  -8.794   9.886
  319   2HE   LYS  45          1HE       LYS  45  -6.665  -7.472   9.460
  320   1HZ   LYS  45          1HZ       LYS  45  -6.573  -9.256   7.309
  321   2HZ   LYS  45          2HZ       LYS  45  -7.885  -8.897   8.314
  322   3HZ   LYS  45          3HZ       LYS  45  -6.836 -10.164   8.713
  323    H    GLY  46           H        GLY  46  -6.125  -5.600   2.495
  324   1HA   GLY  46          2HA       GLY  46  -5.384  -8.136   1.464
  325   2HA   GLY  46          1HA       GLY  46  -7.052  -8.175   2.021
  326    H    ARG  47           H        ARG  47  -7.854  -8.474  -0.073
  327    HA   ARG  47           HA       ARG  47  -7.313  -6.425  -2.067
  328   1HB   ARG  47          2HB       ARG  47  -9.321  -8.614  -2.443
  329   2HB   ARG  47          1HB       ARG  47  -8.274  -7.849  -3.631
  330   1HG   ARG  47          2HG       ARG  47  -6.375  -9.046  -2.848
  331   2HG   ARG  47          1HG       ARG  47  -7.259  -9.643  -1.442
  332   1HD   ARG  47          2HD       ARG  47  -8.293 -10.251  -4.171
  333   2HD   ARG  47          1HD       ARG  47  -6.906 -11.155  -3.562
  334    HE   ARG  47           HE       ARG  47  -8.957 -11.134  -1.627
  335   1HH1  ARG  47          1HH1      ARG  47  -8.158 -12.521  -4.722
  336   2HH1  ARG  47          2HH1      ARG  47  -9.110 -13.947  -4.474
  337   1HH2  ARG  47          1HH2      ARG  47 -10.213 -13.006  -1.291
  338   2HH2  ARG  47          2HH2      ARG  47 -10.281 -14.220  -2.524
  339    H    CYS  48           H        CYS  48  -8.390  -5.052  -0.164
  340    HA   CYS  48           HA       CYS  48 -10.172  -3.835   0.604
  341   1HB   CYS  48          2HB       CYS  48 -10.124  -3.776  -2.318
  342   2HB   CYS  48          1HB       CYS  48 -11.696  -3.366  -1.644
  Start of MODEL    8
    1   1H    LYS   1          1HT       LYS   1   8.490   4.586   9.741
    2   2H    LYS   1          2HT       LYS   1   9.924   4.366   8.825
    3   3H    LYS   1          3HT       LYS   1   8.459   4.797   8.042
    4    HA   LYS   1           HA       LYS   1   8.627   6.769   9.737
    5   1HB   LYS   1          2HB       LYS   1  10.744   5.875  10.643
    6   2HB   LYS   1          1HB       LYS   1  11.475   6.018   9.050
    7   1HG   LYS   1          2HG       LYS   1  12.152   8.037   9.667
    8   2HG   LYS   1          1HG       LYS   1  10.465   8.545   9.552
    9   1HD   LYS   1          2HD       LYS   1  11.134   7.191  12.059
   10   2HD   LYS   1          1HD       LYS   1  12.012   8.700  11.803
   11   1HE   LYS   1          2HE       LYS   1   9.151   8.823  11.165
   12   2HE   LYS   1          1HE       LYS   1   9.511   8.512  12.863
   13   1HZ   LYS   1          1HZ       LYS   1  11.075  10.620  11.638
   14   2HZ   LYS   1          2HZ       LYS   1  10.322  10.571  13.151
   15   3HZ   LYS   1          3HZ       LYS   1   9.419  10.950  11.772
   16    HA   PRO   2           HA       PRO   2  10.226   8.141   5.431
   17   1HB   PRO   2          2HB       PRO   2  10.895   6.279   3.612
   18   2HB   PRO   2          1HB       PRO   2  12.035   6.839   4.842
   19   1HG   PRO   2          2HG       PRO   2  10.420   4.330   4.753
   20   2HG   PRO   2          1HG       PRO   2  12.088   4.572   5.299
   21   1HD   PRO   2          2HD       PRO   2   9.902   4.376   6.967
   22   2HD   PRO   2          1HD       PRO   2  11.430   5.162   7.401
   23    H    ASP   3           H        ASP   3   9.512   7.677   2.957
   24    HA   ASP   3           HA       ASP   3   6.962   6.332   2.740
   25   1HB   ASP   3          2HB       ASP   3   7.204   9.327   2.795
   26   2HB   ASP   3          1HB       ASP   3   5.930   8.548   1.861
   27    H    CYS   4           H        CYS   4   9.037   5.546   1.385
   28    HA   CYS   4           HA       CYS   4   8.371   6.087  -1.342
   29   1HB   CYS   4          2HB       CYS   4  11.006   7.024  -0.227
   30   2HB   CYS   4          1HB       CYS   4  10.771   6.701  -1.940
   31    HA   PRO   5           HA       PRO   5   9.606   1.988  -2.183
   32   1HB   PRO   5          2HB       PRO   5  11.544   2.423  -4.189
   33   2HB   PRO   5          1HB       PRO   5   9.822   2.116  -4.427
   34   1HG   PRO   5          2HG       PRO   5  11.304   4.691  -4.416
   35   2HG   PRO   5          1HG       PRO   5   9.864   4.222  -5.339
   36   1HD   PRO   5          2HD       PRO   5   9.704   5.870  -3.230
   37   2HD   PRO   5          1HD       PRO   5   8.434   4.676  -3.569
   38    H    LEU   6           H        LEU   6  10.987   0.580  -1.300
   39    HA   LEU   6           HA       LEU   6  13.794   1.110  -1.052
   40   1HB   LEU   6          2HB       LEU   6  12.542   2.345   0.868
   41   2HB   LEU   6          1HB       LEU   6  12.356   0.742   1.553
   42    HG   LEU   6           HG       LEU   6  15.095   1.086   0.838
   43   1HD1  LEU   6          1HD1      LEU   6  15.159   2.972   2.822
   44   2HD1  LEU   6          2HD1      LEU   6  13.798   3.502   1.833
   45   3HD1  LEU   6          3HD1      LEU   6  15.389   3.284   1.102
   46   1HD2  LEU   6          1HD2      LEU   6  13.521   0.723   3.361
   47   2HD2  LEU   6          2HD2      LEU   6  15.272   0.940   3.402
   48   3HD2  LEU   6          3HD2      LEU   6  14.571  -0.423   2.529
   49    H    ILE   7           H        ILE   7  12.461  -0.881  -2.348
   50    HA   ILE   7           HA       ILE   7  11.935  -3.150  -2.372
   51    HB   ILE   7           HB       ILE   7  14.818  -3.080  -1.491
   52   1HG1  ILE   7          2HG1      ILE   7  14.548  -3.646  -4.242
   53   2HG1  ILE   7          1HG1      ILE   7  13.485  -2.280  -3.916
   54   1HG2  ILE   7          1HG2      ILE   7  14.705  -5.298  -1.452
   55   2HG2  ILE   7          2HG2      ILE   7  14.356  -5.259  -3.181
   56   3HG2  ILE   7          3HG2      ILE   7  13.033  -5.272  -2.014
   57   1HD1  ILE   7          1HD1      ILE   7  15.866  -1.765  -4.610
   58   2HD1  ILE   7          2HD1      ILE   7  16.340  -2.326  -3.007
   59   3HD1  ILE   7          3HD1      ILE   7  15.258  -0.944  -3.174
   60    H    CYS   8           H        CYS   8  10.552  -4.025  -0.946
   61    HA   CYS   8           HA       CYS   8  11.515  -4.545   1.766
   62   1HB   CYS   8          2HB       CYS   8   9.099  -3.509   0.860
   63   2HB   CYS   8          1HB       CYS   8   8.739  -5.114   1.479
   64    H    THR   9           H        THR   9   9.023  -6.248  -0.078
   65    HA   THR   9           HA       THR   9  10.613  -8.614  -0.330
   66    HB   THR   9           HB       THR   9  10.187  -8.923   1.967
   67    HG1  THR   9           1HG      THR   9   8.617 -10.683   1.931
   68   1HG2  THR   9          1HG2      THR   9   8.190  -7.233   1.879
   69   2HG2  THR   9          2HG2      THR   9   8.290  -8.470   3.134
   70   3HG2  THR   9          3HG2      THR   9   7.240  -8.712   1.736
   71    H    MET  10           H        MET  10   8.964 -10.565  -0.773
   72    HA   MET  10           HA       MET  10   7.037  -9.535  -2.746
   73   1HB   MET  10          2HB       MET  10   8.144 -12.297  -2.957
   74   2HB   MET  10          1HB       MET  10   7.612 -11.205  -4.227
   75   1HG   MET  10          2HG       MET  10   9.662  -9.802  -3.617
   76   2HG   MET  10          1HG       MET  10  10.215 -11.232  -2.747
   77   1HE   MET  10          1HE       MET  10  12.425 -12.133  -4.355
   78   2HE   MET  10          2HE       MET  10  11.654 -13.480  -5.192
   79   3HE   MET  10          3HE       MET  10  11.188 -13.089  -3.537
   80    H    GLN  11           H        GLN  11   6.965 -10.600   0.224
   81    HA   GLN  11           HA       GLN  11   5.256 -12.858   0.185
   82   1HB   GLN  11          2HB       GLN  11   4.760 -12.221   2.548
   83   2HB   GLN  11          1HB       GLN  11   6.477 -12.347   2.195
   84   1HG   GLN  11          2HG       GLN  11   6.806 -10.279   2.889
   85   2HG   GLN  11          1HG       GLN  11   5.634  -9.670   1.722
   86   1HE2  GLN  11          1HE2      GLN  11   6.377  -9.840   4.917
   87   2HE2  GLN  11          2HE2      GLN  11   4.814  -9.556   5.594
   88    H    TYR  12           H        TYR  12   4.088 -11.711  -1.676
   89    HA   TYR  12           HA       TYR  12   2.440  -9.770  -1.947
   90   1HB   TYR  12          2HB       TYR  12   2.221 -12.508  -2.654
   91   2HB   TYR  12          1HB       TYR  12   0.629 -11.952  -2.153
   92    HD1  TYR  12           1HD      TYR  12  -0.736 -11.069  -3.781
   93    HD2  TYR  12           2HD      TYR  12   3.481 -10.766  -4.271
   94    HE1  TYR  12           1HE      TYR  12  -1.073 -10.020  -5.979
   95    HE2  TYR  12           2HE      TYR  12   3.154  -9.716  -6.471
   96    HH   TYR  12           HH       TYR  12   0.431  -8.357  -7.477
   97    H    ASP  13           H        ASP  13   1.870  -8.605  -0.168
   98    HA   ASP  13           HA       ASP  13  -0.276  -9.745   1.498
   99   1HB   ASP  13          2HB       ASP  13   2.197  -8.593   2.322
  100   2HB   ASP  13          1HB       ASP  13   0.917  -7.467   2.762
  101    HA   PRO  14           HA       PRO  14  -1.671  -6.294  -1.369
  102   1HB   PRO  14          2HB       PRO  14  -4.196  -7.513  -1.525
  103   2HB   PRO  14          1HB       PRO  14  -2.917  -7.604  -2.738
  104   1HG   PRO  14          2HG       PRO  14  -3.629  -9.536  -0.581
  105   2HG   PRO  14          1HG       PRO  14  -3.063  -9.852  -2.232
  106   1HD   PRO  14          2HD       PRO  14  -1.414 -10.120  -0.151
  107   2HD   PRO  14          1HD       PRO  14  -0.836  -9.419  -1.680
  108    H    VAL  15           H        VAL  15  -1.935  -4.613  -0.062
  109    HA   VAL  15           HA       VAL  15  -4.129  -4.696   1.887
  110    HB   VAL  15           HB       VAL  15  -2.840  -2.962   3.121
  111   1HG1  VAL  15          1HG1      VAL  15  -0.980  -4.614   3.840
  112   2HG1  VAL  15          2HG1      VAL  15  -1.767  -5.720   2.715
  113   3HG1  VAL  15          3HG1      VAL  15  -2.668  -5.064   4.082
  114   1HG2  VAL  15          1HG2      VAL  15  -0.988  -2.031   2.313
  115   2HG2  VAL  15          2HG2      VAL  15  -1.317  -2.871   0.797
  116   3HG2  VAL  15          3HG2      VAL  15  -0.264  -3.610   2.002
  117    H    CYS  16           H        CYS  16  -5.702  -3.365   1.568
  118    HA   CYS  16           HA       CYS  16  -5.621  -1.469  -0.583
  119   1HB   CYS  16          2HB       CYS  16  -7.602  -2.888   0.847
  120   2HB   CYS  16          1HB       CYS  16  -7.916  -1.182   1.065
  121    H    GLY  17           H        GLY  17  -4.826   0.517  -0.367
  122   1HA   GLY  17          2HA       GLY  17  -4.660   1.638   2.329
  123   2HA   GLY  17          1HA       GLY  17  -3.690   2.136   0.956
  124    H    SER  18           H        SER  18  -5.497   3.484   2.934
  125    HA   SER  18           HA       SER  18  -7.799   4.489   1.843
  126   1HB   SER  18          2HB       SER  18  -7.068   4.955   4.152
  127   2HB   SER  18          1HB       SER  18  -5.779   5.988   3.532
  128    HG   SER  18           HG       SER  18  -8.330   6.611   4.015
  129    H    ASP  19           H        ASP  19  -7.699   4.801  -0.249
  130    HA   ASP  19           HA       ASP  19  -7.172   7.274  -1.327
  131   1HB   ASP  19          2HB       ASP  19  -4.742   6.149  -0.862
  132   2HB   ASP  19          1HB       ASP  19  -5.061   5.548  -2.487
  133    H    GLY  20           H        GLY  20  -7.357   3.834  -1.679
  134   1HA   GLY  20          2HA       GLY  20  -9.155   2.903  -2.984
  135   2HA   GLY  20          1HA       GLY  20  -8.895   4.187  -4.158
  136    H    ILE  21           H        ILE  21  -6.277   2.402  -2.608
  137    HA   ILE  21           HA       ILE  21  -5.880   0.967  -5.154
  138    HB   ILE  21           HB       ILE  21  -3.780   2.562  -3.703
  139   1HG1  ILE  21          2HG1      ILE  21  -5.315   3.815  -5.211
  140   2HG1  ILE  21          1HG1      ILE  21  -3.641   3.838  -5.756
  141   1HG2  ILE  21          1HG2      ILE  21  -2.433   1.751  -5.804
  142   2HG2  ILE  21          2HG2      ILE  21  -3.575   0.407  -5.754
  143   3HG2  ILE  21          3HG2      ILE  21  -2.544   0.740  -4.363
  144   1HD1  ILE  21          1HD1      ILE  21  -5.967   2.345  -6.898
  145   2HD1  ILE  21          2HD1      ILE  21  -4.306   1.864  -7.244
  146   3HD1  ILE  21          3HD1      ILE  21  -4.870   3.474  -7.692
  147    H    THR  22           H        THR  22  -5.249  -1.075  -5.010
  148    HA   THR  22           HA       THR  22  -4.743  -2.189  -2.352
  149    HB   THR  22           HB       THR  22  -5.267  -3.592  -4.985
  150    HG1  THR  22           1HG      THR  22  -7.275  -4.083  -3.662
  151   1HG2  THR  22          1HG2      THR  22  -4.010  -4.831  -3.092
  152   2HG2  THR  22          2HG2      THR  22  -5.382  -5.607  -3.886
  153   3HG2  THR  22          3HG2      THR  22  -5.589  -4.854  -2.305
  154    H    TYR  23           H        TYR  23  -2.650  -1.787  -1.911
  155    HA   TYR  23           HA       TYR  23  -0.581  -2.035  -3.870
  156   1HB   TYR  23          2HB       TYR  23  -0.313  -1.688  -0.881
  157   2HB   TYR  23          1HB       TYR  23   0.873  -1.280  -2.114
  158    HD1  TYR  23           1HD      TYR  23   0.632   0.737  -3.460
  159    HD2  TYR  23           2HD      TYR  23  -2.337  -0.332  -0.605
  160    HE1  TYR  23           1HE      TYR  23  -0.392   2.963  -3.695
  161    HE2  TYR  23           2HE      TYR  23  -3.363   1.893  -0.830
  162    HH   TYR  23           HH       TYR  23  -1.936   4.366  -2.936
  163    H    GLY  24           H        GLY  24   1.218  -3.425  -3.770
  164   1HA   GLY  24          2HA       GLY  24   0.552  -6.144  -3.387
  165   2HA   GLY  24          1HA       GLY  24   2.165  -5.525  -3.710
  166    H    ASN  25           H        ASN  25   1.438  -3.829  -1.155
  167    HA   ASN  25           HA       ASN  25   1.216  -5.302   1.081
  168   1HB   ASN  25          2HB       ASN  25   3.639  -5.634   1.781
  169   2HB   ASN  25          1HB       ASN  25   3.012  -6.757   0.579
  170   1HD2  ASN  25          1HD2      ASN  25   4.400  -7.181  -0.962
  171   2HD2  ASN  25          2HD2      ASN  25   5.575  -6.093  -1.610
  172    H    ALA  26           H        ALA  26   1.774  -4.173   2.993
  173    HA   ALA  26           HA       ALA  26   1.415  -1.462   2.923
  174   1HB   ALA  26          1HB       ALA  26   2.211  -1.406   5.234
  175   2HB   ALA  26          2HB       ALA  26   2.910  -3.012   5.036
  176   3HB   ALA  26          3HB       ALA  26   1.162  -2.795   4.952
  177    H    CYS  27           H        CYS  27   4.311  -3.271   2.428
  178    HA   CYS  27           HA       CYS  27   6.118  -1.082   2.819
  179   1HB   CYS  27          2HB       CYS  27   6.386  -3.849   1.699
  180   2HB   CYS  27          1HB       CYS  27   7.641  -2.661   1.416
  181    H    MET  28           H        MET  28   4.629  -2.681   0.063
  182    HA   MET  28           HA       MET  28   5.903  -1.141  -1.923
  183   1HB   MET  28          2HB       MET  28   3.400  -2.812  -1.826
  184   2HB   MET  28          1HB       MET  28   3.862  -1.941  -3.284
  185   1HG   MET  28          2HG       MET  28   6.172  -3.283  -2.464
  186   2HG   MET  28          1HG       MET  28   4.858  -4.434  -2.240
  187   1HE   MET  28          1HE       MET  28   7.540  -3.830  -4.582
  188   2HE   MET  28          2HE       MET  28   6.849  -2.209  -4.652
  189   3HE   MET  28          3HE       MET  28   6.843  -3.231  -6.089
  190    H    LEU  29           H        LEU  29   3.450  -0.516   0.341
  191    HA   LEU  29           HA       LEU  29   2.040   1.493  -1.036
  192   1HB   LEU  29          2HB       LEU  29   1.874   0.174   1.431
  193   2HB   LEU  29          1HB       LEU  29   2.042   1.884   1.800
  194    HG   LEU  29           HG       LEU  29  -0.091   0.526   0.208
  195   1HD1  LEU  29          1HD1      LEU  29  -0.095   0.905   2.775
  196   2HD1  LEU  29          2HD1      LEU  29  -1.540   1.287   1.837
  197   3HD1  LEU  29          3HD1      LEU  29  -0.450   2.577   2.344
  198   1HD2  LEU  29          1HD2      LEU  29   0.676   3.431   0.256
  199   2HD2  LEU  29          2HD2      LEU  29  -0.933   2.879  -0.198
  200   3HD2  LEU  29          3HD2      LEU  29   0.468   2.384  -1.142
  201    H    LEU  30           H        LEU  30   4.452   1.710   1.594
  202    HA   LEU  30           HA       LEU  30   4.682   4.466   1.604
  203   1HB   LEU  30          2HB       LEU  30   6.924   4.203   2.505
  204   2HB   LEU  30          1HB       LEU  30   5.834   3.038   3.232
  205    HG   LEU  30           HG       LEU  30   7.082   1.834   0.955
  206   1HD1  LEU  30          1HD1      LEU  30   9.212   2.356   2.902
  207   2HD1  LEU  30          2HD1      LEU  30   8.761   3.744   1.912
  208   3HD1  LEU  30          3HD1      LEU  30   9.281   2.242   1.144
  209   1HD2  LEU  30          1HD2      LEU  30   6.075   0.765   2.980
  210   2HD2  LEU  30          2HD2      LEU  30   7.497   1.284   3.885
  211   3HD2  LEU  30          3HD2      LEU  30   7.671   0.156   2.540
  212    H    GLY  31           H        GLY  31   6.015   2.098  -0.603
  213   1HA   GLY  31          2HA       GLY  31   7.650   3.955  -2.057
  214   2HA   GLY  31          1HA       GLY  31   7.165   2.350  -2.598
  215    H    ALA  32           H        ALA  32   4.339   2.978  -2.101
  216    HA   ALA  32           HA       ALA  32   3.699   4.056  -4.676
  217   1HB   ALA  32          1HB       ALA  32   2.504   2.196  -3.278
  218   2HB   ALA  32          2HB       ALA  32   1.568   3.273  -4.312
  219   3HB   ALA  32          3HB       ALA  32   1.642   3.565  -2.575
  220    H    SER  33           H        SER  33   2.789   4.996  -1.350
  221    HA   SER  33           HA       SER  33   1.522   7.361  -1.797
  222   1HB   SER  33          2HB       SER  33   2.197   6.205   0.441
  223   2HB   SER  33          1HB       SER  33   3.637   7.217   0.343
  224    HG   SER  33           HG       SER  33   1.951   8.204   1.535
  225    H    CYS  34           H        CYS  34   4.941   6.683  -1.917
  226    HA   CYS  34           HA       CYS  34   5.896   9.326  -2.215
  227   1HB   CYS  34          2HB       CYS  34   7.233   7.282  -1.656
  228   2HB   CYS  34          1HB       CYS  34   7.133   6.815  -3.341
  229    H    ARG  35           H        ARG  35   5.206   6.822  -4.631
  230    HA   ARG  35           HA       ARG  35   5.737   8.574  -6.838
  231   1HB   ARG  35          2HB       ARG  35   4.386   5.871  -6.805
  232   2HB   ARG  35          1HB       ARG  35   4.994   6.703  -8.230
  233   1HG   ARG  35          2HG       ARG  35   6.555   5.493  -5.971
  234   2HG   ARG  35          1HG       ARG  35   6.618   5.101  -7.690
  235   1HD   ARG  35          2HD       ARG  35   7.702   7.511  -6.269
  236   2HD   ARG  35          1HD       ARG  35   8.556   6.360  -7.296
  237    HE   ARG  35           HE       ARG  35   6.496   7.810  -8.673
  238   1HH1  ARG  35          1HH1      ARG  35   9.820   7.880  -7.632
  239   2HH1  ARG  35          2HH1      ARG  35  10.314   8.995  -8.862
  240   1HH2  ARG  35          1HH2      ARG  35   7.140   9.279 -10.294
  241   2HH2  ARG  35          2HH2      ARG  35   8.792   9.790 -10.371
  242    H    SER  36           H        SER  36   3.066   8.215  -4.810
  243    HA   SER  36           HA       SER  36   1.057   8.764  -6.803
  244   1HB   SER  36          2HB       SER  36   0.442   7.410  -4.895
  245   2HB   SER  36          1HB       SER  36   0.929   8.685  -3.782
  246    HG   SER  36           HG       SER  36  -1.436   8.371  -4.578
  247    H    ASP  37           H        ASP  37   0.944  10.539  -3.821
  248    HA   ASP  37           HA       ASP  37   2.068  12.968  -4.593
  249   1HB   ASP  37          2HB       ASP  37  -0.583  12.436  -5.717
  250   2HB   ASP  37          1HB       ASP  37  -0.510  13.936  -4.799
  251    H    THR  38           H        THR  38  -0.442  11.275  -2.850
  252    HA   THR  38           HA       THR  38  -0.123  13.164  -0.611
  253    HB   THR  38           HB       THR  38  -2.468  11.656  -0.213
  254    HG1  THR  38           1HG      THR  38  -2.378  12.749  -2.825
  255   1HG2  THR  38          1HG2      THR  38  -3.178  13.658   0.371
  256   2HG2  THR  38          2HG2      THR  38  -3.137  14.180  -1.313
  257   3HG2  THR  38          3HG2      THR  38  -1.709  14.370  -0.296
  258    HA   PRO  39           HA       PRO  39   1.178   9.823   1.943
  259   1HB   PRO  39          2HB       PRO  39   0.185  10.483   4.351
  260   2HB   PRO  39          1HB       PRO  39   1.442  11.449   3.567
  261   1HG   PRO  39          2HG       PRO  39  -1.505  11.943   3.724
  262   2HG   PRO  39          1HG       PRO  39  -0.166  13.091   3.905
  263   1HD   PRO  39          2HD       PRO  39  -1.619  12.785   1.599
  264   2HD   PRO  39          1HD       PRO  39   0.056  13.368   1.642
  265    H    ILE  40           H        ILE  40  -0.347   8.371   0.653
  266    HA   ILE  40           HA       ILE  40  -2.909   7.711   1.418
  267    HB   ILE  40           HB       ILE  40  -2.406   5.431   0.496
  268   1HG1  ILE  40          2HG1      ILE  40   0.340   6.637   0.394
  269   2HG1  ILE  40          1HG1      ILE  40  -0.145   5.036   0.947
  270   1HG2  ILE  40          1HG2      ILE  40  -1.350   7.352  -1.485
  271   2HG2  ILE  40          2HG2      ILE  40  -2.917   7.724  -0.765
  272   3HG2  ILE  40          3HG2      ILE  40  -2.677   6.199  -1.619
  273   1HD1  ILE  40          1HD1      ILE  40  -0.760   4.555  -1.463
  274   2HD1  ILE  40          2HD1      ILE  40   0.958   4.695  -1.090
  275   3HD1  ILE  40          3HD1      ILE  40   0.112   6.034  -1.867
  276    H    GLU  41           H        GLU  41  -3.769   5.980   2.668
  277    HA   GLU  41           HA       GLU  41  -2.021   5.146   4.898
  278   1HB   GLU  41          2HB       GLU  41  -4.942   5.375   5.364
  279   2HB   GLU  41          1HB       GLU  41  -3.600   5.681   6.459
  280   1HG   GLU  41          2HG       GLU  41  -3.209   7.694   4.768
  281   2HG   GLU  41          1HG       GLU  41  -4.945   7.486   4.547
  282    H    LEU  42           H        LEU  42  -3.452   3.375   6.212
  283    HA   LEU  42           HA       LEU  42  -4.090   1.302   4.220
  284   1HB   LEU  42          2HB       LEU  42  -2.293   1.253   6.410
  285   2HB   LEU  42          1HB       LEU  42  -3.626   0.188   6.812
  286    HG   LEU  42           HG       LEU  42  -1.560  -0.791   5.596
  287   1HD1  LEU  42          1HD1      LEU  42  -3.900  -1.635   4.067
  288   2HD1  LEU  42          2HD1      LEU  42  -4.172  -1.567   5.809
  289   3HD1  LEU  42          3HD1      LEU  42  -2.864  -2.554   5.158
  290   1HD2  LEU  42          1HD2      LEU  42  -1.272  -0.429   3.371
  291   2HD2  LEU  42          2HD2      LEU  42  -1.941   1.141   3.815
  292   3HD2  LEU  42          3HD2      LEU  42  -2.979  -0.086   3.092
  293    H    VAL  43           H        VAL  43  -6.047   0.365   4.270
  294    HA   VAL  43           HA       VAL  43  -7.822   1.069   6.510
  295    HB   VAL  43           HB       VAL  43  -9.549   0.387   4.517
  296   1HG1  VAL  43          1HG1      VAL  43  -8.611   3.213   4.683
  297   2HG1  VAL  43          2HG1      VAL  43  -9.312   2.445   6.108
  298   3HG1  VAL  43          3HG1      VAL  43 -10.254   2.573   4.623
  299   1HG2  VAL  43          1HG2      VAL  43  -8.750   1.787   2.552
  300   2HG2  VAL  43          2HG2      VAL  43  -7.994   0.207   2.759
  301   3HG2  VAL  43          3HG2      VAL  43  -7.139   1.666   3.258
  302    H    HIS  44           H        HIS  44  -7.346  -1.389   3.986
  303    HA   HIS  44           HA       HIS  44  -8.087  -3.435   5.959
  304   1HB   HIS  44          2HB       HIS  44  -8.874  -4.157   3.249
  305   2HB   HIS  44          1HB       HIS  44  -9.800  -4.232   4.744
  306    HD1  HIS  44           1HD      HIS  44 -11.003  -1.929   5.452
  307    HD2  HIS  44           2HD      HIS  44  -9.581  -2.146   1.554
  308    HE1  HIS  44           1HE      HIS  44 -12.166  -0.078   4.210
  309    HE2  HIS  44           2HE      HIS  44 -11.215  -0.167   1.877
  310    H    LYS  45           H        LYS  45  -7.020  -5.388   5.795
  311    HA   LYS  45           HA       LYS  45  -4.564  -5.308   4.233
  312   1HB   LYS  45          2HB       LYS  45  -5.543  -6.974   6.529
  313   2HB   LYS  45          1HB       LYS  45  -4.151  -7.486   5.585
  314   1HG   LYS  45          2HG       LYS  45  -2.922  -6.259   6.965
  315   2HG   LYS  45          1HG       LYS  45  -3.608  -4.842   6.168
  316   1HD   LYS  45          2HD       LYS  45  -4.233  -4.308   8.272
  317   2HD   LYS  45          1HD       LYS  45  -5.577  -5.394   7.917
  318   1HE   LYS  45          2HE       LYS  45  -4.867  -6.941   9.379
  319   2HE   LYS  45          1HE       LYS  45  -3.180  -6.748   8.904
  320   1HZ   LYS  45          1HZ       LYS  45  -3.739  -4.436  10.210
  321   2HZ   LYS  45          2HZ       LYS  45  -2.933  -5.767  10.872
  322   3HZ   LYS  45          3HZ       LYS  45  -4.598  -5.586  11.109
  323    H    GLY  46           H        GLY  46  -6.124  -5.569   2.288
  324   1HA   GLY  46          2HA       GLY  46  -5.685  -8.027   1.093
  325   2HA   GLY  46          1HA       GLY  46  -7.293  -8.106   1.799
  326    H    ARG  47           H        ARG  47  -8.042  -8.359  -0.403
  327    HA   ARG  47           HA       ARG  47  -7.747  -6.162  -2.237
  328   1HB   ARG  47          2HB       ARG  47  -9.776  -8.365  -2.492
  329   2HB   ARG  47          1HB       ARG  47  -8.958  -7.469  -3.767
  330   1HG   ARG  47          2HG       ARG  47  -6.812  -8.562  -2.805
  331   2HG   ARG  47          1HG       ARG  47  -7.940  -9.707  -2.078
  332   1HD   ARG  47          2HD       ARG  47  -8.800  -9.453  -4.709
  333   2HD   ARG  47          1HD       ARG  47  -7.040  -9.483  -4.820
  334    HE   ARG  47           HE       ARG  47  -8.769 -11.655  -4.065
  335   1HH1  ARG  47          1HH1      ARG  47  -5.556 -10.337  -3.848
  336   2HH1  ARG  47          2HH1      ARG  47  -4.804 -11.871  -3.562
  337   1HH2  ARG  47          1HH2      ARG  47  -7.794 -13.681  -3.689
  338   2HH2  ARG  47          2HH2      ARG  47  -6.077 -13.775  -3.475
  339    H    CYS  48           H        CYS  48  -8.644  -4.936  -0.114
  340    HA   CYS  48           HA       CYS  48 -10.321  -3.723   0.853
  341   1HB   CYS  48          2HB       CYS  48 -10.556  -3.525  -2.068
  342   2HB   CYS  48          1HB       CYS  48 -12.002  -3.036  -1.190
  Start of MODEL    9
    1   1H    LYS   1          1HT       LYS   1  11.480  12.925   4.694
    2   2H    LYS   1          2HT       LYS   1  10.822  11.690   5.685
    3   3H    LYS   1          3HT       LYS   1   9.928  13.125   5.393
    4    HA   LYS   1           HA       LYS   1   8.987  12.201   3.698
    5   1HB   LYS   1          2HB       LYS   1  11.656  12.777   2.872
    6   2HB   LYS   1          1HB       LYS   1  11.167  11.273   2.107
    7   1HG   LYS   1          2HG       LYS   1   9.193  12.364   1.193
    8   2HG   LYS   1          1HG       LYS   1   9.658  13.874   1.980
    9   1HD   LYS   1          2HD       LYS   1  11.758  12.671   0.325
   10   2HD   LYS   1          1HD       LYS   1  10.321  13.170  -0.570
   11   1HE   LYS   1          2HE       LYS   1  10.705  15.311   1.057
   12   2HE   LYS   1          1HE       LYS   1  12.366  14.787   0.784
   13   1HZ   LYS   1          1HZ       LYS   1  11.201  16.433  -0.847
   14   2HZ   LYS   1          2HZ       LYS   1  10.570  15.015  -1.522
   15   3HZ   LYS   1          3HZ       LYS   1  12.244  15.238  -1.435
   16    HA   PRO   2           HA       PRO   2   9.968   7.845   5.052
   17   1HB   PRO   2          2HB       PRO   2   8.192   7.479   6.993
   18   2HB   PRO   2          1HB       PRO   2   9.679   8.386   7.309
   19   1HG   PRO   2          2HG       PRO   2   6.920   9.412   6.749
   20   2HG   PRO   2          1HG       PRO   2   8.082   9.952   7.973
   21   1HD   PRO   2          2HD       PRO   2   7.693  11.182   5.533
   22   2HD   PRO   2          1HD       PRO   2   9.181  11.304   6.492
   23    H    ASP   3           H        ASP   3   8.386   8.908   2.922
   24    HA   ASP   3           HA       ASP   3   6.086   7.071   2.919
   25   1HB   ASP   3          2HB       ASP   3   6.477   9.504   1.169
   26   2HB   ASP   3          1HB       ASP   3   5.026   8.513   1.293
   27    H    CYS   4           H        CYS   4   8.638   6.100   2.399
   28    HA   CYS   4           HA       CYS   4   8.233   5.095  -0.282
   29   1HB   CYS   4          2HB       CYS   4  10.932   6.225   0.422
   30   2HB   CYS   4          1HB       CYS   4  10.339   5.721  -1.157
   31    HA   PRO   5           HA       PRO   5  10.010   1.566   1.724
   32   1HB   PRO   5          2HB       PRO   5   9.756  -0.158  -0.306
   33   2HB   PRO   5          1HB       PRO   5   8.344   0.528   0.503
   34   1HG   PRO   5          2HG       PRO   5   9.450   1.114  -2.174
   35   2HG   PRO   5          1HG       PRO   5   7.795   1.299  -1.574
   36   1HD   PRO   5          2HD       PRO   5   9.825   3.316  -1.829
   37   2HD   PRO   5          1HD       PRO   5   8.167   3.504  -1.228
   38    H    LEU   6           H        LEU   6  11.412  -0.439   0.643
   39    HA   LEU   6           HA       LEU   6  13.631   0.380  -0.956
   40   1HB   LEU   6          2HB       LEU   6  14.265   1.448   1.161
   41   2HB   LEU   6          1HB       LEU   6  14.096  -0.086   1.993
   42    HG   LEU   6           HG       LEU   6  16.026  -0.980   0.999
   43   1HD1  LEU   6          1HD1      LEU   6  15.831  -0.541  -1.271
   44   2HD1  LEU   6          2HD1      LEU   6  17.239   0.412  -0.800
   45   3HD1  LEU   6          3HD1      LEU   6  15.677   1.198  -1.024
   46   1HD2  LEU   6          1HD2      LEU   6  16.527   0.679   2.710
   47   2HD2  LEU   6          2HD2      LEU   6  16.563   1.948   1.486
   48   3HD2  LEU   6          3HD2      LEU   6  17.776   0.668   1.465
   49    H    ILE   7           H        ILE   7  11.948  -1.603  -1.449
   50    HA   ILE   7           HA       ILE   7  11.823  -3.813  -1.969
   51    HB   ILE   7           HB       ILE   7  14.733  -3.708  -1.187
   52   1HG1  ILE   7          2HG1      ILE   7  14.360  -4.489  -3.864
   53   2HG1  ILE   7          1HG1      ILE   7  13.207  -3.188  -3.586
   54   1HG2  ILE   7          1HG2      ILE   7  13.007  -6.038  -1.777
   55   2HG2  ILE   7          2HG2      ILE   7  14.461  -5.925  -0.785
   56   3HG2  ILE   7          3HG2      ILE   7  14.596  -6.009  -2.542
   57   1HD1  ILE   7          1HD1      ILE   7  15.943  -2.980  -4.143
   58   2HD1  ILE   7          2HD1      ILE   7  15.740  -2.483  -2.463
   59   3HD1  ILE   7          3HD1      ILE   7  14.817  -1.684  -3.736
   60    H    CYS   8           H        CYS   8  10.311  -4.121  -0.292
   61    HA   CYS   8           HA       CYS   8  11.190  -4.883   2.327
   62   1HB   CYS   8          2HB       CYS   8   8.806  -3.935   1.219
   63   2HB   CYS   8          1HB       CYS   8   8.443  -5.535   1.846
   64    H    THR   9           H        THR   9   8.915  -6.686   0.292
   65    HA   THR   9           HA       THR   9  10.532  -9.024   0.200
   66    HB   THR   9           HB       THR   9  10.030  -9.203   2.533
   67    HG1  THR   9           1HG      THR   9   9.120 -11.188   2.527
   68   1HG2  THR   9          1HG2      THR   9   8.235  -7.965   3.140
   69   2HG2  THR   9          2HG2      THR   9   7.464  -9.549   3.056
   70   3HG2  THR   9          3HG2      THR   9   7.300  -8.416   1.714
   71    H    MET  10           H        MET  10   8.999 -11.014  -0.280
   72    HA   MET  10           HA       MET  10   7.121 -10.083  -2.338
   73   1HB   MET  10          2HB       MET  10   9.131 -12.175  -2.255
   74   2HB   MET  10          1HB       MET  10   7.562 -12.813  -2.728
   75   1HG   MET  10          2HG       MET  10   7.778 -10.515  -4.220
   76   2HG   MET  10          1HG       MET  10   9.425 -11.143  -4.202
   77   1HE   MET  10          1HE       MET  10   8.906 -12.084  -7.452
   78   2HE   MET  10          2HE       MET  10   9.806 -13.346  -6.611
   79   3HE   MET  10          3HE       MET  10   9.977 -11.662  -6.116
   80    H    GLN  11           H        GLN  11   6.714 -10.576   0.634
   81    HA   GLN  11           HA       GLN  11   4.960 -12.822   0.837
   82   1HB   GLN  11          2HB       GLN  11   6.209 -11.063   2.626
   83   2HB   GLN  11          1HB       GLN  11   4.486 -10.779   2.836
   84   1HG   GLN  11          2HG       GLN  11   4.382 -13.393   2.939
   85   2HG   GLN  11          1HG       GLN  11   6.086 -13.232   3.363
   86   1HE2  GLN  11          1HE2      GLN  11   6.241 -11.123   4.937
   87   2HE2  GLN  11          2HE2      GLN  11   5.262 -11.299   6.348
   88    H    TYR  12           H        TYR  12   3.999 -11.825  -1.291
   89    HA   TYR  12           HA       TYR  12   2.432  -9.812  -1.767
   90   1HB   TYR  12          2HB       TYR  12   2.314 -12.543  -2.516
   91   2HB   TYR  12          1HB       TYR  12   0.666 -12.007  -2.197
   92    HD1  TYR  12           1HD      TYR  12  -0.320 -11.757  -4.293
   93    HD2  TYR  12           2HD      TYR  12   3.546 -10.115  -3.612
   94    HE1  TYR  12           1HE      TYR  12  -0.402 -10.667  -6.495
   95    HE2  TYR  12           2HE      TYR  12   3.475  -9.021  -5.812
   96    HH   TYR  12           HH       TYR  12   0.779  -8.528  -7.536
   97    H    ASP  13           H        ASP  13   1.585  -8.621  -0.166
   98    HA   ASP  13           HA       ASP  13  -0.746  -9.750   1.231
   99   1HB   ASP  13          2HB       ASP  13   1.568  -8.975   2.507
  100   2HB   ASP  13          1HB       ASP  13   0.589  -7.515   2.598
  101    HA   PRO  14           HA       PRO  14  -1.593  -6.125  -1.709
  102   1HB   PRO  14          2HB       PRO  14  -4.111  -7.295  -2.208
  103   2HB   PRO  14          1HB       PRO  14  -2.705  -7.322  -3.277
  104   1HG   PRO  14          2HG       PRO  14  -3.657  -9.378  -1.339
  105   2HG   PRO  14          1HG       PRO  14  -2.892  -9.595  -2.925
  106   1HD   PRO  14          2HD       PRO  14  -1.505 -10.004  -0.691
  107   2HD   PRO  14          1HD       PRO  14  -0.750  -9.182  -2.077
  108    H    VAL  15           H        VAL  15  -1.765  -4.724   0.065
  109    HA   VAL  15           HA       VAL  15  -4.254  -4.812   1.605
  110    HB   VAL  15           HB       VAL  15  -3.165  -3.382   3.183
  111   1HG1  VAL  15          1HG1      VAL  15  -2.359  -5.933   2.694
  112   2HG1  VAL  15          2HG1      VAL  15  -1.897  -4.982   4.106
  113   3HG1  VAL  15          3HG1      VAL  15  -0.823  -5.063   2.709
  114   1HG2  VAL  15          1HG2      VAL  15  -1.126  -3.040   1.028
  115   2HG2  VAL  15          2HG2      VAL  15  -0.705  -2.757   2.717
  116   3HG2  VAL  15          3HG2      VAL  15  -1.981  -1.809   1.955
  117    H    CYS  16           H        CYS  16  -5.759  -3.358   1.363
  118    HA   CYS  16           HA       CYS  16  -5.540  -1.448  -0.764
  119   1HB   CYS  16          2HB       CYS  16  -7.617  -2.777   0.619
  120   2HB   CYS  16          1HB       CYS  16  -7.858  -1.058   0.809
  121    H    GLY  17           H        GLY  17  -4.777   0.547  -0.543
  122   1HA   GLY  17          2HA       GLY  17  -4.483   1.573   2.173
  123   2HA   GLY  17          1HA       GLY  17  -3.574   2.111   0.772
  124    H    SER  18           H        SER  18  -5.209   3.440   2.873
  125    HA   SER  18           HA       SER  18  -7.558   4.530   1.919
  126   1HB   SER  18          2HB       SER  18  -5.429   5.813   3.650
  127   2HB   SER  18          1HB       SER  18  -7.057   6.454   3.427
  128    HG   SER  18           HG       SER  18  -7.285   5.255   5.200
  129    H    ASP  19           H        ASP  19  -7.460   4.909  -0.176
  130    HA   ASP  19           HA       ASP  19  -6.842   7.433  -1.132
  131   1HB   ASP  19          2HB       ASP  19  -4.467   6.521  -0.865
  132   2HB   ASP  19          1HB       ASP  19  -4.858   5.394  -2.160
  133    H    GLY  20           H        GLY  20  -7.195   4.018  -1.704
  134   1HA   GLY  20          2HA       GLY  20  -9.253   3.380  -2.894
  135   2HA   GLY  20          1HA       GLY  20  -8.832   4.608  -4.081
  136    H    ILE  21           H        ILE  21  -6.468   2.432  -2.592
  137    HA   ILE  21           HA       ILE  21  -6.436   0.863  -5.074
  138    HB   ILE  21           HB       ILE  21  -4.122   2.472  -4.042
  139   1HG1  ILE  21          2HG1      ILE  21  -5.681   2.326  -6.611
  140   2HG1  ILE  21          1HG1      ILE  21  -5.397   3.724  -5.580
  141   1HG2  ILE  21          1HG2      ILE  21  -3.275   0.242  -4.444
  142   2HG2  ILE  21          2HG2      ILE  21  -2.729   1.323  -5.727
  143   3HG2  ILE  21          3HG2      ILE  21  -4.055   0.201  -6.026
  144   1HD1  ILE  21          1HD1      ILE  21  -3.976   4.169  -7.303
  145   2HD1  ILE  21          2HD1      ILE  21  -3.627   2.466  -7.603
  146   3HD1  ILE  21          3HD1      ILE  21  -2.896   3.286  -6.225
  147    H    THR  22           H        THR  22  -5.063  -1.013  -5.020
  148    HA   THR  22           HA       THR  22  -4.753  -2.119  -2.306
  149    HB   THR  22           HB       THR  22  -5.405  -3.498  -4.917
  150    HG1  THR  22           1HG      THR  22  -7.227  -4.180  -3.591
  151   1HG2  THR  22          1HG2      THR  22  -5.527  -5.584  -3.651
  152   2HG2  THR  22          2HG2      THR  22  -4.864  -4.761  -2.240
  153   3HG2  THR  22          3HG2      THR  22  -3.887  -4.937  -3.698
  154    H    TYR  23           H        TYR  23  -2.668  -1.975  -1.773
  155    HA   TYR  23           HA       TYR  23  -0.626  -2.226  -3.817
  156   1HB   TYR  23          2HB       TYR  23  -0.262  -1.605  -0.892
  157   2HB   TYR  23          1HB       TYR  23   0.842  -1.268  -2.219
  158    HD1  TYR  23           1HD      TYR  23  -2.340  -0.321  -0.659
  159    HD2  TYR  23           2HD      TYR  23   0.474   0.603  -3.712
  160    HE1  TYR  23           1HE      TYR  23  -3.487   1.813  -1.053
  161    HE2  TYR  23           2HE      TYR  23  -0.656   2.751  -4.105
  162    HH   TYR  23           HH       TYR  23  -2.734   3.831  -3.758
  163    H    GLY  24           H        GLY  24   0.789  -3.772  -3.997
  164   1HA   GLY  24          2HA       GLY  24   0.309  -6.368  -3.248
  165   2HA   GLY  24          1HA       GLY  24   1.905  -5.765  -3.665
  166    H    ASN  25           H        ASN  25   1.667  -3.856  -1.370
  167    HA   ASN  25           HA       ASN  25   1.477  -5.274   1.033
  168   1HB   ASN  25          2HB       ASN  25   4.188  -5.186  -0.237
  169   2HB   ASN  25          1HB       ASN  25   4.049  -5.110   1.513
  170   1HD2  ASN  25          1HD2      ASN  25   5.036  -7.158  -0.516
  171   2HD2  ASN  25          2HD2      ASN  25   4.288  -8.628  -0.003
  172    H    ALA  26           H        ALA  26   1.890  -3.991   2.863
  173    HA   ALA  26           HA       ALA  26   1.348  -1.293   2.633
  174   1HB   ALA  26          1HB       ALA  26   1.087  -2.472   4.736
  175   2HB   ALA  26          2HB       ALA  26   2.153  -1.086   4.963
  176   3HB   ALA  26          3HB       ALA  26   2.831  -2.710   4.851
  177    H    CYS  27           H        CYS  27   4.342  -3.015   2.390
  178    HA   CYS  27           HA       CYS  27   6.077  -0.753   2.630
  179   1HB   CYS  27          2HB       CYS  27   6.481  -3.499   1.431
  180   2HB   CYS  27          1HB       CYS  27   7.760  -2.311   1.634
  181    H    MET  28           H        MET  28   4.701  -2.628  -0.015
  182    HA   MET  28           HA       MET  28   5.901  -1.221  -2.126
  183   1HB   MET  28          2HB       MET  28   3.266  -2.707  -1.989
  184   2HB   MET  28          1HB       MET  28   4.058  -2.200  -3.477
  185   1HG   MET  28          2HG       MET  28   5.972  -3.632  -1.974
  186   2HG   MET  28          1HG       MET  28   4.476  -4.561  -1.930
  187   1HE   MET  28          1HE       MET  28   7.411  -4.806  -3.015
  188   2HE   MET  28          2HE       MET  28   7.575  -4.981  -4.761
  189   3HE   MET  28          3HE       MET  28   6.811  -6.257  -3.815
  190    H    LEU  29           H        LEU  29   3.370  -0.530   0.069
  191    HA   LEU  29           HA       LEU  29   1.969   1.425  -1.378
  192   1HB   LEU  29          2HB       LEU  29   1.884   0.269   1.194
  193   2HB   LEU  29          1HB       LEU  29   2.015   2.006   1.421
  194    HG   LEU  29           HG       LEU  29  -0.111   0.486  -0.030
  195   1HD1  LEU  29          1HD1      LEU  29  -1.186   0.741   1.881
  196   2HD1  LEU  29          2HD1      LEU  29  -1.112   2.489   1.656
  197   3HD1  LEU  29          3HD1      LEU  29   0.162   1.660   2.552
  198   1HD2  LEU  29          1HD2      LEU  29   0.576   3.406  -0.160
  199   2HD2  LEU  29          2HD2      LEU  29  -1.030   2.793  -0.537
  200   3HD2  LEU  29          3HD2      LEU  29   0.356   2.280  -1.492
  201    H    LEU  30           H        LEU  30   4.577   1.661   1.033
  202    HA   LEU  30           HA       LEU  30   4.865   4.407   1.066
  203   1HB   LEU  30          2HB       LEU  30   7.280   2.617   0.952
  204   2HB   LEU  30          1HB       LEU  30   7.072   4.112   1.845
  205    HG   LEU  30           HG       LEU  30   6.224   1.357   2.540
  206   1HD1  LEU  30          1HD1      LEU  30   8.214   2.294   3.546
  207   2HD1  LEU  30          2HD1      LEU  30   6.957   2.094   4.767
  208   3HD1  LEU  30          3HD1      LEU  30   7.298   3.693   4.107
  209   1HD2  LEU  30          1HD2      LEU  30   4.131   1.996   2.995
  210   2HD2  LEU  30          2HD2      LEU  30   4.523   3.707   2.813
  211   3HD2  LEU  30          3HD2      LEU  30   4.838   2.887   4.343
  212    H    GLY  31           H        GLY  31   5.882   2.039  -1.305
  213   1HA   GLY  31          2HA       GLY  31   7.442   3.780  -2.926
  214   2HA   GLY  31          1HA       GLY  31   6.694   2.273  -3.452
  215    H    ALA  32           H        ALA  32   4.062   3.135  -2.596
  216    HA   ALA  32           HA       ALA  32   3.236   4.445  -4.997
  217   1HB   ALA  32          1HB       ALA  32   1.274   3.511  -4.506
  218   2HB   ALA  32          2HB       ALA  32   1.215   4.316  -2.938
  219   3HB   ALA  32          3HB       ALA  32   2.060   2.777  -3.109
  220    H    SER  33           H        SER  33   2.676   5.267  -1.568
  221    HA   SER  33           HA       SER  33   1.843   7.875  -1.944
  222   1HB   SER  33          2HB       SER  33   3.365   7.953   0.409
  223   2HB   SER  33          1HB       SER  33   1.642   7.603   0.278
  224    HG   SER  33           HG       SER  33   2.053   5.611   0.772
  225    H    CYS  34           H        CYS  34   5.056   6.538  -2.059
  226    HA   CYS  34           HA       CYS  34   6.556   8.910  -1.824
  227   1HB   CYS  34          2HB       CYS  34   7.394   6.471  -1.796
  228   2HB   CYS  34          1HB       CYS  34   7.397   6.588  -3.546
  229    H    ARG  35           H        ARG  35   5.451   7.173  -4.722
  230    HA   ARG  35           HA       ARG  35   6.218   9.492  -6.347
  231   1HB   ARG  35          2HB       ARG  35   5.197   6.949  -7.535
  232   2HB   ARG  35          1HB       ARG  35   6.362   8.095  -8.183
  233   1HG   ARG  35          2HG       ARG  35   6.993   6.444  -5.767
  234   2HG   ARG  35          1HG       ARG  35   7.201   5.807  -7.398
  235   1HD   ARG  35          2HD       ARG  35   8.408   8.413  -6.507
  236   2HD   ARG  35          1HD       ARG  35   9.238   6.870  -6.318
  237    HE   ARG  35           HE       ARG  35   9.502   6.740  -8.632
  238   1HH1  ARG  35          1HH1      ARG  35   7.682   9.578  -7.729
  239   2HH1  ARG  35          2HH1      ARG  35   7.884  10.348  -9.266
  240   1HH2  ARG  35          1HH2      ARG  35   9.764   7.754 -10.657
  241   2HH2  ARG  35          2HH2      ARG  35   9.060   9.312 -10.927
  242    H    SER  36           H        SER  36   3.665   9.148  -4.646
  243    HA   SER  36           HA       SER  36   1.718   9.503  -6.801
  244   1HB   SER  36          2HB       SER  36   1.299   7.793  -4.993
  245   2HB   SER  36          1HB       SER  36   1.157   9.126  -3.852
  246    HG   SER  36           HG       SER  36  -0.744   8.144  -5.320
  247    H    ASP  37           H        ASP  37   0.488  10.825  -4.022
  248    HA   ASP  37           HA       ASP  37   1.703  13.312  -3.790
  249   1HB   ASP  37          2HB       ASP  37   0.846  13.375  -6.232
  250   2HB   ASP  37          1HB       ASP  37  -0.748  13.573  -5.512
  251    H    THR  38           H        THR  38   0.231  11.252  -2.300
  252    HA   THR  38           HA       THR  38  -1.309  13.009  -0.636
  253    HB   THR  38           HB       THR  38  -2.796  10.626  -1.710
  254    HG1  THR  38           1HG      THR  38  -2.684  11.708  -3.543
  255   1HG2  THR  38          1HG2      THR  38  -3.590  13.134  -0.279
  256   2HG2  THR  38          2HG2      THR  38  -3.873  11.457   0.186
  257   3HG2  THR  38          3HG2      THR  38  -4.752  12.154  -1.174
  258    HA   PRO  39           HA       PRO  39   0.387  10.224   2.341
  259   1HB   PRO  39          2HB       PRO  39  -1.343  10.744   4.406
  260   2HB   PRO  39          1HB       PRO  39   0.012  11.788   3.964
  261   1HG   PRO  39          2HG       PRO  39  -2.886  12.052   3.275
  262   2HG   PRO  39          1HG       PRO  39  -1.729  13.306   3.755
  263   1HD   PRO  39          2HD       PRO  39  -2.444  12.938   1.187
  264   2HD   PRO  39          1HD       PRO  39  -0.802  13.440   1.641
  265    H    ILE  40           H        ILE  40  -0.342   8.356   1.046
  266    HA   ILE  40           HA       ILE  40  -2.900   7.191   1.420
  267    HB   ILE  40           HB       ILE  40  -0.385   5.699   0.682
  268   1HG1  ILE  40          2HG1      ILE  40  -2.225   7.292  -1.118
  269   2HG1  ILE  40          1HG1      ILE  40  -0.563   7.713  -0.712
  270   1HG2  ILE  40          1HG2      ILE  40  -2.483   4.753  -0.823
  271   2HG2  ILE  40          2HG2      ILE  40  -3.229   5.087   0.740
  272   3HG2  ILE  40          3HG2      ILE  40  -1.838   4.007   0.640
  273   1HD1  ILE  40          1HD1      ILE  40   0.259   6.366  -2.276
  274   2HD1  ILE  40          2HD1      ILE  40  -1.387   6.289  -2.906
  275   3HD1  ILE  40          3HD1      ILE  40  -0.801   5.037  -1.810
  276    H    GLU  41           H        GLU  41  -3.626   5.659   2.850
  277    HA   GLU  41           HA       GLU  41  -1.709   4.802   4.932
  278   1HB   GLU  41          2HB       GLU  41  -4.531   5.805   5.278
  279   2HB   GLU  41          1HB       GLU  41  -3.701   4.875   6.517
  280   1HG   GLU  41          2HG       GLU  41  -1.952   6.587   6.617
  281   2HG   GLU  41          1HG       GLU  41  -2.815   7.525   5.398
  282    H    LEU  42           H        LEU  42  -3.035   3.011   6.342
  283    HA   LEU  42           HA       LEU  42  -3.863   1.030   4.334
  284   1HB   LEU  42          2HB       LEU  42  -2.054   0.859   6.503
  285   2HB   LEU  42          1HB       LEU  42  -3.434  -0.146   6.909
  286    HG   LEU  42           HG       LEU  42  -1.657  -1.419   5.770
  287   1HD1  LEU  42          1HD1      LEU  42  -3.240  -2.731   4.948
  288   2HD1  LEU  42          2HD1      LEU  42  -3.613  -1.578   3.667
  289   3HD1  LEU  42          3HD1      LEU  42  -4.389  -1.427   5.244
  290   1HD2  LEU  42          1HD2      LEU  42  -1.387   0.820   4.202
  291   2HD2  LEU  42          2HD2      LEU  42  -2.194  -0.322   3.127
  292   3HD2  LEU  42          3HD2      LEU  42  -0.662  -0.756   3.885
  293    H    VAL  43           H        VAL  43  -5.856   0.172   4.376
  294    HA   VAL  43           HA       VAL  43  -7.547   0.820   6.697
  295    HB   VAL  43           HB       VAL  43  -7.995   2.290   4.736
  296   1HG1  VAL  43          1HG1      VAL  43  -9.452   1.015   2.954
  297   2HG1  VAL  43          2HG1      VAL  43  -8.446  -0.347   3.445
  298   3HG1  VAL  43          3HG1      VAL  43  -7.698   1.116   2.806
  299   1HG2  VAL  43          1HG2      VAL  43 -10.054   0.507   5.939
  300   2HG2  VAL  43          2HG2      VAL  43 -10.529   1.640   4.674
  301   3HG2  VAL  43          3HG2      VAL  43  -9.789   2.238   6.159
  302    H    HIS  44           H        HIS  44  -6.784  -1.419   4.115
  303    HA   HIS  44           HA       HIS  44  -8.164  -3.524   5.606
  304   1HB   HIS  44          2HB       HIS  44  -8.367  -3.594   2.628
  305   2HB   HIS  44          1HB       HIS  44  -9.429  -4.301   3.842
  306    HD1  HIS  44           1HD      HIS  44 -10.134  -1.803   5.460
  307    HD2  HIS  44           2HD      HIS  44 -10.071  -1.938   1.313
  308    HE1  HIS  44           1HE      HIS  44 -11.611   0.077   4.704
  309    HE2  HIS  44           2HE      HIS  44 -11.569  -0.024   2.189
  310    H    LYS  45           H        LYS  45  -7.045  -5.379   5.731
  311    HA   LYS  45           HA       LYS  45  -4.421  -5.449   4.483
  312   1HB   LYS  45          2HB       LYS  45  -5.492  -7.573   6.313
  313   2HB   LYS  45          1HB       LYS  45  -3.829  -7.055   6.077
  314   1HG   LYS  45          2HG       LYS  45  -5.660  -5.010   7.137
  315   2HG   LYS  45          1HG       LYS  45  -5.333  -6.379   8.200
  316   1HD   LYS  45          2HD       LYS  45  -2.915  -5.991   7.908
  317   2HD   LYS  45          1HD       LYS  45  -3.281  -4.582   6.909
  318   1HE   LYS  45          2HE       LYS  45  -4.604  -3.712   8.899
  319   2HE   LYS  45          1HE       LYS  45  -3.829  -4.988   9.836
  320   1HZ   LYS  45          1HZ       LYS  45  -2.624  -2.606   8.598
  321   2HZ   LYS  45          2HZ       LYS  45  -1.673  -3.981   8.862
  322   3HZ   LYS  45          3HZ       LYS  45  -2.428  -3.213  10.165
  323    H    GLY  46           H        GLY  46  -6.059  -5.692   2.452
  324   1HA   GLY  46          2HA       GLY  46  -5.426  -8.141   1.271
  325   2HA   GLY  46          1HA       GLY  46  -7.071  -8.262   1.882
  326    H    ARG  47           H        ARG  47  -7.809  -8.501  -0.282
  327    HA   ARG  47           HA       ARG  47  -7.403  -6.366  -2.172
  328   1HB   ARG  47          2HB       ARG  47  -9.584  -8.288  -2.663
  329   2HB   ARG  47          1HB       ARG  47  -8.266  -7.784  -3.714
  330   1HG   ARG  47          2HG       ARG  47  -6.838  -9.200  -1.997
  331   2HG   ARG  47          1HG       ARG  47  -8.391 -10.004  -1.754
  332   1HD   ARG  47          2HD       ARG  47  -8.132  -9.736  -4.518
  333   2HD   ARG  47          1HD       ARG  47  -6.531 -10.214  -3.953
  334    HE   ARG  47           HE       ARG  47  -8.189 -11.938  -2.681
  335   1HH1  ARG  47          1HH1      ARG  47  -7.787 -11.018  -6.017
  336   2HH1  ARG  47          2HH1      ARG  47  -8.269 -12.563  -6.634
  337   1HH2  ARG  47          1HH2      ARG  47  -8.828 -13.972  -3.486
  338   2HH2  ARG  47          2HH2      ARG  47  -8.863 -14.241  -5.196
  339    H    CYS  48           H        CYS  48  -8.304  -5.004  -0.194
  340    HA   CYS  48           HA       CYS  48  -9.939  -3.658   0.646
  341   1HB   CYS  48          2HB       CYS  48 -10.201  -3.738  -2.245
  342   2HB   CYS  48          1HB       CYS  48 -11.728  -3.349  -1.461
  Start of MODEL   10
    1   1H    LYS   1          1HT       LYS   1   8.435   4.455   9.921
    2   2H    LYS   1          2HT       LYS   1   8.174   3.624   8.442
    3   3H    LYS   1          3HT       LYS   1   6.916   4.566   9.134
    4    HA   LYS   1           HA       LYS   1   8.588   6.464   8.949
    5   1HB   LYS   1          2HB       LYS   1   9.808   4.230   7.470
    6   2HB   LYS   1          1HB       LYS   1   9.753   5.745   6.580
    7   1HG   LYS   1          2HG       LYS   1  10.982   6.869   8.312
    8   2HG   LYS   1          1HG       LYS   1  10.925   5.431   9.336
    9   1HD   LYS   1          2HD       LYS   1  12.647   4.473   8.270
   10   2HD   LYS   1          1HD       LYS   1  12.023   4.918   6.680
   11   1HE   LYS   1          2HE       LYS   1  12.868   7.222   7.054
   12   2HE   LYS   1          1HE       LYS   1  13.587   6.675   8.569
   13   1HZ   LYS   1          1HZ       LYS   1  14.825   6.664   6.176
   14   2HZ   LYS   1          2HZ       LYS   1  14.288   5.063   6.284
   15   3HZ   LYS   1          3HZ       LYS   1  15.275   5.708   7.498
   16    HA   PRO   2           HA       PRO   2   5.329   7.372   6.052
   17   1HB   PRO   2          2HB       PRO   2   5.509  10.016   6.084
   18   2HB   PRO   2          1HB       PRO   2   5.064   9.149   7.562
   19   1HG   PRO   2          2HG       PRO   2   7.743  10.230   6.742
   20   2HG   PRO   2          1HG       PRO   2   6.915  10.384   8.302
   21   1HD   PRO   2          2HD       PRO   2   8.849   8.508   7.767
   22   2HD   PRO   2          1HD       PRO   2   7.582   8.301   8.992
   23    H    ASP   3           H        ASP   3   7.813   6.520   4.958
   24    HA   ASP   3           HA       ASP   3   7.740   7.981   2.438
   25   1HB   ASP   3          2HB       ASP   3  10.488   7.377   2.927
   26   2HB   ASP   3          1HB       ASP   3   9.744   8.947   2.646
   27    H    CYS   4           H        CYS   4   9.752   6.737   1.093
   28    HA   CYS   4           HA       CYS   4   8.610   4.149   0.640
   29   1HB   CYS   4          2HB       CYS   4  11.215   4.763  -0.614
   30   2HB   CYS   4          1HB       CYS   4   9.732   4.149  -1.335
   31    HA   PRO   5           HA       PRO   5  11.330   1.871   3.278
   32   1HB   PRO   5          2HB       PRO   5  10.631  -0.602   2.557
   33   2HB   PRO   5          1HB       PRO   5   9.489   0.465   3.384
   34   1HG   PRO   5          2HG       PRO   5   9.686  -0.210   0.477
   35   2HG   PRO   5          1HG       PRO   5   8.242  -0.045   1.491
   36   1HD   PRO   5          2HD       PRO   5   9.210   1.915  -0.200
   37   2HD   PRO   5          1HD       PRO   5   8.163   2.217   1.198
   38    H    LEU   6           H        LEU   6  13.083   0.320   3.217
   39    HA   LEU   6           HA       LEU   6  14.717   0.649   0.848
   40   1HB   LEU   6          2HB       LEU   6  15.589   0.895   3.190
   41   2HB   LEU   6          1HB       LEU   6  15.358  -0.830   3.400
   42    HG   LEU   6           HG       LEU   6  17.002  -1.298   1.665
   43   1HD1  LEU   6          1HD1      LEU   6  16.803   1.632   1.246
   44   2HD1  LEU   6          2HD1      LEU   6  16.997   0.327   0.074
   45   3HD1  LEU   6          3HD1      LEU   6  18.380   0.875   1.021
   46   1HD2  LEU   6          1HD2      LEU   6  18.705   0.532   3.052
   47   2HD2  LEU   6          2HD2      LEU   6  18.553  -1.214   3.251
   48   3HD2  LEU   6          3HD2      LEU   6  17.516  -0.128   4.177
   49    H    ILE   7           H        ILE   7  12.672  -0.784   0.011
   50    HA   ILE   7           HA       ILE   7  12.149  -2.669  -1.156
   51    HB   ILE   7           HB       ILE   7  14.955  -3.487  -0.405
   52   1HG1  ILE   7          2HG1      ILE   7  14.319  -2.982  -3.214
   53   2HG1  ILE   7          1HG1      ILE   7  14.081  -1.570  -2.190
   54   1HG2  ILE   7          1HG2      ILE   7  13.593  -4.786  -2.680
   55   2HG2  ILE   7          2HG2      ILE   7  13.057  -5.268  -1.072
   56   3HG2  ILE   7          3HG2      ILE   7  14.751  -5.443  -1.526
   57   1HD1  ILE   7          1HD1      ILE   7  16.285  -1.312  -1.812
   58   2HD1  ILE   7          2HD1      ILE   7  16.414  -2.198  -3.332
   59   3HD1  ILE   7          3HD1      ILE   7  16.598  -3.047  -1.797
   60    H    CYS   8           H        CYS   8  10.508  -3.388   0.159
   61    HA   CYS   8           HA       CYS   8  11.056  -4.851   2.573
   62   1HB   CYS   8          2HB       CYS   8   8.813  -3.532   1.457
   63   2HB   CYS   8          1HB       CYS   8   8.362  -5.199   1.773
   64    H    THR   9           H        THR   9   8.783  -5.908   0.104
   65    HA   THR   9           HA       THR   9  10.300  -8.209  -0.632
   66    HB   THR   9           HB       THR   9   9.651  -9.010   1.541
   67    HG1  THR   9           1HG      THR   9   8.408 -10.819   0.902
   68   1HG2  THR   9          1HG2      THR   9   7.837  -7.859   2.325
   69   2HG2  THR   9          2HG2      THR   9   7.095  -9.393   1.869
   70   3HG2  THR   9          3HG2      THR   9   6.955  -7.993   0.805
   71    H    MET  10           H        MET  10   9.257  -9.490  -2.239
   72    HA   MET  10           HA       MET  10   7.000  -8.094  -3.512
   73   1HB   MET  10          2HB       MET  10   8.615  -9.986  -5.111
   74   2HB   MET  10          1HB       MET  10   7.939  -8.425  -5.557
   75   1HG   MET  10          2HG       MET  10   9.723  -7.318  -4.269
   76   2HG   MET  10          1HG       MET  10  10.421  -8.898  -3.922
   77   1HE   MET  10          1HE       MET  10  12.472  -6.613  -5.983
   78   2HE   MET  10          2HE       MET  10  10.939  -6.053  -5.316
   79   3HE   MET  10          3HE       MET  10  11.180  -6.085  -7.061
   80    H    GLN  11           H        GLN  11   6.740 -10.071  -1.428
   81    HA   GLN  11           HA       GLN  11   5.968 -12.547  -2.681
   82   1HB   GLN  11          2HB       GLN  11   5.903 -11.468   0.112
   83   2HB   GLN  11          1HB       GLN  11   4.957 -12.897  -0.284
   84   1HG   GLN  11          2HG       GLN  11   7.901 -12.676  -0.841
   85   2HG   GLN  11          1HG       GLN  11   7.247 -13.312   0.667
   86   1HE2  GLN  11          1HE2      GLN  11   7.518 -15.426   0.642
   87   2HE2  GLN  11          2HE2      GLN  11   7.125 -16.484  -0.665
   88    H    TYR  12           H        TYR  12   3.723 -11.433  -0.308
   89    HA   TYR  12           HA       TYR  12   1.890 -10.146  -1.995
   90   1HB   TYR  12          2HB       TYR  12   1.968 -12.949  -2.329
   91   2HB   TYR  12          1HB       TYR  12   0.493 -12.566  -1.452
   92    HD1  TYR  12           1HD      TYR  12   2.043 -10.254  -3.855
   93    HD2  TYR  12           2HD      TYR  12  -1.012 -13.152  -3.239
   94    HE1  TYR  12           1HE      TYR  12   0.972  -9.563  -5.958
   95    HE2  TYR  12           2HE      TYR  12  -2.090 -12.468  -5.340
   96    HH   TYR  12           HH       TYR  12  -1.361 -11.361  -7.510
   97    H    ASP  13           H        ASP  13   1.658  -8.824  -0.273
   98    HA   ASP  13           HA       ASP  13  -0.017  -9.844   1.914
   99   1HB   ASP  13          2HB       ASP  13   2.595  -8.852   2.228
  100   2HB   ASP  13          1HB       ASP  13   1.541  -7.525   2.704
  101    HA   PRO  14           HA       PRO  14  -1.581  -6.400  -0.968
  102   1HB   PRO  14          2HB       PRO  14  -4.075  -7.689  -1.056
  103   2HB   PRO  14          1HB       PRO  14  -2.842  -7.695  -2.320
  104   1HG   PRO  14          2HG       PRO  14  -3.394  -9.713  -0.195
  105   2HG   PRO  14          1HG       PRO  14  -2.886  -9.959  -1.877
  106   1HD   PRO  14          2HD       PRO  14  -1.139 -10.229   0.110
  107   2HD   PRO  14          1HD       PRO  14  -0.657  -9.431  -1.404
  108    H    VAL  15           H        VAL  15  -2.019  -4.688   0.173
  109    HA   VAL  15           HA       VAL  15  -4.179  -4.783   2.151
  110    HB   VAL  15           HB       VAL  15  -2.892  -3.012   3.385
  111   1HG1  VAL  15          1HG1      VAL  15  -1.958  -4.567   4.746
  112   2HG1  VAL  15          2HG1      VAL  15  -1.131  -5.381   3.417
  113   3HG1  VAL  15          3HG1      VAL  15  -2.849  -5.669   3.694
  114   1HG2  VAL  15          1HG2      VAL  15  -1.316  -2.948   1.167
  115   2HG2  VAL  15          2HG2      VAL  15  -0.333  -3.893   2.286
  116   3HG2  VAL  15          3HG2      VAL  15  -0.877  -2.278   2.739
  117    H    CYS  16           H        CYS  16  -5.737  -3.439   1.693
  118    HA   CYS  16           HA       CYS  16  -5.473  -1.603  -0.490
  119   1HB   CYS  16          2HB       CYS  16  -7.573  -2.938   0.847
  120   2HB   CYS  16          1HB       CYS  16  -7.874  -1.222   0.958
  121    H    GLY  17           H        GLY  17  -5.215   0.563  -0.415
  122   1HA   GLY  17          2HA       GLY  17  -4.949   1.696   2.286
  123   2HA   GLY  17          1HA       GLY  17  -3.987   2.197   0.908
  124    H    SER  18           H        SER  18  -5.790   3.575   2.822
  125    HA   SER  18           HA       SER  18  -8.145   4.470   1.776
  126   1HB   SER  18          2HB       SER  18  -6.140   5.532   3.633
  127   2HB   SER  18          1HB       SER  18  -7.070   6.784   2.814
  128    HG   SER  18           HG       SER  18  -7.834   5.510   4.893
  129    H    ASP  19           H        ASP  19  -8.280   4.706  -0.282
  130    HA   ASP  19           HA       ASP  19  -7.806   7.021  -1.636
  131   1HB   ASP  19          2HB       ASP  19  -5.384   6.545  -1.397
  132   2HB   ASP  19          1HB       ASP  19  -5.614   5.008  -2.222
  133    H    GLY  20           H        GLY  20  -8.042   3.574  -1.609
  134   1HA   GLY  20          2HA       GLY  20  -9.940   2.538  -2.666
  135   2HA   GLY  20          1HA       GLY  20  -9.766   3.687  -3.987
  136    H    ILE  21           H        ILE  21  -6.903   2.263  -2.624
  137    HA   ILE  21           HA       ILE  21  -6.775   0.509  -4.999
  138    HB   ILE  21           HB       ILE  21  -4.682   2.340  -3.886
  139   1HG1  ILE  21          2HG1      ILE  21  -4.460   3.039  -6.169
  140   2HG1  ILE  21          1HG1      ILE  21  -5.423   1.679  -6.737
  141   1HG2  ILE  21          1HG2      ILE  21  -4.202  -0.206  -5.410
  142   2HG2  ILE  21          2HG2      ILE  21  -3.448   0.336  -3.911
  143   3HG2  ILE  21          3HG2      ILE  21  -3.059   1.138  -5.432
  144   1HD1  ILE  21          1HD1      ILE  21  -6.404   4.126  -6.461
  145   2HD1  ILE  21          2HD1      ILE  21  -6.710   3.527  -4.831
  146   3HD1  ILE  21          3HD1      ILE  21  -7.380   2.676  -6.224
  147    H    THR  22           H        THR  22  -5.576  -1.376  -4.869
  148    HA   THR  22           HA       THR  22  -5.214  -2.417  -2.137
  149    HB   THR  22           HB       THR  22  -5.658  -4.054  -4.638
  150    HG1  THR  22           1HG      THR  22  -7.685  -3.626  -4.458
  151   1HG2  THR  22          1HG2      THR  22  -4.628  -5.181  -2.661
  152   2HG2  THR  22          2HG2      THR  22  -6.166  -5.861  -3.193
  153   3HG2  THR  22          3HG2      THR  22  -6.107  -4.823  -1.770
  154    H    TYR  23           H        TYR  23  -3.113  -1.974  -1.767
  155    HA   TYR  23           HA       TYR  23  -1.107  -2.315  -3.783
  156   1HB   TYR  23          2HB       TYR  23  -0.732  -1.739  -0.841
  157   2HB   TYR  23          1HB       TYR  23   0.388  -1.400  -2.157
  158    HD1  TYR  23           1HD      TYR  23  -2.686  -0.350  -0.488
  159    HD2  TYR  23           2HD      TYR  23  -0.077   0.412  -3.761
  160    HE1  TYR  23           1HE      TYR  23  -3.815   1.799  -0.879
  161    HE2  TYR  23           2HE      TYR  23  -1.190   2.573  -4.148
  162    HH   TYR  23           HH       TYR  23  -3.708   3.760  -1.980
  163    H    GLY  24           H        GLY  24   0.394  -3.839  -3.978
  164   1HA   GLY  24          2HA       GLY  24  -0.120  -6.452  -3.251
  165   2HA   GLY  24          1HA       GLY  24   1.466  -5.857  -3.724
  166    H    ASN  25           H        ASN  25   1.471  -3.963  -1.459
  167    HA   ASN  25           HA       ASN  25   1.348  -5.480   0.935
  168   1HB   ASN  25          2HB       ASN  25   4.120  -4.764  -0.037
  169   2HB   ASN  25          1HB       ASN  25   3.717  -5.548   1.484
  170   1HD2  ASN  25          1HD2      ASN  25   4.966  -6.068  -1.440
  171   2HD2  ASN  25          2HD2      ASN  25   4.580  -7.739  -1.651
  172    H    ALA  26           H        ALA  26   1.657  -4.232   2.792
  173    HA   ALA  26           HA       ALA  26   1.006  -1.527   2.619
  174   1HB   ALA  26          1HB       ALA  26   0.564  -2.139   4.739
  175   2HB   ALA  26          2HB       ALA  26   2.241  -1.693   5.052
  176   3HB   ALA  26          3HB       ALA  26   1.820  -3.377   4.746
  177    H    CYS  27           H        CYS  27   4.027  -3.189   2.455
  178    HA   CYS  27           HA       CYS  27   5.713  -0.929   2.930
  179   1HB   CYS  27          2HB       CYS  27   6.196  -3.653   1.720
  180   2HB   CYS  27          1HB       CYS  27   7.444  -2.427   1.825
  181    H    MET  28           H        MET  28   4.311  -2.536   0.145
  182    HA   MET  28           HA       MET  28   5.728  -1.062  -1.820
  183   1HB   MET  28          2HB       MET  28   3.090  -2.537  -1.918
  184   2HB   MET  28          1HB       MET  28   3.915  -1.889  -3.331
  185   1HG   MET  28          2HG       MET  28   5.871  -3.386  -2.116
  186   2HG   MET  28          1HG       MET  28   4.411  -4.331  -1.828
  187   1HE   MET  28          1HE       MET  28   6.441  -5.852  -4.954
  188   2HE   MET  28          2HE       MET  28   6.303  -5.897  -3.196
  189   3HE   MET  28          3HE       MET  28   7.265  -4.640  -3.972
  190    H    LEU  29           H        LEU  29   3.169  -0.400   0.306
  191    HA   LEU  29           HA       LEU  29   1.878   1.634  -1.176
  192   1HB   LEU  29          2HB       LEU  29   1.572   0.325   1.337
  193   2HB   LEU  29          1HB       LEU  29   1.549   2.061   1.601
  194    HG   LEU  29           HG       LEU  29  -0.308   0.398  -0.046
  195   1HD1  LEU  29          1HD1      LEU  29  -1.809   0.898   1.525
  196   2HD1  LEU  29          2HD1      LEU  29  -1.326   2.594   1.563
  197   3HD1  LEU  29          3HD1      LEU  29  -0.430   1.403   2.503
  198   1HD2  LEU  29          1HD2      LEU  29   0.389   3.284  -0.347
  199   2HD2  LEU  29          2HD2      LEU  29  -1.241   2.723  -0.687
  200   3HD2  LEU  29          3HD2      LEU  29   0.118   2.069  -1.590
  201    H    LEU  30           H        LEU  30   4.041   1.769   1.649
  202    HA   LEU  30           HA       LEU  30   4.334   4.515   1.737
  203   1HB   LEU  30          2HB       LEU  30   6.802   2.944   2.204
  204   2HB   LEU  30          1HB       LEU  30   6.056   4.179   3.197
  205    HG   LEU  30           HG       LEU  30   5.235   1.286   3.006
  206   1HD1  LEU  30          1HD1      LEU  30   6.946   2.836   4.787
  207   2HD1  LEU  30          2HD1      LEU  30   6.831   1.091   4.555
  208   3HD1  LEU  30          3HD1      LEU  30   5.700   1.914   5.629
  209   1HD2  LEU  30          1HD2      LEU  30   3.523   3.369   3.408
  210   2HD2  LEU  30          2HD2      LEU  30   4.011   2.978   5.058
  211   3HD2  LEU  30          3HD2      LEU  30   3.292   1.736   4.033
  212    H    GLY  31           H        GLY  31   5.718   2.168  -0.430
  213   1HA   GLY  31          2HA       GLY  31   7.630   3.958  -1.616
  214   2HA   GLY  31          1HA       GLY  31   7.103   2.408  -2.269
  215    H    ALA  32           H        ALA  32   4.279   3.240  -1.994
  216    HA   ALA  32           HA       ALA  32   4.018   4.520  -4.570
  217   1HB   ALA  32          1HB       ALA  32   2.585   2.659  -4.154
  218   2HB   ALA  32          2HB       ALA  32   1.579   4.108  -4.201
  219   3HB   ALA  32          3HB       ALA  32   2.000   3.376  -2.653
  220    H    SER  33           H        SER  33   2.613   5.134  -1.341
  221    HA   SER  33           HA       SER  33   1.548   7.636  -1.882
  222   1HB   SER  33          2HB       SER  33   2.381   7.800   0.769
  223   2HB   SER  33          1HB       SER  33   0.834   7.171   0.201
  224    HG   SER  33           HG       SER  33   1.518   5.411   1.144
  225    H    CYS  34           H        CYS  34   4.835   6.686  -1.427
  226    HA   CYS  34           HA       CYS  34   5.754   9.399  -0.929
  227   1HB   CYS  34          2HB       CYS  34   7.871   8.450  -0.528
  228   2HB   CYS  34          1HB       CYS  34   6.726   7.275   0.116
  229    H    ARG  35           H        ARG  35   6.013   6.949  -3.471
  230    HA   ARG  35           HA       ARG  35   7.588   8.600  -5.193
  231   1HB   ARG  35          2HB       ARG  35   7.365   6.826  -6.808
  232   2HB   ARG  35          1HB       ARG  35   7.663   6.124  -5.223
  233   1HG   ARG  35          2HG       ARG  35   5.979   4.767  -5.871
  234   2HG   ARG  35          1HG       ARG  35   5.001   6.071  -5.195
  235   1HD   ARG  35          2HD       ARG  35   4.144   5.411  -7.367
  236   2HD   ARG  35          1HD       ARG  35   4.782   7.053  -7.432
  237    HE   ARG  35           HE       ARG  35   6.884   5.614  -8.253
  238   1HH1  ARG  35          1HH1      ARG  35   3.532   5.557  -9.182
  239   2HH1  ARG  35          2HH1      ARG  35   3.855   5.042 -10.805
  240   1HH2  ARG  35          1HH2      ARG  35   7.324   4.934 -10.387
  241   2HH2  ARG  35          2HH2      ARG  35   6.012   4.686 -11.489
  242    H    SER  36           H        SER  36   4.163   8.026  -4.797
  243    HA   SER  36           HA       SER  36   3.394   9.141  -7.311
  244   1HB   SER  36          2HB       SER  36   1.898   7.592  -6.223
  245   2HB   SER  36          1HB       SER  36   1.824   8.603  -4.781
  246    HG   SER  36           HG       SER  36   1.124   9.883  -7.116
  247    H    ASP  37           H        ASP  37   1.994  10.412  -4.374
  248    HA   ASP  37           HA       ASP  37   3.328  12.852  -4.195
  249   1HB   ASP  37          2HB       ASP  37   1.968  12.827  -6.544
  250   2HB   ASP  37          1HB       ASP  37   0.737  13.486  -5.471
  251    H    THR  38           H        THR  38   0.300  11.113  -3.944
  252    HA   THR  38           HA       THR  38  -0.453  12.679  -1.590
  253    HB   THR  38           HB       THR  38  -2.570  12.388  -2.237
  254    HG1  THR  38           1HG      THR  38  -3.007  10.464  -1.445
  255   1HG2  THR  38          1HG2      THR  38  -1.290  12.368  -4.527
  256   2HG2  THR  38          2HG2      THR  38  -3.027  12.077  -4.442
  257   3HG2  THR  38          3HG2      THR  38  -1.912  10.719  -4.597
  258    HA   PRO  39           HA       PRO  39   1.211   9.266   0.797
  259   1HB   PRO  39          2HB       PRO  39   0.688  10.357   3.230
  260   2HB   PRO  39          1HB       PRO  39   2.062  10.843   2.230
  261   1HG   PRO  39          2HG       PRO  39  -0.600  12.170   2.566
  262   2HG   PRO  39          1HG       PRO  39   1.014  12.900   2.508
  263   1HD   PRO  39          2HD       PRO  39  -0.650  12.892   0.377
  264   2HD   PRO  39          1HD       PRO  39   1.115  12.805   0.206
  265    H    ILE  40           H        ILE  40  -0.755   8.101  -0.114
  266    HA   ILE  40           HA       ILE  40  -3.252   8.030   1.053
  267    HB   ILE  40           HB       ILE  40  -3.513   5.830   0.163
  268   1HG1  ILE  40          2HG1      ILE  40  -1.014   5.301   1.070
  269   2HG1  ILE  40          1HG1      ILE  40  -1.887   4.278  -0.058
  270   1HG2  ILE  40          1HG2      ILE  40  -1.897   7.718  -1.487
  271   2HG2  ILE  40          2HG2      ILE  40  -3.601   7.288  -1.617
  272   3HG2  ILE  40          3HG2      ILE  40  -2.363   6.151  -2.146
  273   1HD1  ILE  40          1HD1      ILE  40   0.600   5.134  -0.474
  274   2HD1  ILE  40          2HD1      ILE  40  -0.283   6.460  -1.228
  275   3HD1  ILE  40          3HD1      ILE  40  -0.532   4.806  -1.785
  276    H    GLU  41           H        GLU  41  -4.029   5.878   2.289
  277    HA   GLU  41           HA       GLU  41  -2.103   5.327   4.453
  278   1HB   GLU  41          2HB       GLU  41  -5.010   5.907   5.008
  279   2HB   GLU  41          1HB       GLU  41  -3.721   5.673   6.177
  280   1HG   GLU  41          2HG       GLU  41  -3.343   7.866   4.251
  281   2HG   GLU  41          1HG       GLU  41  -4.638   8.070   5.430
  282    H    LEU  42           H        LEU  42  -3.347   3.609   6.012
  283    HA   LEU  42           HA       LEU  42  -4.091   1.440   4.171
  284   1HB   LEU  42          2HB       LEU  42  -2.308   1.524   6.368
  285   2HB   LEU  42          1HB       LEU  42  -3.650   0.494   6.836
  286    HG   LEU  42           HG       LEU  42  -1.670  -0.665   5.752
  287   1HD1  LEU  42          1HD1      LEU  42  -3.120  -2.296   5.370
  288   2HD1  LEU  42          2HD1      LEU  42  -3.772  -1.451   3.966
  289   3HD1  LEU  42          3HD1      LEU  42  -4.421  -1.124   5.573
  290   1HD2  LEU  42          1HD2      LEU  42  -1.281  -0.473   3.464
  291   2HD2  LEU  42          2HD2      LEU  42  -1.515   1.194   3.988
  292   3HD2  LEU  42          3HD2      LEU  42  -2.822   0.335   3.174
  293    H    VAL  43           H        VAL  43  -6.044   0.495   4.263
  294    HA   VAL  43           HA       VAL  43  -7.806   1.294   6.479
  295    HB   VAL  43           HB       VAL  43  -8.355   2.487   4.399
  296   1HG1  VAL  43          1HG1      VAL  43  -9.495   1.055   2.601
  297   2HG1  VAL  43          2HG1      VAL  43  -8.609  -0.290   3.316
  298   3HG1  VAL  43          3HG1      VAL  43  -7.732   1.088   2.655
  299   1HG2  VAL  43          1HG2      VAL  43 -10.792   1.638   4.278
  300   2HG2  VAL  43          2HG2      VAL  43 -10.186   2.307   5.793
  301   3HG2  VAL  43          3HG2      VAL  43 -10.304   0.559   5.585
  302    H    HIS  44           H        HIS  44  -7.080  -1.178   4.061
  303    HA   HIS  44           HA       HIS  44  -8.203  -3.181   5.891
  304   1HB   HIS  44          2HB       HIS  44  -8.472  -3.737   2.988
  305   2HB   HIS  44          1HB       HIS  44  -9.530  -4.183   4.323
  306    HD1  HIS  44           1HD      HIS  44 -10.650  -1.767   5.416
  307    HD2  HIS  44           2HD      HIS  44  -9.727  -2.004   1.378
  308    HE1  HIS  44           1HE      HIS  44 -12.007   0.032   4.310
  309    HE2  HIS  44           2HE      HIS  44 -11.479  -0.163   1.854
  310    H    LYS  45           H        LYS  45  -6.947  -4.937   6.189
  311    HA   LYS  45           HA       LYS  45  -4.365  -4.959   4.845
  312   1HB   LYS  45          2HB       LYS  45  -5.230  -6.849   7.021
  313   2HB   LYS  45          1HB       LYS  45  -3.600  -6.349   6.590
  314   1HG   LYS  45          2HG       LYS  45  -3.758  -4.948   8.312
  315   2HG   LYS  45          1HG       LYS  45  -4.783  -3.972   7.257
  316   1HD   LYS  45          2HD       LYS  45  -5.802  -4.384   9.469
  317   2HD   LYS  45          1HD       LYS  45  -6.768  -5.032   8.142
  318   1HE   LYS  45          2HE       LYS  45  -4.977  -7.063   8.920
  319   2HE   LYS  45          1HE       LYS  45  -5.655  -6.390  10.401
  320   1HZ   LYS  45          1HZ       LYS  45  -7.766  -7.027   9.831
  321   2HZ   LYS  45          2HZ       LYS  45  -6.874  -8.291   9.146
  322   3HZ   LYS  45          3HZ       LYS  45  -7.452  -7.038   8.169
  323    H    GLY  46           H        GLY  46  -6.038  -5.597   2.947
  324   1HA   GLY  46          2HA       GLY  46  -5.279  -8.198   2.156
  325   2HA   GLY  46          1HA       GLY  46  -6.950  -8.219   2.704
  326    H    ARG  47           H        ARG  47  -7.873  -8.623   0.727
  327    HA   ARG  47           HA       ARG  47  -7.276  -6.850  -1.506
  328   1HB   ARG  47          2HB       ARG  47  -9.225  -8.412  -2.483
  329   2HB   ARG  47          1HB       ARG  47  -7.535  -8.896  -2.455
  330   1HG   ARG  47          2HG       ARG  47  -7.848 -10.289  -0.599
  331   2HG   ARG  47          1HG       ARG  47  -9.407  -9.558  -0.209
  332   1HD   ARG  47          2HD       ARG  47 -10.118 -10.429  -2.544
  333   2HD   ARG  47          1HD       ARG  47  -8.712 -11.482  -2.398
  334    HE   ARG  47           HE       ARG  47  -9.878 -12.748  -0.901
  335   1HH1  ARG  47          1HH1      ARG  47 -11.408  -9.629  -1.155
  336   2HH1  ARG  47          2HH1      ARG  47 -12.754 -10.065  -0.156
  337   1HH2  ARG  47          1HH2      ARG  47 -11.646 -13.333   0.412
  338   2HH2  ARG  47          2HH2      ARG  47 -12.891 -12.172   0.735
  339    H    CYS  48           H        CYS  48  -8.247  -5.232   0.265
  340    HA   CYS  48           HA       CYS  48  -9.920  -3.805   0.872
  341   1HB   CYS  48          2HB       CYS  48  -9.938  -4.133  -1.999
  342   2HB   CYS  48          1HB       CYS  48 -11.545  -3.731  -1.408
  Start of MODEL   11
    1   1H    LYS   1          1HT       LYS   1   2.462  11.120   7.298
    2   2H    LYS   1          2HT       LYS   1   2.356   9.594   8.076
    3   3H    LYS   1          3HT       LYS   1   3.121   9.729   6.545
    4    HA   LYS   1           HA       LYS   1   4.425  11.514   8.088
    5   1HB   LYS   1          2HB       LYS   1   3.167  10.357   9.978
    6   2HB   LYS   1          1HB       LYS   1   4.141   8.938   9.631
    7   1HG   LYS   1          2HG       LYS   1   6.072   9.896  10.415
    8   2HG   LYS   1          1HG       LYS   1   5.502  11.540  10.118
    9   1HD   LYS   1          2HD       LYS   1   3.696  10.608  11.960
   10   2HD   LYS   1          1HD       LYS   1   5.199   9.843  12.479
   11   1HE   LYS   1          2HE       LYS   1   6.288  12.074  12.419
   12   2HE   LYS   1          1HE       LYS   1   4.720  12.789  12.047
   13   1HZ   LYS   1          1HZ       LYS   1   5.307  11.206  14.490
   14   2HZ   LYS   1          2HZ       LYS   1   3.875  12.038  14.146
   15   3HZ   LYS   1          3HZ       LYS   1   5.305  12.897  14.421
   16    HA   PRO   2           HA       PRO   2   7.212   7.645   7.105
   17   1HB   PRO   2          2HB       PRO   2   5.961   5.617   5.759
   18   2HB   PRO   2          1HB       PRO   2   6.174   5.647   7.512
   19   1HG   PRO   2          2HG       PRO   2   3.778   6.395   5.882
   20   2HG   PRO   2          1HG       PRO   2   3.860   5.464   7.390
   21   1HD   PRO   2          2HD       PRO   2   3.144   8.050   7.368
   22   2HD   PRO   2          1HD       PRO   2   4.098   7.359   8.695
   23    H    ASP   3           H        ASP   3   7.723   6.434   4.854
   24    HA   ASP   3           HA       ASP   3   6.665   7.696   2.514
   25   1HB   ASP   3          2HB       ASP   3   9.250   8.647   3.692
   26   2HB   ASP   3          1HB       ASP   3   9.069   8.595   1.941
   27    H    CYS   4           H        CYS   4   8.182   7.151   0.578
   28    HA   CYS   4           HA       CYS   4   8.199   4.605  -0.081
   29   1HB   CYS   4          2HB       CYS   4  10.830   5.366  -0.854
   30   2HB   CYS   4          1HB       CYS   4   9.374   5.336  -1.836
   31    HA   PRO   5           HA       PRO   5  10.910   2.453   2.703
   32   1HB   PRO   5          2HB       PRO   5  10.386  -0.015   1.862
   33   2HB   PRO   5          1HB       PRO   5   9.118   0.971   2.602
   34   1HG   PRO   5          2HG       PRO   5   9.537   0.261  -0.251
   35   2HG   PRO   5          1HG       PRO   5   8.028   0.575   0.622
   36   1HD   PRO   5          2HD       PRO   5   9.496   2.387  -1.021
   37   2HD   PRO   5          1HD       PRO   5   8.056   2.740  -0.049
   38    H    LEU   6           H        LEU   6  12.428   0.378   2.382
   39    HA   LEU   6           HA       LEU   6  14.222   0.993   0.125
   40   1HB   LEU   6          2HB       LEU   6  14.795   0.093   2.938
   41   2HB   LEU   6          1HB       LEU   6  15.971  -0.117   1.654
   42    HG   LEU   6           HG       LEU   6  14.807   2.582   2.286
   43   1HD1  LEU   6          1HD1      LEU   6  17.452   2.243   3.330
   44   2HD1  LEU   6          2HD1      LEU   6  16.368   1.049   4.045
   45   3HD1  LEU   6          3HD1      LEU   6  15.984   2.766   4.156
   46   1HD2  LEU   6          1HD2      LEU   6  17.481   1.859   1.116
   47   2HD2  LEU   6          2HD2      LEU   6  16.668   3.425   1.105
   48   3HD2  LEU   6          3HD2      LEU   6  16.039   2.098   0.129
   49    H    ILE   7           H        ILE   7  12.358  -0.591  -0.690
   50    HA   ILE   7           HA       ILE   7  11.905  -2.606  -1.645
   51    HB   ILE   7           HB       ILE   7  14.767  -3.182  -0.880
   52   1HG1  ILE   7          2HG1      ILE   7  13.594  -2.587  -3.599
   53   2HG1  ILE   7          1HG1      ILE   7  14.288  -1.349  -2.557
   54   1HG2  ILE   7          1HG2      ILE   7  14.283  -4.901  -2.883
   55   2HG2  ILE   7          2HG2      ILE   7  12.691  -4.872  -2.125
   56   3HG2  ILE   7          3HG2      ILE   7  14.110  -5.325  -1.180
   57   1HD1  ILE   7          1HD1      ILE   7  16.112  -3.544  -2.848
   58   2HD1  ILE   7          2HD1      ILE   7  16.327  -1.840  -3.249
   59   3HD1  ILE   7          3HD1      ILE   7  15.607  -2.939  -4.426
   60    H    CYS   8           H        CYS   8  10.337  -3.342  -0.271
   61    HA   CYS   8           HA       CYS   8  11.005  -4.472   2.275
   62   1HB   CYS   8          2HB       CYS   8   8.680  -3.428   1.090
   63   2HB   CYS   8          1HB       CYS   8   8.330  -5.095   1.517
   64    H    THR   9           H        THR   9   8.793  -6.073   0.032
   65    HA   THR   9           HA       THR   9  10.503  -8.286  -0.462
   66    HB   THR   9           HB       THR   9  10.208  -8.794   1.845
   67    HG1  THR   9           1HG      THR   9  10.020 -10.704   0.927
   68   1HG2  THR   9          1HG2      THR   9   8.388  -7.584   2.613
   69   2HG2  THR   9          2HG2      THR   9   7.834  -9.257   2.691
   70   3HG2  THR   9          3HG2      THR   9   7.316  -8.216   1.364
   71    H    MET  10           H        MET  10   8.981 -10.314  -0.994
   72    HA   MET  10           HA       MET  10   6.834  -9.284  -2.724
   73   1HB   MET  10          2HB       MET  10   7.333 -10.992  -4.318
   74   2HB   MET  10          1HB       MET  10   8.858 -10.226  -3.893
   75   1HG   MET  10          2HG       MET  10   9.303 -12.087  -2.326
   76   2HG   MET  10          1HG       MET  10   7.826 -12.867  -2.887
   77   1HE   MET  10          1HE       MET  10  11.106 -13.035  -2.726
   78   2HE   MET  10          2HE       MET  10  11.886 -13.342  -4.278
   79   3HE   MET  10          3HE       MET  10  10.932 -14.608  -3.505
   80    H    GLN  11           H        GLN  11   6.870 -10.332   0.110
   81    HA   GLN  11           HA       GLN  11   5.469 -12.821   0.064
   82   1HB   GLN  11          2HB       GLN  11   6.536 -11.020   2.068
   83   2HB   GLN  11          1HB       GLN  11   4.911 -11.538   2.497
   84   1HG   GLN  11          2HG       GLN  11   6.740 -13.655   1.577
   85   2HG   GLN  11          1HG       GLN  11   7.132 -12.905   3.123
   86   1HE2  GLN  11          1HE2      GLN  11   5.048 -12.590   4.514
   87   2HE2  GLN  11          2HE2      GLN  11   4.064 -14.002   4.661
   88    H    TYR  12           H        TYR  12   4.065 -11.888  -1.651
   89    HA   TYR  12           HA       TYR  12   2.259 -10.102  -1.904
   90   1HB   TYR  12          2HB       TYR  12   2.173 -12.884  -2.426
   91   2HB   TYR  12          1HB       TYR  12   0.597 -12.410  -1.803
   92    HD1  TYR  12           1HD      TYR  12  -0.965 -11.902  -3.413
   93    HD2  TYR  12           2HD      TYR  12   3.120 -10.994  -4.183
   94    HE1  TYR  12           1HE      TYR  12  -1.584 -11.026  -5.626
   95    HE2  TYR  12           2HE      TYR  12   2.510 -10.114  -6.397
   96    HH   TYR  12           HH       TYR  12  -0.234 -10.740  -7.939
   97    H    ASP  13           H        ASP  13   1.867  -8.899  -0.087
   98    HA   ASP  13           HA       ASP  13  -0.181  -9.989   1.724
   99   1HB   ASP  13          2HB       ASP  13   2.370  -8.929   2.408
  100   2HB   ASP  13          1HB       ASP  13   1.166  -7.745   2.908
  101    HA   PRO  14           HA       PRO  14  -1.540  -6.499  -1.145
  102   1HB   PRO  14          2HB       PRO  14  -4.077  -7.710  -1.260
  103   2HB   PRO  14          1HB       PRO  14  -2.826  -7.768  -2.504
  104   1HG   PRO  14          2HG       PRO  14  -3.486  -9.752  -0.380
  105   2HG   PRO  14          1HG       PRO  14  -2.936 -10.023  -2.046
  106   1HD   PRO  14          2HD       PRO  14  -1.262 -10.328   0.008
  107   2HD   PRO  14          1HD       PRO  14  -0.706  -9.578  -1.506
  108    H    VAL  15           H        VAL  15  -1.924  -4.757   0.027
  109    HA   VAL  15           HA       VAL  15  -4.004  -4.880   2.098
  110    HB   VAL  15           HB       VAL  15  -2.783  -2.958   3.140
  111   1HG1  VAL  15          1HG1      VAL  15  -1.785  -4.437   4.486
  112   2HG1  VAL  15          2HG1      VAL  15  -0.699  -4.976   3.205
  113   3HG1  VAL  15          3HG1      VAL  15  -2.313  -5.673   3.344
  114   1HG2  VAL  15          1HG2      VAL  15  -0.647  -3.709   1.154
  115   2HG2  VAL  15          2HG2      VAL  15  -0.437  -2.599   2.509
  116   3HG2  VAL  15          3HG2      VAL  15  -1.547  -2.193   1.201
  117    H    CYS  16           H        CYS  16  -5.613  -3.523   1.957
  118    HA   CYS  16           HA       CYS  16  -5.907  -1.941  -0.412
  119   1HB   CYS  16          2HB       CYS  16  -7.604  -3.156   1.478
  120   2HB   CYS  16          1HB       CYS  16  -7.922  -1.438   1.529
  121    H    GLY  17           H        GLY  17  -5.147   0.027  -0.624
  122   1HA   GLY  17          2HA       GLY  17  -4.482   1.556   1.772
  123   2HA   GLY  17          1HA       GLY  17  -3.864   1.845   0.155
  124    H    SER  18           H        SER  18  -5.384   3.365   2.351
  125    HA   SER  18           HA       SER  18  -7.867   4.183   1.490
  126   1HB   SER  18          2HB       SER  18  -7.019   4.922   3.630
  127   2HB   SER  18          1HB       SER  18  -5.685   5.771   2.855
  128    HG   SER  18           HG       SER  18  -8.198   6.507   1.992
  129    H    ASP  19           H        ASP  19  -8.023   4.296  -0.613
  130    HA   ASP  19           HA       ASP  19  -7.690   6.672  -1.977
  131   1HB   ASP  19          2HB       ASP  19  -5.242   5.239  -1.842
  132   2HB   ASP  19          1HB       ASP  19  -5.847   5.056  -3.485
  133    H    GLY  20           H        GLY  20  -7.862   3.202  -1.991
  134   1HA   GLY  20          2HA       GLY  20  -9.899   2.224  -2.909
  135   2HA   GLY  20          1HA       GLY  20  -9.720   3.325  -4.270
  136    H    ILE  21           H        ILE  21  -6.981   1.637  -2.816
  137    HA   ILE  21           HA       ILE  21  -7.021  -0.247  -5.071
  138    HB   ILE  21           HB       ILE  21  -4.726   1.594  -4.446
  139   1HG1  ILE  21          2HG1      ILE  21  -6.688   2.424  -5.846
  140   2HG1  ILE  21          1HG1      ILE  21  -5.093   2.546  -6.584
  141   1HG2  ILE  21          1HG2      ILE  21  -3.869  -0.620  -4.920
  142   2HG2  ILE  21          2HG2      ILE  21  -3.553   0.446  -6.290
  143   3HG2  ILE  21          3HG2      ILE  21  -4.868  -0.725  -6.368
  144   1HD1  ILE  21          1HD1      ILE  21  -6.316   0.026  -7.227
  145   2HD1  ILE  21          2HD1      ILE  21  -5.728   1.299  -8.297
  146   3HD1  ILE  21          3HD1      ILE  21  -7.371   1.370  -7.661
  147    H    THR  22           H        THR  22  -6.026  -2.164  -4.772
  148    HA   THR  22           HA       THR  22  -5.104  -2.773  -2.055
  149    HB   THR  22           HB       THR  22  -5.858  -4.630  -4.328
  150    HG1  THR  22           1HG      THR  22  -7.802  -4.648  -3.508
  151   1HG2  THR  22          1HG2      THR  22  -6.108  -6.010  -1.956
  152   2HG2  THR  22          2HG2      THR  22  -4.584  -5.142  -1.781
  153   3HG2  THR  22          3HG2      THR  22  -4.836  -6.213  -3.159
  154    H    TYR  23           H        TYR  23  -3.007  -2.227  -1.959
  155    HA   TYR  23           HA       TYR  23  -1.209  -2.621  -4.149
  156   1HB   TYR  23          2HB       TYR  23  -0.609  -1.800  -1.307
  157   2HB   TYR  23          1HB       TYR  23   0.421  -1.572  -2.716
  158    HD1  TYR  23           1HD      TYR  23   0.051   0.258  -4.231
  159    HD2  TYR  23           2HD      TYR  23  -2.780  -0.585  -1.168
  160    HE1  TYR  23           1HE      TYR  23  -1.129   2.354  -4.744
  161    HE2  TYR  23           2HE      TYR  23  -3.963   1.506  -1.669
  162    HH   TYR  23           HH       TYR  23  -3.470   3.701  -2.710
  163    H    GLY  24           H        GLY  24   0.437  -3.998  -4.356
  164   1HA   GLY  24          2HA       GLY  24   0.192  -6.615  -3.551
  165   2HA   GLY  24          1HA       GLY  24   1.710  -5.893  -4.064
  166    H    ASN  25           H        ASN  25   1.419  -3.958  -1.762
  167    HA   ASN  25           HA       ASN  25   1.482  -5.408   0.633
  168   1HB   ASN  25          2HB       ASN  25   3.950  -5.391  -0.908
  169   2HB   ASN  25          1HB       ASN  25   4.167  -4.690   0.693
  170   1HD2  ASN  25          1HD2      ASN  25   5.021  -7.258  -0.613
  171   2HD2  ASN  25          2HD2      ASN  25   4.537  -8.488   0.499
  172    H    ALA  26           H        ALA  26   1.700  -4.087   2.432
  173    HA   ALA  26           HA       ALA  26   0.978  -1.423   2.186
  174   1HB   ALA  26          1HB       ALA  26   2.179  -1.388   4.600
  175   2HB   ALA  26          2HB       ALA  26   1.985  -3.127   4.376
  176   3HB   ALA  26          3HB       ALA  26   0.576  -2.068   4.317
  177    H    CYS  27           H        CYS  27   4.080  -2.959   2.079
  178    HA   CYS  27           HA       CYS  27   5.661  -0.611   2.440
  179   1HB   CYS  27          2HB       CYS  27   6.258  -3.308   1.218
  180   2HB   CYS  27          1HB       CYS  27   7.464  -2.057   1.462
  181    H    MET  28           H        MET  28   4.378  -2.409  -0.298
  182    HA   MET  28           HA       MET  28   5.650  -0.933  -2.334
  183   1HB   MET  28          2HB       MET  28   3.003  -2.401  -2.367
  184   2HB   MET  28          1HB       MET  28   3.927  -1.918  -3.785
  185   1HG   MET  28          2HG       MET  28   5.795  -3.359  -2.966
  186   2HG   MET  28          1HG       MET  28   4.720  -3.928  -1.692
  187   1HE   MET  28          1HE       MET  28   5.389  -4.248  -5.746
  188   2HE   MET  28          2HE       MET  28   5.431  -5.976  -5.397
  189   3HE   MET  28          3HE       MET  28   6.395  -4.858  -4.433
  190    H    LEU  29           H        LEU  29   3.024  -0.325  -0.223
  191    HA   LEU  29           HA       LEU  29   1.711   1.673  -1.740
  192   1HB   LEU  29          2HB       LEU  29   1.414   0.423   0.819
  193   2HB   LEU  29          1HB       LEU  29   1.323   2.166   1.012
  194    HG   LEU  29           HG       LEU  29  -0.436   0.381  -0.623
  195   1HD1  LEU  29          1HD1      LEU  29  -1.917   2.288   0.713
  196   2HD1  LEU  29          2HD1      LEU  29  -0.641   1.855   1.852
  197   3HD1  LEU  29          3HD1      LEU  29  -1.693   0.604   1.189
  198   1HD2  LEU  29          1HD2      LEU  29   0.093   3.305  -0.927
  199   2HD2  LEU  29          2HD2      LEU  29  -1.481   2.621  -1.315
  200   3HD2  LEU  29          3HD2      LEU  29  -0.047   2.065  -2.168
  201    H    LEU  30           H        LEU  30   4.077   1.782   0.907
  202    HA   LEU  30           HA       LEU  30   4.304   4.529   1.151
  203   1HB   LEU  30          2HB       LEU  30   6.696   2.694   1.193
  204   2HB   LEU  30          1HB       LEU  30   6.469   4.183   2.088
  205    HG   LEU  30           HG       LEU  30   5.313   1.475   2.618
  206   1HD1  LEU  30          1HD1      LEU  30   7.072   1.584   4.003
  207   2HD1  LEU  30          2HD1      LEU  30   6.014   2.595   4.987
  208   3HD1  LEU  30          3HD1      LEU  30   7.180   3.339   3.893
  209   1HD2  LEU  30          1HD2      LEU  30   3.362   2.793   2.724
  210   2HD2  LEU  30          2HD2      LEU  30   4.215   4.134   3.488
  211   3HD2  LEU  30          3HD2      LEU  30   3.924   2.647   4.389
  212    H    GLY  31           H        GLY  31   5.507   2.334  -1.280
  213   1HA   GLY  31          2HA       GLY  31   7.208   4.202  -2.617
  214   2HA   GLY  31          1HA       GLY  31   6.562   2.712  -3.301
  215    H    ALA  32           H        ALA  32   3.823   3.422  -2.675
  216    HA   ALA  32           HA       ALA  32   3.188   4.888  -5.047
  217   1HB   ALA  32          1HB       ALA  32   1.540   3.728  -2.819
  218   2HB   ALA  32          2HB       ALA  32   1.714   3.134  -4.470
  219   3HB   ALA  32          3HB       ALA  32   0.828   4.627  -4.158
  220    H    SER  33           H        SER  33   2.260   5.445  -1.638
  221    HA   SER  33           HA       SER  33   1.405   8.050  -1.899
  222   1HB   SER  33          2HB       SER  33   2.914   7.823   0.544
  223   2HB   SER  33          1HB       SER  33   1.164   7.853   0.330
  224    HG   SER  33           HG       SER  33   1.895   5.914   1.317
  225    H    CYS  34           H        CYS  34   4.569   6.714  -1.950
  226    HA   CYS  34           HA       CYS  34   6.009   9.163  -1.592
  227   1HB   CYS  34          2HB       CYS  34   7.128   7.138  -1.003
  228   2HB   CYS  34          1HB       CYS  34   6.809   6.426  -2.582
  229    H    ARG  35           H        ARG  35   4.689   7.401  -4.315
  230    HA   ARG  35           HA       ARG  35   6.141   8.540  -6.402
  231   1HB   ARG  35          2HB       ARG  35   3.434   7.340  -6.128
  232   2HB   ARG  35          1HB       ARG  35   3.715   8.327  -7.550
  233   1HG   ARG  35          2HG       ARG  35   4.238   5.668  -7.354
  234   2HG   ARG  35          1HG       ARG  35   4.959   6.762  -8.532
  235   1HD   ARG  35          2HD       ARG  35   6.980   6.765  -7.492
  236   2HD   ARG  35          1HD       ARG  35   6.278   6.585  -5.887
  237    HE   ARG  35           HE       ARG  35   6.681   4.360  -6.077
  238   1HH1  ARG  35          1HH1      ARG  35   6.261   5.657  -9.281
  239   2HH1  ARG  35          2HH1      ARG  35   6.536   4.141 -10.071
  240   1HH2  ARG  35          1HH2      ARG  35   7.057   2.360  -7.109
  241   2HH2  ARG  35          2HH2      ARG  35   6.995   2.269  -8.838
  242    H    SER  36           H        SER  36   3.482   9.692  -4.487
  243    HA   SER  36           HA       SER  36   3.442  12.259  -5.927
  244   1HB   SER  36          2HB       SER  36   1.305  10.954  -5.367
  245   2HB   SER  36          1HB       SER  36   1.607  11.393  -3.693
  246    HG   SER  36           HG       SER  36   1.546  13.593  -4.354
  247    H    ASP  37           H        ASP  37   3.163  11.148  -2.604
  248    HA   ASP  37           HA       ASP  37   5.384  12.407  -1.508
  249   1HB   ASP  37          2HB       ASP  37   4.317  14.532  -2.034
  250   2HB   ASP  37          1HB       ASP  37   2.819  14.003  -1.275
  251    H    THR  38           H        THR  38   1.993  12.354  -0.508
  252    HA   THR  38           HA       THR  38   2.309   9.946   0.996
  253    HB   THR  38           HB       THR  38   3.356  11.754   2.443
  254    HG1  THR  38           1HG      THR  38   1.129  10.579   3.701
  255   1HG2  THR  38          1HG2      THR  38   0.930  13.081   1.971
  256   2HG2  THR  38          2HG2      THR  38   2.245  13.562   3.042
  257   3HG2  THR  38          3HG2      THR  38   0.917  12.583   3.662
  258    HA   PRO  39           HA       PRO  39  -2.112  11.362   0.198
  259   1HB   PRO  39          2HB       PRO  39  -2.649  11.060  -2.368
  260   2HB   PRO  39          1HB       PRO  39  -1.714  12.466  -1.837
  261   1HG   PRO  39          2HG       PRO  39  -0.744   9.900  -3.051
  262   2HG   PRO  39          1HG       PRO  39  -0.256  11.564  -3.423
  263   1HD   PRO  39          2HD       PRO  39   1.117   9.854  -1.726
  264   2HD   PRO  39          1HD       PRO  39   1.239  11.617  -1.721
  265    H    ILE  40           H        ILE  40  -0.745   8.817   0.781
  266    HA   ILE  40           HA       ILE  40  -2.956   7.048   0.000
  267    HB   ILE  40           HB       ILE  40  -0.129   6.031   0.044
  268   1HG1  ILE  40          2HG1      ILE  40  -0.898   7.870  -1.795
  269   2HG1  ILE  40          1HG1      ILE  40   0.261   6.592  -2.117
  270   1HG2  ILE  40          1HG2      ILE  40  -1.348   4.149   0.121
  271   2HG2  ILE  40          2HG2      ILE  40  -1.533   4.426  -1.610
  272   3HG2  ILE  40          3HG2      ILE  40  -2.800   4.936  -0.496
  273   1HD1  ILE  40          1HD1      ILE  40  -1.319   5.294  -3.251
  274   2HD1  ILE  40          2HD1      ILE  40  -1.554   6.944  -3.827
  275   3HD1  ILE  40          3HD1      ILE  40  -2.665   6.256  -2.643
  276    H    GLU  41           H        GLU  41  -3.734   5.826   1.625
  277    HA   GLU  41           HA       GLU  41  -2.065   5.549   4.044
  278   1HB   GLU  41          2HB       GLU  41  -4.431   7.052   3.843
  279   2HB   GLU  41          1HB       GLU  41  -4.876   5.582   4.698
  280   1HG   GLU  41          2HG       GLU  41  -2.970   6.006   6.255
  281   2HG   GLU  41          1HG       GLU  41  -2.753   7.567   5.467
  282    H    LEU  42           H        LEU  42  -3.411   3.894   5.588
  283    HA   LEU  42           HA       LEU  42  -4.010   1.572   3.875
  284   1HB   LEU  42          2HB       LEU  42  -2.044   1.831   5.895
  285   2HB   LEU  42          1HB       LEU  42  -3.280   0.753   6.516
  286    HG   LEU  42           HG       LEU  42  -1.487  -0.492   5.398
  287   1HD1  LEU  42          1HD1      LEU  42  -3.505  -1.023   3.417
  288   2HD1  LEU  42          2HD1      LEU  42  -4.229  -0.777   5.007
  289   3HD1  LEU  42          3HD1      LEU  42  -2.985  -2.006   4.785
  290   1HD2  LEU  42          1HD2      LEU  42  -1.352  -0.312   2.896
  291   2HD2  LEU  42          2HD2      LEU  42  -0.698   1.062   3.789
  292   3HD2  LEU  42          3HD2      LEU  42  -2.285   1.178   3.028
  293    H    VAL  43           H        VAL  43  -5.743   0.294   4.370
  294    HA   VAL  43           HA       VAL  43  -7.448   1.202   6.590
  295    HB   VAL  43           HB       VAL  43  -9.018   0.083   4.451
  296   1HG1  VAL  43          1HG1      VAL  43  -9.023   2.876   5.575
  297   2HG1  VAL  43          2HG1      VAL  43  -9.775   1.491   6.368
  298   3HG1  VAL  43          3HG1      VAL  43 -10.358   2.029   4.793
  299   1HG2  VAL  43          1HG2      VAL  43  -7.097   2.252   3.723
  300   2HG2  VAL  43          2HG2      VAL  43  -8.707   2.225   3.002
  301   3HG2  VAL  43          3HG2      VAL  43  -7.620   0.854   2.783
  302    H    HIS  44           H        HIS  44  -6.873  -1.445   4.295
  303    HA   HIS  44           HA       HIS  44  -7.300  -3.354   6.477
  304   1HB   HIS  44          2HB       HIS  44  -8.451  -4.289   3.957
  305   2HB   HIS  44          1HB       HIS  44  -9.114  -4.344   5.588
  306    HD1  HIS  44           1HD      HIS  44 -10.312  -2.090   6.408
  307    HD2  HIS  44           2HD      HIS  44  -9.521  -2.360   2.341
  308    HE1  HIS  44           1HE      HIS  44 -11.703  -0.297   5.332
  309    HE2  HIS  44           2HE      HIS  44 -11.260  -0.519   2.863
  310    H    LYS  45           H        LYS  45  -6.356  -5.428   6.135
  311    HA   LYS  45           HA       LYS  45  -4.057  -5.308   4.336
  312   1HB   LYS  45          2HB       LYS  45  -4.639  -7.374   6.459
  313   2HB   LYS  45          1HB       LYS  45  -3.104  -7.072   5.659
  314   1HG   LYS  45          2HG       LYS  45  -3.973  -4.653   6.875
  315   2HG   LYS  45          1HG       LYS  45  -4.085  -5.957   8.059
  316   1HD   LYS  45          2HD       LYS  45  -1.766  -6.568   7.627
  317   2HD   LYS  45          1HD       LYS  45  -1.648  -5.302   6.403
  318   1HE   LYS  45          2HE       LYS  45  -0.658  -4.441   8.379
  319   2HE   LYS  45          1HE       LYS  45  -2.224  -3.651   8.208
  320   1HZ   LYS  45          1HZ       LYS  45  -3.143  -5.196   9.821
  321   2HZ   LYS  45          2HZ       LYS  45  -1.830  -4.359  10.483
  322   3HZ   LYS  45          3HZ       LYS  45  -1.642  -5.964   9.980
  323    H    GLY  46           H        GLY  46  -6.021  -5.630   2.685
  324   1HA   GLY  46          2HA       GLY  46  -5.584  -8.077   1.415
  325   2HA   GLY  46          1HA       GLY  46  -7.057  -8.242   2.358
  326    H    ARG  47           H        ARG  47  -8.262  -8.524   0.440
  327    HA   ARG  47           HA       ARG  47  -8.337  -6.395  -1.511
  328   1HB   ARG  47          2HB       ARG  47 -10.507  -8.354  -1.610
  329   2HB   ARG  47          1HB       ARG  47  -9.357  -7.886  -2.854
  330   1HG   ARG  47          2HG       ARG  47  -7.661  -9.313  -1.650
  331   2HG   ARG  47          1HG       ARG  47  -9.002  -9.926  -0.680
  332   1HD   ARG  47          2HD       ARG  47  -9.924 -11.071  -2.429
  333   2HD   ARG  47          1HD       ARG  47  -9.300  -9.947  -3.635
  334    HE   ARG  47           HE       ARG  47  -7.094 -11.211  -2.588
  335   1HH1  ARG  47          1HH1      ARG  47 -10.007 -12.177  -4.235
  336   2HH1  ARG  47          2HH1      ARG  47  -9.284 -13.571  -4.964
  337   1HH2  ARG  47          1HH2      ARG  47  -6.135 -13.044  -3.543
  338   2HH2  ARG  47          2HH2      ARG  47  -7.083 -14.065  -4.570
  339    H    CYS  48           H        CYS  48  -8.877  -5.068   0.628
  340    HA   CYS  48           HA       CYS  48 -10.410  -3.919   1.890
  341   1HB   CYS  48          2HB       CYS  48 -11.242  -3.825  -0.955
  342   2HB   CYS  48          1HB       CYS  48 -12.374  -3.178   0.230
  Start of MODEL   12
    1   1H    LYS   1          1HT       LYS   1   5.530   4.227  10.667
    2   2H    LYS   1          2HT       LYS   1   6.575   5.226  11.593
    3   3H    LYS   1          3HT       LYS   1   7.002   3.595  11.276
    4    HA   LYS   1           HA       LYS   1   7.685   5.819   9.852
    5   1HB   LYS   1          2HB       LYS   1   8.753   4.100   8.399
    6   2HB   LYS   1          1HB       LYS   1   9.036   3.838  10.113
    7   1HG   LYS   1          2HG       LYS   1   8.160   1.809  10.006
    8   2HG   LYS   1          1HG       LYS   1   6.675   2.433   9.284
    9   1HD   LYS   1          2HD       LYS   1   7.256   1.682   7.266
   10   2HD   LYS   1          1HD       LYS   1   8.849   2.431   7.379
   11   1HE   LYS   1          2HE       LYS   1   8.959  -0.021   7.099
   12   2HE   LYS   1          1HE       LYS   1   9.704   0.532   8.597
   13   1HZ   LYS   1          1HZ       LYS   1   7.617  -1.315   8.263
   14   2HZ   LYS   1          2HZ       LYS   1   7.022   0.007   9.134
   15   3HZ   LYS   1          3HZ       LYS   1   8.378  -0.833   9.696
   16    HA   PRO   2           HA       PRO   2   3.931   5.536   7.183
   17   1HB   PRO   2          2HB       PRO   2   3.172   8.082   7.318
   18   2HB   PRO   2          1HB       PRO   2   2.869   6.987   8.676
   19   1HG   PRO   2          2HG       PRO   2   5.089   8.973   8.313
   20   2HG   PRO   2          1HG       PRO   2   4.058   8.709   9.731
   21   1HD   PRO   2          2HD       PRO   2   6.565   7.659   9.479
   22   2HD   PRO   2          1HD       PRO   2   5.276   6.892  10.431
   23    H    ASP   3           H        ASP   3   6.638   5.685   6.344
   24    HA   ASP   3           HA       ASP   3   6.295   7.282   3.924
   25   1HB   ASP   3          2HB       ASP   3   8.827   7.865   4.182
   26   2HB   ASP   3          1HB       ASP   3   7.626   8.821   5.044
   27    H    CYS   4           H        CYS   4   8.100   6.760   2.316
   28    HA   CYS   4           HA       CYS   4   8.027   4.303   1.336
   29   1HB   CYS   4          2HB       CYS   4  10.263   6.278   1.398
   30   2HB   CYS   4          1HB       CYS   4  10.579   4.683   0.724
   31    HA   PRO   5           HA       PRO   5   9.944   1.582   4.273
   32   1HB   PRO   5          2HB       PRO   5   9.644  -0.698   2.954
   33   2HB   PRO   5          1HB       PRO   5   8.225   0.227   3.465
   34   1HG   PRO   5          2HG       PRO   5   9.494   0.043   0.763
   35   2HG   PRO   5          1HG       PRO   5   7.777   0.070   1.193
   36   1HD   PRO   5          2HD       PRO   5   9.273   2.267   0.339
   37   2HD   PRO   5          1HD       PRO   5   7.715   2.348   1.179
   38    H    LEU   6           H        LEU   6  11.371  -0.633   3.797
   39    HA   LEU   6           HA       LEU   6  13.661   0.135   2.129
   40   1HB   LEU   6          2HB       LEU   6  14.001  -1.095   4.854
   41   2HB   LEU   6          1HB       LEU   6  15.236  -0.407   3.818
   42    HG   LEU   6           HG       LEU   6  13.040   1.267   5.011
   43   1HD1  LEU   6          1HD1      LEU   6  14.318   1.721   6.896
   44   2HD1  LEU   6          2HD1      LEU   6  15.789   1.065   6.179
   45   3HD1  LEU   6          3HD1      LEU   6  14.501  -0.022   6.698
   46   1HD2  LEU   6          1HD2      LEU   6  14.379   2.095   3.050
   47   2HD2  LEU   6          2HD2      LEU   6  15.800   2.041   4.093
   48   3HD2  LEU   6          3HD2      LEU   6  14.451   3.104   4.495
   49    H    ILE   7           H        ILE   7  12.027  -1.523   1.017
   50    HA   ILE   7           HA       ILE   7  11.913  -3.555  -0.005
   51    HB   ILE   7           HB       ILE   7  14.463  -4.005   1.529
   52   1HG1  ILE   7          2HG1      ILE   7  14.306  -4.171  -1.421
   53   2HG1  ILE   7          1HG1      ILE   7  14.015  -2.580  -0.724
   54   1HG2  ILE   7          1HG2      ILE   7  12.813  -5.952   0.006
   55   2HG2  ILE   7          2HG2      ILE   7  13.806  -6.191   1.444
   56   3HG2  ILE   7          3HG2      ILE   7  14.568  -6.041  -0.139
   57   1HD1  ILE   7          1HD1      ILE   7  16.199  -3.020   0.582
   58   2HD1  ILE   7          2HD1      ILE   7  16.285  -2.567  -1.121
   59   3HD1  ILE   7          3HD1      ILE   7  16.483  -4.254  -0.645
   60    H    CYS   8           H        CYS   8  10.015  -4.300   0.811
   61    HA   CYS   8           HA       CYS   8   9.943  -5.499   3.451
   62   1HB   CYS   8          2HB       CYS   8   8.062  -4.156   1.866
   63   2HB   CYS   8          1HB       CYS   8   7.485  -5.809   2.025
   64    H    THR   9           H        THR   9   8.259  -6.687   0.584
   65    HA   THR   9           HA       THR   9   9.737  -9.192   0.727
   66    HB   THR   9           HB       THR   9   7.992  -9.673   2.266
   67    HG1  THR   9           1HG      THR   9   7.883 -11.468   1.193
   68   1HG2  THR   9          1HG2      THR   9   5.812  -9.077   2.146
   69   2HG2  THR   9          2HG2      THR   9   5.782  -9.102   0.383
   70   3HG2  THR   9          3HG2      THR   9   6.514  -7.741   1.233
   71    H    MET  10           H        MET  10   7.238  -7.284  -0.863
   72    HA   MET  10           HA       MET  10   6.629  -7.072  -3.038
   73   1HB   MET  10          2HB       MET  10   8.352  -6.798  -4.464
   74   2HB   MET  10          1HB       MET  10   9.353  -7.110  -3.056
   75   1HG   MET  10          2HG       MET  10   9.141  -9.596  -3.789
   76   2HG   MET  10          1HG       MET  10   8.695  -8.904  -5.346
   77   1HE   MET  10          1HE       MET  10  11.257  -8.139  -2.474
   78   2HE   MET  10          2HE       MET  10  12.779  -8.555  -3.262
   79   3HE   MET  10          3HE       MET  10  11.583  -9.810  -2.935
   80    H    GLN  11           H        GLN  11   6.511  -9.775  -1.455
   81    HA   GLN  11           HA       GLN  11   6.210 -11.671  -3.618
   82   1HB   GLN  11          2HB       GLN  11   7.082 -12.184  -1.250
   83   2HB   GLN  11          1HB       GLN  11   5.395 -12.142  -0.762
   84   1HG   GLN  11          2HG       GLN  11   5.764 -14.383  -1.143
   85   2HG   GLN  11          1HG       GLN  11   5.033 -13.848  -2.656
   86   1HE2  GLN  11          1HE2      GLN  11   6.667 -16.156  -2.256
   87   2HE2  GLN  11          2HE2      GLN  11   8.073 -15.967  -3.243
   88    H    TYR  12           H        TYR  12   3.962 -11.029  -0.933
   89    HA   TYR  12           HA       TYR  12   1.906  -9.988  -2.493
   90   1HB   TYR  12          2HB       TYR  12   2.247 -12.763  -2.852
   91   2HB   TYR  12          1HB       TYR  12   0.800 -12.546  -1.880
   92    HD1  TYR  12           1HD      TYR  12  -0.718 -13.317  -3.596
   93    HD2  TYR  12           2HD      TYR  12   1.910 -10.053  -4.344
   94    HE1  TYR  12           1HE      TYR  12  -1.994 -12.759  -5.621
   95    HE2  TYR  12           2HE      TYR  12   0.638  -9.487  -6.370
   96    HH   TYR  12           HH       TYR  12  -0.864 -10.681  -7.993
   97    H    ASP  13           H        ASP  13   1.495  -8.690  -0.854
   98    HA   ASP  13           HA       ASP  13   0.031  -9.803   1.417
   99   1HB   ASP  13          2HB       ASP  13   2.585  -8.968   1.825
  100   2HB   ASP  13          1HB       ASP  13   1.731  -7.439   2.011
  101    HA   PRO  14           HA       PRO  14  -1.684  -6.336  -1.408
  102   1HB   PRO  14          2HB       PRO  14  -4.137  -7.724  -1.434
  103   2HB   PRO  14          1HB       PRO  14  -2.952  -7.643  -2.740
  104   1HG   PRO  14          2HG       PRO  14  -3.337  -9.740  -0.656
  105   2HG   PRO  14          1HG       PRO  14  -2.876  -9.919  -2.360
  106   1HD   PRO  14          2HD       PRO  14  -1.047 -10.166  -0.453
  107   2HD   PRO  14          1HD       PRO  14  -0.660  -9.279  -1.946
  108    H    VAL  15           H        VAL  15  -1.996  -4.701  -0.034
  109    HA   VAL  15           HA       VAL  15  -4.099  -4.975   1.996
  110    HB   VAL  15           HB       VAL  15  -2.947  -3.229   3.257
  111   1HG1  VAL  15          1HG1      VAL  15  -2.085  -5.881   2.938
  112   2HG1  VAL  15          2HG1      VAL  15  -1.860  -4.834   4.339
  113   3HG1  VAL  15          3HG1      VAL  15  -0.630  -4.893   3.076
  114   1HG2  VAL  15          1HG2      VAL  15  -1.864  -2.270   1.147
  115   2HG2  VAL  15          2HG2      VAL  15  -0.598  -3.465   1.424
  116   3HG2  VAL  15          3HG2      VAL  15  -0.939  -2.240   2.645
  117    H    CYS  16           H        CYS  16  -5.680  -3.540   1.996
  118    HA   CYS  16           HA       CYS  16  -5.969  -1.858  -0.307
  119   1HB   CYS  16          2HB       CYS  16  -7.671  -3.145   1.516
  120   2HB   CYS  16          1HB       CYS  16  -7.968  -1.430   1.675
  121    H    GLY  17           H        GLY  17  -5.253   0.148  -0.446
  122   1HA   GLY  17          2HA       GLY  17  -4.620   1.563   2.044
  123   2HA   GLY  17          1HA       GLY  17  -3.892   1.883   0.481
  124    H    SER  18           H        SER  18  -5.431   3.447   2.574
  125    HA   SER  18           HA       SER  18  -7.871   4.329   1.724
  126   1HB   SER  18          2HB       SER  18  -6.584   5.062   3.798
  127   2HB   SER  18          1HB       SER  18  -5.728   6.194   2.751
  128    HG   SER  18           HG       SER  18  -8.549   6.094   3.038
  129    H    ASP  19           H        ASP  19  -8.129   4.382  -0.363
  130    HA   ASP  19           HA       ASP  19  -7.844   6.648  -1.855
  131   1HB   ASP  19          2HB       ASP  19  -5.318   5.595  -1.619
  132   2HB   ASP  19          1HB       ASP  19  -5.869   4.863  -3.122
  133    H    GLY  20           H        GLY  20  -7.931   3.198  -1.661
  134   1HA   GLY  20          2HA       GLY  20  -9.832   2.018  -2.531
  135   2HA   GLY  20          1HA       GLY  20  -9.847   3.140  -3.886
  136    H    ILE  21           H        ILE  21  -6.920   1.650  -2.587
  137    HA   ILE  21           HA       ILE  21  -6.874  -0.110  -4.947
  138    HB   ILE  21           HB       ILE  21  -4.736   1.861  -4.188
  139   1HG1  ILE  21          2HG1      ILE  21  -6.534   2.628  -5.699
  140   2HG1  ILE  21          1HG1      ILE  21  -4.967   2.590  -6.501
  141   1HG2  ILE  21          1HG2      ILE  21  -3.421  -0.005  -4.569
  142   2HG2  ILE  21          2HG2      ILE  21  -3.507   0.728  -6.171
  143   3HG2  ILE  21          3HG2      ILE  21  -4.522  -0.660  -5.781
  144   1HD1  ILE  21          1HD1      ILE  21  -6.521   1.729  -8.039
  145   2HD1  ILE  21          2HD1      ILE  21  -7.265   0.689  -6.825
  146   3HD1  ILE  21          3HD1      ILE  21  -5.641   0.335  -7.414
  147    H    THR  22           H        THR  22  -6.124  -2.085  -4.618
  148    HA   THR  22           HA       THR  22  -5.138  -2.786  -1.967
  149    HB   THR  22           HB       THR  22  -5.857  -4.529  -4.336
  150    HG1  THR  22           1HG      THR  22  -7.749  -3.844  -3.604
  151   1HG2  THR  22          1HG2      THR  22  -5.423  -5.380  -1.487
  152   2HG2  THR  22          2HG2      THR  22  -4.237  -5.584  -2.778
  153   3HG2  THR  22          3HG2      THR  22  -5.795  -6.406  -2.872
  154    H    TYR  23           H        TYR  23  -3.052  -2.154  -1.848
  155    HA   TYR  23           HA       TYR  23  -1.223  -2.494  -4.019
  156   1HB   TYR  23          2HB       TYR  23  -0.685  -1.681  -1.163
  157   2HB   TYR  23          1HB       TYR  23   0.374  -1.440  -2.546
  158    HD1  TYR  23           1HD      TYR  23  -2.616  -0.281  -0.822
  159    HD2  TYR  23           2HD      TYR  23  -0.242   0.182  -4.323
  160    HE1  TYR  23           1HE      TYR  23  -3.805   1.808  -1.342
  161    HE2  TYR  23           2HE      TYR  23  -1.417   2.281  -4.841
  162    HH   TYR  23           HH       TYR  23  -4.216   3.322  -3.020
  163    H    GLY  24           H        GLY  24   0.254  -3.963  -4.354
  164   1HA   GLY  24          2HA       GLY  24   0.138  -6.538  -3.629
  165   2HA   GLY  24          1HA       GLY  24   1.675  -5.757  -3.982
  166    H    ASN  25           H        ASN  25   1.468  -3.958  -1.745
  167    HA   ASN  25           HA       ASN  25   1.264  -5.470   0.646
  168   1HB   ASN  25          2HB       ASN  25   4.071  -4.703  -0.174
  169   2HB   ASN  25          1HB       ASN  25   3.597  -5.490   1.322
  170   1HD2  ASN  25          1HD2      ASN  25   4.910  -5.981  -1.637
  171   2HD2  ASN  25          2HD2      ASN  25   4.592  -7.669  -1.816
  172    H    ALA  26           H        ALA  26   1.399  -4.208   2.502
  173    HA   ALA  26           HA       ALA  26   0.701  -1.527   2.279
  174   1HB   ALA  26          1HB       ALA  26   0.574  -1.521   4.551
  175   2HB   ALA  26          2HB       ALA  26   2.122  -2.343   4.747
  176   3HB   ALA  26          3HB       ALA  26   0.682  -3.265   4.315
  177    H    CYS  27           H        CYS  27   3.769  -3.092   2.311
  178    HA   CYS  27           HA       CYS  27   5.340  -0.754   2.848
  179   1HB   CYS  27          2HB       CYS  27   5.866  -3.562   2.016
  180   2HB   CYS  27          1HB       CYS  27   7.104  -2.364   1.652
  181    H    MET  28           H        MET  28   4.242  -2.528   0.020
  182    HA   MET  28           HA       MET  28   5.687  -1.111  -1.924
  183   1HB   MET  28          2HB       MET  28   2.934  -2.353  -2.155
  184   2HB   MET  28          1HB       MET  28   4.012  -1.971  -3.492
  185   1HG   MET  28          2HG       MET  28   5.417  -3.623  -1.651
  186   2HG   MET  28          1HG       MET  28   3.847  -4.355  -1.977
  187   1HE   MET  28          1HE       MET  28   7.191  -4.569  -2.645
  188   2HE   MET  28          2HE       MET  28   7.321  -3.206  -3.755
  189   3HE   MET  28          3HE       MET  28   7.477  -4.856  -4.361
  190    H    LEU  29           H        LEU  29   3.041  -0.294   0.065
  191    HA   LEU  29           HA       LEU  29   2.022   1.826  -1.550
  192   1HB   LEU  29          2HB       LEU  29   1.374   0.554   0.961
  193   2HB   LEU  29          1HB       LEU  29   1.304   2.302   1.113
  194    HG   LEU  29           HG       LEU  29  -0.332   0.495  -0.604
  195   1HD1  LEU  29          1HD1      LEU  29  -0.723   2.008   1.753
  196   2HD1  LEU  29          2HD1      LEU  29  -1.886   1.007   0.881
  197   3HD1  LEU  29          3HD1      LEU  29  -1.716   2.716   0.478
  198   1HD2  LEU  29          1HD2      LEU  29  -1.158   2.852  -1.502
  199   2HD2  LEU  29          2HD2      LEU  29   0.140   1.955  -2.291
  200   3HD2  LEU  29          3HD2      LEU  29   0.524   3.266  -1.188
  201    H    LEU  30           H        LEU  30   3.931   1.689   1.437
  202    HA   LEU  30           HA       LEU  30   4.366   4.381   1.789
  203   1HB   LEU  30          2HB       LEU  30   6.273   2.087   2.263
  204   2HB   LEU  30          1HB       LEU  30   6.556   3.719   2.834
  205    HG   LEU  30           HG       LEU  30   4.023   2.346   3.607
  206   1HD1  LEU  30          1HD1      LEU  30   5.474   0.613   4.177
  207   2HD1  LEU  30          2HD1      LEU  30   5.332   1.554   5.662
  208   3HD1  LEU  30          3HD1      LEU  30   6.764   1.721   4.646
  209   1HD2  LEU  30          1HD2      LEU  30   3.840   4.206   4.802
  210   2HD2  LEU  30          2HD2      LEU  30   5.445   4.733   4.294
  211   3HD2  LEU  30          3HD2      LEU  30   5.261   3.719   5.725
  212    H    GLY  31           H        GLY  31   5.664   2.210  -0.590
  213   1HA   GLY  31          2HA       GLY  31   7.731   4.014  -1.476
  214   2HA   GLY  31          1HA       GLY  31   7.185   2.561  -2.306
  215    H    ALA  32           H        ALA  32   4.400   3.332  -2.226
  216    HA   ALA  32           HA       ALA  32   4.355   4.927  -4.618
  217   1HB   ALA  32          1HB       ALA  32   2.573   3.115  -3.250
  218   2HB   ALA  32          2HB       ALA  32   2.633   3.566  -4.954
  219   3HB   ALA  32          3HB       ALA  32   1.731   4.560  -3.808
  220    H    SER  33           H        SER  33   2.915   5.296  -1.373
  221    HA   SER  33           HA       SER  33   1.807   7.828  -1.824
  222   1HB   SER  33          2HB       SER  33   1.115   7.699   0.327
  223   2HB   SER  33          1HB       SER  33   1.703   6.041   0.216
  224    HG   SER  33           HG       SER  33   2.880   6.654   1.858
  225    H    CYS  34           H        CYS  34   5.059   6.900  -0.890
  226    HA   CYS  34           HA       CYS  34   5.745   9.660  -0.279
  227   1HB   CYS  34          2HB       CYS  34   7.175   8.687   1.115
  228   2HB   CYS  34          1HB       CYS  34   6.780   7.112   0.461
  229    H    ARG  35           H        ARG  35   6.005   7.514  -3.005
  230    HA   ARG  35           HA       ARG  35   7.783   9.484  -4.291
  231   1HB   ARG  35          2HB       ARG  35   7.460   6.533  -4.767
  232   2HB   ARG  35          1HB       ARG  35   8.254   7.587  -5.928
  233   1HG   ARG  35          2HG       ARG  35  10.026   8.042  -4.499
  234   2HG   ARG  35          1HG       ARG  35   9.130   7.527  -3.068
  235   1HD   ARG  35          2HD       ARG  35   9.957   5.481  -3.263
  236   2HD   ARG  35          1HD       ARG  35   9.281   5.339  -4.884
  237    HE   ARG  35           HE       ARG  35  11.449   6.661  -5.478
  238   1HH1  ARG  35          1HH1      ARG  35  11.126   4.078  -3.150
  239   2HH1  ARG  35          2HH1      ARG  35  12.770   3.562  -3.312
  240   1HH2  ARG  35          1HH2      ARG  35  13.607   5.978  -5.694
  241   2HH2  ARG  35          2HH2      ARG  35  14.177   4.636  -4.761
  242    H    SER  36           H        SER  36   4.646   8.983  -4.107
  243    HA   SER  36           HA       SER  36   4.112   9.159  -6.977
  244   1HB   SER  36          2HB       SER  36   2.845   7.499  -5.693
  245   2HB   SER  36          1HB       SER  36   2.197   8.772  -4.668
  246    HG   SER  36           HG       SER  36   1.697   8.277  -7.402
  247    H    ASP  37           H        ASP  37   1.865  10.541  -4.708
  248    HA   ASP  37           HA       ASP  37   2.806  13.233  -4.971
  249   1HB   ASP  37          2HB       ASP  37   1.865  13.079  -7.169
  250   2HB   ASP  37          1HB       ASP  37   0.401  12.319  -6.554
  251    H    THR  38           H        THR  38   0.133  11.066  -4.207
  252    HA   THR  38           HA       THR  38  -0.665  12.886  -2.037
  253    HB   THR  38           HB       THR  38  -2.689  11.071  -2.174
  254    HG1  THR  38           1HG      THR  38  -2.554  10.066  -3.996
  255   1HG2  THR  38          1HG2      THR  38  -3.036  13.169  -4.165
  256   2HG2  THR  38          2HG2      THR  38  -2.464  13.751  -2.603
  257   3HG2  THR  38          3HG2      THR  38  -3.958  12.821  -2.703
  258    HA   PRO  39           HA       PRO  39   1.000   9.853   0.736
  259   1HB   PRO  39          2HB       PRO  39   0.066  10.905   3.042
  260   2HB   PRO  39          1HB       PRO  39   1.402  11.630   2.140
  261   1HG   PRO  39          2HG       PRO  39  -1.489  12.406   2.195
  262   2HG   PRO  39          1HG       PRO  39  -0.051  13.443   2.236
  263   1HD   PRO  39          2HD       PRO  39  -1.502  13.006  -0.023
  264   2HD   PRO  39          1HD       PRO  39   0.241  13.341  -0.041
  265    H    ILE  40           H        ILE  40  -0.672   8.382  -0.359
  266    HA   ILE  40           HA       ILE  40  -3.214   7.915   0.595
  267    HB   ILE  40           HB       ILE  40  -3.012   5.672  -0.251
  268   1HG1  ILE  40          2HG1      ILE  40  -0.300   5.953   0.590
  269   2HG1  ILE  40          1HG1      ILE  40  -1.125   4.502   0.034
  270   1HG2  ILE  40          1HG2      ILE  40  -3.290   7.233  -1.979
  271   2HG2  ILE  40          2HG2      ILE  40  -1.975   6.190  -2.520
  272   3HG2  ILE  40          3HG2      ILE  40  -1.619   7.786  -1.861
  273   1HD1  ILE  40          1HD1      ILE  40  -0.454   4.888  -2.209
  274   2HD1  ILE  40          2HD1      ILE  40   0.972   5.068  -1.187
  275   3HD1  ILE  40          3HD1      ILE  40   0.152   6.496  -1.815
  276    H    GLU  41           H        GLU  41  -3.854   5.863   1.868
  277    HA   GLU  41           HA       GLU  41  -2.036   5.480   4.155
  278   1HB   GLU  41          2HB       GLU  41  -5.002   5.832   4.520
  279   2HB   GLU  41          1HB       GLU  41  -3.752   5.819   5.754
  280   1HG   GLU  41          2HG       GLU  41  -2.968   7.895   4.163
  281   2HG   GLU  41          1HG       GLU  41  -4.726   8.007   4.091
  282    H    LEU  42           H        LEU  42  -3.301   3.760   5.701
  283    HA   LEU  42           HA       LEU  42  -4.058   1.519   3.944
  284   1HB   LEU  42          2HB       LEU  42  -1.851   1.688   5.718
  285   2HB   LEU  42          1HB       LEU  42  -2.999   0.564   6.422
  286    HG   LEU  42           HG       LEU  42  -1.329  -0.577   5.019
  287   1HD1  LEU  42          1HD1      LEU  42  -4.156  -0.823   4.871
  288   2HD1  LEU  42          2HD1      LEU  42  -2.925  -2.077   4.728
  289   3HD1  LEU  42          3HD1      LEU  42  -3.472  -1.208   3.293
  290   1HD2  LEU  42          1HD2      LEU  42  -2.496   0.353   2.500
  291   2HD2  LEU  42          2HD2      LEU  42  -0.814   0.028   2.920
  292   3HD2  LEU  42          3HD2      LEU  42  -1.553   1.569   3.359
  293    H    VAL  43           H        VAL  43  -5.906   0.492   4.425
  294    HA   VAL  43           HA       VAL  43  -7.231   1.209   6.958
  295    HB   VAL  43           HB       VAL  43  -8.745   0.350   4.514
  296   1HG1  VAL  43          1HG1      VAL  43 -10.542   1.642   5.578
  297   2HG1  VAL  43          2HG1      VAL  43  -9.457   2.038   6.911
  298   3HG1  VAL  43          3HG1      VAL  43  -9.936   0.364   6.631
  299   1HG2  VAL  43          1HG2      VAL  43  -9.058   2.707   3.923
  300   2HG2  VAL  43          2HG2      VAL  43  -7.364   2.229   3.807
  301   3HG2  VAL  43          3HG2      VAL  43  -7.922   3.173   5.188
  302    H    HIS  44           H        HIS  44  -6.665  -1.347   4.598
  303    HA   HIS  44           HA       HIS  44  -7.066  -3.325   6.702
  304   1HB   HIS  44          2HB       HIS  44  -8.273  -4.304   4.263
  305   2HB   HIS  44          1HB       HIS  44  -8.949  -4.227   5.887
  306    HD1  HIS  44           1HD      HIS  44 -10.087  -1.863   6.526
  307    HD2  HIS  44           2HD      HIS  44  -9.355  -2.529   2.493
  308    HE1  HIS  44           1HE      HIS  44 -11.499  -0.185   5.300
  309    HE2  HIS  44           2HE      HIS  44 -11.019  -0.585   2.860
  310    H    LYS  45           H        LYS  45  -5.929  -5.261   6.365
  311    HA   LYS  45           HA       LYS  45  -3.833  -5.040   4.340
  312   1HB   LYS  45          2HB       LYS  45  -3.164  -7.253   5.766
  313   2HB   LYS  45          1HB       LYS  45  -2.641  -5.623   6.161
  314   1HG   LYS  45          2HG       LYS  45  -4.403  -5.394   7.780
  315   2HG   LYS  45          1HG       LYS  45  -5.086  -6.952   7.310
  316   1HD   LYS  45          2HD       LYS  45  -2.404  -7.468   7.910
  317   2HD   LYS  45          1HD       LYS  45  -2.962  -6.367   9.172
  318   1HE   LYS  45          2HE       LYS  45  -4.049  -8.027  10.167
  319   2HE   LYS  45          1HE       LYS  45  -4.988  -8.313   8.702
  320   1HZ   LYS  45          1HZ       LYS  45  -3.319  -9.803   7.905
  321   2HZ   LYS  45          2HZ       LYS  45  -3.729 -10.273   9.477
  322   3HZ   LYS  45          3HZ       LYS  45  -2.285  -9.438   9.194
  323    H    GLY  46           H        GLY  46  -5.935  -5.559   2.937
  324   1HA   GLY  46          2HA       GLY  46  -5.453  -8.106   1.797
  325   2HA   GLY  46          1HA       GLY  46  -6.929  -8.149   2.750
  326    H    ARG  47           H        ARG  47  -8.124  -8.559   0.842
  327    HA   ARG  47           HA       ARG  47  -8.160  -6.529  -1.229
  328   1HB   ARG  47          2HB       ARG  47 -10.277  -8.543  -1.320
  329   2HB   ARG  47          1HB       ARG  47  -9.080  -8.114  -2.534
  330   1HG   ARG  47          2HG       ARG  47  -7.410  -9.453  -1.247
  331   2HG   ARG  47          1HG       ARG  47  -8.736 -10.002  -0.219
  332   1HD   ARG  47          2HD       ARG  47  -8.795 -10.302  -3.209
  333   2HD   ARG  47          1HD       ARG  47  -8.051 -11.509  -2.163
  334    HE   ARG  47           HE       ARG  47 -10.548 -11.147  -1.119
  335   1HH1  ARG  47          1HH1      ARG  47  -9.279 -12.006  -4.246
  336   2HH1  ARG  47          2HH1      ARG  47 -10.654 -12.962  -4.687
  337   1HH2  ARG  47          1HH2      ARG  47 -12.366 -12.407  -1.690
  338   2HH2  ARG  47          2HH2      ARG  47 -12.409 -13.188  -3.235
  339    H    CYS  48           H        CYS  48  -8.794  -5.149   0.867
  340    HA   CYS  48           HA       CYS  48 -10.388  -3.985   2.031
  341   1HB   CYS  48          2HB       CYS  48 -11.054  -3.966  -0.840
  342   2HB   CYS  48          1HB       CYS  48 -12.343  -3.428   0.232
  Start of MODEL   13
    1   1H    LYS   1          1HT       LYS   1   5.026   5.874   6.431
    2   2H    LYS   1          2HT       LYS   1   5.786   6.669   7.748
    3   3H    LYS   1          3HT       LYS   1   6.152   5.028   7.406
    4    HA   LYS   1           HA       LYS   1   7.426   7.288   6.507
    5   1HB   LYS   1          2HB       LYS   1   7.603   4.365   5.743
    6   2HB   LYS   1          1HB       LYS   1   8.828   5.568   5.367
    7   1HG   LYS   1          2HG       LYS   1   8.176   5.576   8.181
    8   2HG   LYS   1          1HG       LYS   1   8.687   3.977   7.634
    9   1HD   LYS   1          2HD       LYS   1  10.805   4.643   7.610
   10   2HD   LYS   1          1HD       LYS   1  10.405   5.925   6.465
   11   1HE   LYS   1          2HE       LYS   1   9.862   6.260   9.391
   12   2HE   LYS   1          1HE       LYS   1  11.473   6.548   8.739
   13   1HZ   LYS   1          1HZ       LYS   1  10.803   8.399   7.647
   14   2HZ   LYS   1          2HZ       LYS   1   9.666   8.444   8.898
   15   3HZ   LYS   1          3HZ       LYS   1   9.231   7.833   7.382
   16    HA   PRO   2           HA       PRO   2   5.037   7.709   2.676
   17   1HB   PRO   2          2HB       PRO   2   5.281  10.342   2.418
   18   2HB   PRO   2          1HB       PRO   2   4.249   9.668   3.688
   19   1HG   PRO   2          2HG       PRO   2   7.058  10.701   3.886
   20   2HG   PRO   2          1HG       PRO   2   5.676  11.028   4.947
   21   1HD   PRO   2          2HD       PRO   2   7.613   9.161   5.487
   22   2HD   PRO   2          1HD       PRO   2   5.952   9.069   6.106
   23    H    ASP   3           H        ASP   3   7.736   6.793   2.750
   24    HA   ASP   3           HA       ASP   3   8.819   8.176   0.387
   25   1HB   ASP   3          2HB       ASP   3  11.088   7.665   1.180
   26   2HB   ASP   3          1HB       ASP   3  10.218   8.665   2.340
   27    H    CYS   4           H        CYS   4   9.870   6.879  -1.165
   28    HA   CYS   4           HA       CYS   4   8.794   4.211  -1.361
   29   1HB   CYS   4          2HB       CYS   4  10.639   5.753  -3.202
   30   2HB   CYS   4          1HB       CYS   4   9.911   4.196  -3.580
   31    HA   PRO   5           HA       PRO   5  12.520   2.360   0.240
   32   1HB   PRO   5          2HB       PRO   5  11.531  -0.095   0.580
   33   2HB   PRO   5          1HB       PRO   5  10.984   1.257   1.579
   34   1HG   PRO   5          2HG       PRO   5   9.616  -0.101  -0.683
   35   2HG   PRO   5          1HG       PRO   5   8.924   0.649   0.765
   36   1HD   PRO   5          2HD       PRO   5   9.121   1.793  -1.817
   37   2HD   PRO   5          1HD       PRO   5   8.644   2.617  -0.321
   38    H    LEU   6           H        LEU   6  13.807   0.339  -0.240
   39    HA   LEU   6           HA       LEU   6  13.870  -0.136  -3.140
   40   1HB   LEU   6          2HB       LEU   6  16.266  -0.908  -2.603
   41   2HB   LEU   6          1HB       LEU   6  15.927   0.812  -2.603
   42    HG   LEU   6           HG       LEU   6  15.651  -0.506   0.019
   43   1HD1  LEU   6          1HD1      LEU   6  18.118  -0.479   0.370
   44   2HD1  LEU   6          2HD1      LEU   6  18.314  -0.289  -1.371
   45   3HD1  LEU   6          3HD1      LEU   6  17.557  -1.743  -0.723
   46   1HD2  LEU   6          1HD2      LEU   6  17.118   1.965  -0.897
   47   2HD2  LEU   6          2HD2      LEU   6  16.750   1.516   0.768
   48   3HD2  LEU   6          3HD2      LEU   6  15.443   1.924  -0.346
   49    H    ILE   7           H        ILE   7  12.158  -1.690  -2.700
   50    HA   ILE   7           HA       ILE   7  11.468  -3.863  -2.739
   51    HB   ILE   7           HB       ILE   7  14.378  -4.444  -2.215
   52   1HG1  ILE   7          2HG1      ILE   7  14.036  -5.551  -4.533
   53   2HG1  ILE   7          1HG1      ILE   7  12.562  -4.590  -4.607
   54   1HG2  ILE   7          1HG2      ILE   7  13.619  -6.843  -2.808
   55   2HG2  ILE   7          2HG2      ILE   7  12.025  -6.287  -2.294
   56   3HG2  ILE   7          3HG2      ILE   7  13.378  -6.251  -1.164
   57   1HD1  ILE   7          1HD1      ILE   7  13.680  -2.718  -5.065
   58   2HD1  ILE   7          2HD1      ILE   7  15.026  -3.790  -5.453
   59   3HD1  ILE   7          3HD1      ILE   7  14.919  -3.050  -3.857
   60    H    CYS   8           H        CYS   8  10.527  -5.198  -1.197
   61    HA   CYS   8           HA       CYS   8  11.452  -4.826   1.545
   62   1HB   CYS   8          2HB       CYS   8   9.171  -3.636   0.499
   63   2HB   CYS   8          1HB       CYS   8   8.589  -4.933   1.511
   64    H    THR   9           H        THR   9   8.439  -6.517   1.038
   65    HA   THR   9           HA       THR   9   9.514  -9.093   0.679
   66    HB   THR   9           HB       THR   9  10.373  -8.519   2.977
   67    HG1  THR   9           1HG      THR   9  10.128 -10.555   3.563
   68   1HG2  THR   9          1HG2      THR   9   8.970  -7.556   4.394
   69   2HG2  THR   9          2HG2      THR   9   8.201  -9.135   4.559
   70   3HG2  THR   9          3HG2      THR   9   7.573  -7.963   3.399
   71    H    MET  10           H        MET  10   7.526 -10.194   2.708
   72    HA   MET  10           HA       MET  10   5.491 -11.182   2.342
   73   1HB   MET  10          2HB       MET  10   5.290  -8.601   3.389
   74   2HB   MET  10          1HB       MET  10   4.008  -8.714   2.189
   75   1HG   MET  10          2HG       MET  10   2.889 -10.340   3.340
   76   2HG   MET  10          1HG       MET  10   4.347 -10.938   4.128
   77   1HE   MET  10          1HE       MET  10   4.467  -7.025   4.756
   78   2HE   MET  10          2HE       MET  10   2.767  -6.799   5.166
   79   3HE   MET  10          3HE       MET  10   3.217  -7.442   3.586
   80    H    GLN  11           H        GLN  11   6.933 -10.808   0.050
   81    HA   GLN  11           HA       GLN  11   6.587  -9.964  -2.229
   82   1HB   GLN  11          2HB       GLN  11   7.261 -12.235  -2.134
   83   2HB   GLN  11          1HB       GLN  11   5.659 -12.760  -1.634
   84   1HG   GLN  11          2HG       GLN  11   5.481 -11.387  -4.138
   85   2HG   GLN  11          1HG       GLN  11   6.709 -12.649  -4.232
   86   1HE2  GLN  11          1HE2      GLN  11   4.232 -12.610  -5.625
   87   2HE2  GLN  11          2HE2      GLN  11   3.314 -13.973  -5.092
   88    H    TYR  12           H        TYR  12   3.727 -11.814  -1.229
   89    HA   TYR  12           HA       TYR  12   2.108  -9.837  -2.688
   90   1HB   TYR  12          2HB       TYR  12   2.279 -12.636  -3.142
   91   2HB   TYR  12          1HB       TYR  12   0.680 -12.277  -2.493
   92    HD1  TYR  12           1HD      TYR  12   1.655 -13.157  -5.384
   93    HD2  TYR  12           2HD      TYR  12   0.428  -9.478  -3.634
   94    HE1  TYR  12           1HE      TYR  12   0.936 -12.351  -7.593
   95    HE2  TYR  12           2HE      TYR  12  -0.298  -8.662  -5.837
   96    HH   TYR  12           HH       TYR  12   0.573 -10.165  -8.727
   97    H    ASP  13           H        ASP  13   1.812  -8.670  -0.801
   98    HA   ASP  13           HA       ASP  13  -0.130  -9.848   1.068
   99   1HB   ASP  13          2HB       ASP  13   2.264  -9.259   1.958
  100   2HB   ASP  13          1HB       ASP  13   1.689  -7.597   1.881
  101    HA   PRO  14           HA       PRO  14  -1.683  -6.308  -1.635
  102   1HB   PRO  14          2HB       PRO  14  -4.203  -7.551  -1.684
  103   2HB   PRO  14          1HB       PRO  14  -2.996  -7.573  -2.973
  104   1HG   PRO  14          2HG       PRO  14  -3.550  -9.601  -0.855
  105   2HG   PRO  14          1HG       PRO  14  -3.080  -9.842  -2.548
  106   1HD   PRO  14          2HD       PRO  14  -1.304 -10.166  -0.591
  107   2HD   PRO  14          1HD       PRO  14  -0.832  -9.375  -2.113
  108    H    VAL  15           H        VAL  15  -1.818  -4.705  -0.191
  109    HA   VAL  15           HA       VAL  15  -3.997  -4.810   1.777
  110    HB   VAL  15           HB       VAL  15  -2.665  -3.203   3.091
  111   1HG1  VAL  15          1HG1      VAL  15  -0.638  -5.231   2.952
  112   2HG1  VAL  15          2HG1      VAL  15  -2.242  -5.951   2.818
  113   3HG1  VAL  15          3HG1      VAL  15  -1.842  -4.940   4.207
  114   1HG2  VAL  15          1HG2      VAL  15  -0.744  -3.563   0.835
  115   2HG2  VAL  15          2HG2      VAL  15  -0.165  -3.132   2.444
  116   3HG2  VAL  15          3HG2      VAL  15  -1.297  -2.075   1.602
  117    H    CYS  16           H        CYS  16  -5.571  -3.476   1.397
  118    HA   CYS  16           HA       CYS  16  -5.374  -1.498  -0.669
  119   1HB   CYS  16          2HB       CYS  16  -7.431  -2.930   0.668
  120   2HB   CYS  16          1HB       CYS  16  -7.744  -1.220   0.833
  121    H    GLY  17           H        GLY  17  -4.929   0.616  -0.424
  122   1HA   GLY  17          2HA       GLY  17  -4.742   1.572   2.347
  123   2HA   GLY  17          1HA       GLY  17  -3.742   2.148   1.029
  124    H    SER  18           H        SER  18  -5.486   3.471   2.991
  125    HA   SER  18           HA       SER  18  -7.823   4.496   1.984
  126   1HB   SER  18          2HB       SER  18  -6.406   4.943   4.238
  127   2HB   SER  18          1HB       SER  18  -6.039   6.428   3.361
  128    HG   SER  18           HG       SER  18  -7.983   7.095   3.764
  129    H    ASP  19           H        ASP  19  -7.828   4.852  -0.087
  130    HA   ASP  19           HA       ASP  19  -7.324   7.302  -1.187
  131   1HB   ASP  19          2HB       ASP  19  -5.281   7.274  -2.265
  132   2HB   ASP  19          1HB       ASP  19  -4.869   6.346  -0.831
  133    H    GLY  20           H        GLY  20  -7.583   3.869  -1.525
  134   1HA   GLY  20          2HA       GLY  20  -9.445   2.967  -2.761
  135   2HA   GLY  20          1HA       GLY  20  -9.208   4.247  -3.945
  136    H    ILE  21           H        ILE  21  -6.559   2.442  -2.497
  137    HA   ILE  21           HA       ILE  21  -6.247   1.017  -5.063
  138    HB   ILE  21           HB       ILE  21  -4.082   2.501  -3.592
  139   1HG1  ILE  21          2HG1      ILE  21  -5.710   3.784  -5.082
  140   2HG1  ILE  21          1HG1      ILE  21  -3.997   3.969  -5.442
  141   1HG2  ILE  21          1HG2      ILE  21  -3.977   0.318  -5.548
  142   2HG2  ILE  21          2HG2      ILE  21  -2.770   0.861  -4.383
  143   3HG2  ILE  21          3HG2      ILE  21  -2.950   1.703  -5.921
  144   1HD1  ILE  21          1HD1      ILE  21  -6.138   2.683  -7.013
  145   2HD1  ILE  21          2HD1      ILE  21  -4.536   1.950  -7.085
  146   3HD1  ILE  21          3HD1      ILE  21  -4.755   3.640  -7.540
  147    H    THR  22           H        THR  22  -5.340  -0.977  -5.024
  148    HA   THR  22           HA       THR  22  -4.951  -2.194  -2.375
  149    HB   THR  22           HB       THR  22  -5.510  -3.484  -5.058
  150    HG1  THR  22           1HG      THR  22  -7.533  -3.488  -4.475
  151   1HG2  THR  22          1HG2      THR  22  -5.984  -5.512  -3.657
  152   2HG2  THR  22          2HG2      THR  22  -5.153  -4.692  -2.335
  153   3HG2  THR  22          3HG2      THR  22  -4.284  -5.074  -3.821
  154    H    TYR  23           H        TYR  23  -2.836  -1.814  -1.923
  155    HA   TYR  23           HA       TYR  23  -0.797  -2.056  -3.927
  156   1HB   TYR  23          2HB       TYR  23  -0.445  -1.697  -0.949
  157   2HB   TYR  23          1HB       TYR  23   0.688  -1.282  -2.228
  158    HD1  TYR  23           1HD      TYR  23  -2.423  -0.325  -0.551
  159    HD2  TYR  23           2HD      TYR  23   0.334   0.686  -3.629
  160    HE1  TYR  23           1HE      TYR  23  -3.485   1.882  -0.767
  161    HE2  TYR  23           2HE      TYR  23  -0.710   2.904  -3.841
  162    HH   TYR  23           HH       TYR  23  -3.181   3.995  -1.610
  163    H    GLY  24           H        GLY  24   0.749  -3.565  -4.133
  164   1HA   GLY  24          2HA       GLY  24   0.136  -6.228  -3.523
  165   2HA   GLY  24          1HA       GLY  24   1.706  -5.653  -4.062
  166    H    ASN  25           H        ASN  25   1.416  -3.842  -1.511
  167    HA   ASN  25           HA       ASN  25   1.520  -5.441   0.740
  168   1HB   ASN  25          2HB       ASN  25   3.472  -6.464  -0.409
  169   2HB   ASN  25          1HB       ASN  25   4.258  -4.894  -0.400
  170   1HD2  ASN  25          1HD2      ASN  25   5.120  -7.410   0.768
  171   2HD2  ASN  25          2HD2      ASN  25   5.352  -7.090   2.447
  172    H    ALA  26           H        ALA  26   2.014  -4.289   2.616
  173    HA   ALA  26           HA       ALA  26   1.433  -1.584   2.621
  174   1HB   ALA  26          1HB       ALA  26   1.242  -2.297   4.751
  175   2HB   ALA  26          2HB       ALA  26   2.930  -1.802   4.880
  176   3HB   ALA  26          3HB       ALA  26   2.527  -3.491   4.573
  177    H    CYS  27           H        CYS  27   4.447  -3.250   2.153
  178    HA   CYS  27           HA       CYS  27   6.107  -0.919   2.407
  179   1HB   CYS  27          2HB       CYS  27   6.485  -3.757   1.628
  180   2HB   CYS  27          1HB       CYS  27   7.660  -2.597   1.023
  181    H    MET  28           H        MET  28   4.605  -2.728  -0.217
  182    HA   MET  28           HA       MET  28   5.840  -1.278  -2.310
  183   1HB   MET  28          2HB       MET  28   3.235  -2.810  -2.175
  184   2HB   MET  28          1HB       MET  28   3.886  -2.127  -3.662
  185   1HG   MET  28          2HG       MET  28   6.025  -3.496  -2.959
  186   2HG   MET  28          1HG       MET  28   4.849  -4.436  -2.050
  187   1HE   MET  28          1HE       MET  28   6.791  -4.099  -4.896
  188   2HE   MET  28          2HE       MET  28   5.657  -3.311  -5.992
  189   3HE   MET  28          3HE       MET  28   6.048  -5.017  -6.207
  190    H    LEU  29           H        LEU  29   3.509  -0.559   0.031
  191    HA   LEU  29           HA       LEU  29   2.059   1.455  -1.323
  192   1HB   LEU  29          2HB       LEU  29   2.020   0.177   1.203
  193   2HB   LEU  29          1HB       LEU  29   2.134   1.907   1.487
  194    HG   LEU  29           HG       LEU  29   0.012   0.423  -0.016
  195   1HD1  LEU  29          1HD1      LEU  29  -0.633   2.440   2.012
  196   2HD1  LEU  29          2HD1      LEU  29   0.189   1.001   2.613
  197   3HD1  LEU  29          3HD1      LEU  29  -1.331   0.846   1.730
  198   1HD2  LEU  29          1HD2      LEU  29  -0.943   2.759  -0.345
  199   2HD2  LEU  29          2HD2      LEU  29   0.414   2.301  -1.371
  200   3HD2  LEU  29          3HD2      LEU  29   0.674   3.344   0.020
  201    H    LEU  30           H        LEU  30   4.629   1.602   1.150
  202    HA   LEU  30           HA       LEU  30   4.959   4.344   1.211
  203   1HB   LEU  30          2HB       LEU  30   7.572   3.124   1.143
  204   2HB   LEU  30          1HB       LEU  30   6.751   3.913   2.472
  205    HG   LEU  30           HG       LEU  30   6.301   1.039   1.719
  206   1HD1  LEU  30          1HD1      LEU  30   7.762   1.529   4.171
  207   2HD1  LEU  30          2HD1      LEU  30   8.631   2.095   2.745
  208   3HD1  LEU  30          3HD1      LEU  30   8.110   0.414   2.850
  209   1HD2  LEU  30          1HD2      LEU  30   5.353   2.847   3.885
  210   2HD2  LEU  30          2HD2      LEU  30   5.612   1.142   4.255
  211   3HD2  LEU  30          3HD2      LEU  30   4.477   1.607   2.989
  212    H    GLY  31           H        GLY  31   5.891   2.027  -1.215
  213   1HA   GLY  31          2HA       GLY  31   7.555   3.805  -2.727
  214   2HA   GLY  31          1HA       GLY  31   6.856   2.292  -3.299
  215    H    ALA  32           H        ALA  32   4.166   3.057  -2.575
  216    HA   ALA  32           HA       ALA  32   3.480   4.504  -4.971
  217   1HB   ALA  32          1HB       ALA  32   2.235   2.600  -3.306
  218   2HB   ALA  32          2HB       ALA  32   1.649   3.266  -4.830
  219   3HB   ALA  32          3HB       ALA  32   1.220   4.042  -3.305
  220    H    SER  33           H        SER  33   2.782   4.943  -1.500
  221    HA   SER  33           HA       SER  33   1.511   7.366  -1.561
  222   1HB   SER  33          2HB       SER  33   2.360   5.739   0.419
  223   2HB   SER  33          1HB       SER  33   3.542   7.037   0.581
  224    HG   SER  33           HG       SER  33   1.274   8.250   0.307
  225    H    CYS  34           H        CYS  34   4.955   6.694  -1.725
  226    HA   CYS  34           HA       CYS  34   5.668   9.489  -1.682
  227   1HB   CYS  34          2HB       CYS  34   7.575   8.596  -0.948
  228   2HB   CYS  34          1HB       CYS  34   7.022   6.984  -1.366
  229    H    ARG  35           H        ARG  35   5.071   7.071  -4.140
  230    HA   ARG  35           HA       ARG  35   6.245   8.688  -6.234
  231   1HB   ARG  35          2HB       ARG  35   5.926   6.896  -7.651
  232   2HB   ARG  35          1HB       ARG  35   6.111   6.094  -6.098
  233   1HG   ARG  35          2HG       ARG  35   3.595   6.074  -5.944
  234   2HG   ARG  35          1HG       ARG  35   3.576   6.597  -7.630
  235   1HD   ARG  35          2HD       ARG  35   4.661   4.036  -6.487
  236   2HD   ARG  35          1HD       ARG  35   3.362   4.239  -7.664
  237    HE   ARG  35           HE       ARG  35   5.529   5.330  -8.886
  238   1HH1  ARG  35          1HH1      ARG  35   4.860   2.239  -7.431
  239   2HH1  ARG  35          2HH1      ARG  35   5.966   1.377  -8.449
  240   1HH2  ARG  35          1HH2      ARG  35   6.983   4.206 -10.230
  241   2HH2  ARG  35          2HH2      ARG  35   7.174   2.496 -10.038
  242    H    SER  36           H        SER  36   3.166   8.422  -4.740
  243    HA   SER  36           HA       SER  36   1.691   9.388  -7.021
  244   1HB   SER  36          2HB       SER  36   0.585   7.884  -5.469
  245   2HB   SER  36          1HB       SER  36   0.880   8.993  -4.132
  246    HG   SER  36           HG       SER  36  -0.413  10.151  -6.253
  247    H    ASP  37           H        ASP  37   1.038  10.821  -3.926
  248    HA   ASP  37           HA       ASP  37   2.489  13.186  -4.105
  249   1HB   ASP  37          2HB       ASP  37   0.659  14.726  -4.885
  250   2HB   ASP  37          1HB       ASP  37   1.334  13.692  -6.142
  251    H    THR  38           H        THR  38  -0.463  11.567  -3.166
  252    HA   THR  38           HA       THR  38  -0.583  13.233  -0.742
  253    HB   THR  38           HB       THR  38  -2.927  11.649  -0.972
  254    HG1  THR  38           1HG      THR  38  -2.362  11.521  -3.215
  255   1HG2  THR  38          1HG2      THR  38  -3.667  13.566  -0.161
  256   2HG2  THR  38          2HG2      THR  38  -3.583  14.221  -1.797
  257   3HG2  THR  38          3HG2      THR  38  -2.220  14.419  -0.697
  258    HA   PRO  39           HA       PRO  39   1.032   9.703   1.423
  259   1HB   PRO  39          2HB       PRO  39  -0.155  11.081   3.765
  260   2HB   PRO  39          1HB       PRO  39   1.508  10.551   3.490
  261   1HG   PRO  39          2HG       PRO  39   0.851  13.135   3.370
  262   2HG   PRO  39          1HG       PRO  39   2.048  12.438   2.262
  263   1HD   PRO  39          2HD       PRO  39  -0.811  13.154   1.761
  264   2HD   PRO  39          1HD       PRO  39   0.601  13.341   0.701
  265    H    ILE  40           H        ILE  40  -0.555   8.208   0.545
  266    HA   ILE  40           HA       ILE  40  -3.153   7.954   1.646
  267    HB   ILE  40           HB       ILE  40  -3.407   6.056   0.346
  268   1HG1  ILE  40          2HG1      ILE  40  -1.456   4.836   1.430
  269   2HG1  ILE  40          1HG1      ILE  40  -1.726   4.487  -0.272
  270   1HG2  ILE  40          1HG2      ILE  40  -3.084   7.107  -1.573
  271   2HG2  ILE  40          2HG2      ILE  40  -1.359   6.744  -1.507
  272   3HG2  ILE  40          3HG2      ILE  40  -1.979   8.218  -0.762
  273   1HD1  ILE  40          1HD1      ILE  40   0.056   6.655  -0.166
  274   2HD1  ILE  40          2HD1      ILE  40   0.377   5.004  -0.678
  275   3HD1  ILE  40          3HD1      ILE  40   0.616   5.466   1.008
  276    H    GLU  41           H        GLU  41  -3.755   5.675   2.679
  277    HA   GLU  41           HA       GLU  41  -1.705   4.946   4.663
  278   1HB   GLU  41          2HB       GLU  41  -4.563   5.531   5.440
  279   2HB   GLU  41          1HB       GLU  41  -3.225   5.143   6.512
  280   1HG   GLU  41          2HG       GLU  41  -2.117   7.256   5.691
  281   2HG   GLU  41          1HG       GLU  41  -3.658   7.658   4.933
  282    H    LEU  42           H        LEU  42  -2.847   3.110   6.159
  283    HA   LEU  42           HA       LEU  42  -3.719   1.078   4.226
  284   1HB   LEU  42          2HB       LEU  42  -1.876   1.026   6.376
  285   2HB   LEU  42          1HB       LEU  42  -3.216  -0.011   6.826
  286    HG   LEU  42           HG       LEU  42  -1.332  -1.193   5.686
  287   1HD1  LEU  42          1HD1      LEU  42  -3.528  -1.570   3.794
  288   2HD1  LEU  42          2HD1      LEU  42  -4.014  -1.605   5.489
  289   3HD1  LEU  42          3HD1      LEU  42  -2.773  -2.713   4.904
  290   1HD2  LEU  42          1HD2      LEU  42  -0.438  -0.282   3.875
  291   2HD2  LEU  42          2HD2      LEU  42  -1.723   0.924   3.794
  292   3HD2  LEU  42          3HD2      LEU  42  -1.931  -0.641   3.007
  293    H    VAL  43           H        VAL  43  -5.639  -0.022   4.449
  294    HA   VAL  43           HA       VAL  43  -7.289   0.655   6.781
  295    HB   VAL  43           HB       VAL  43  -7.980   2.141   4.987
  296   1HG1  VAL  43          1HG1      VAL  43  -9.013   1.165   2.931
  297   2HG1  VAL  43          2HG1      VAL  43  -8.347  -0.395   3.412
  298   3HG1  VAL  43          3HG1      VAL  43  -7.266   0.950   3.053
  299   1HG2  VAL  43          1HG2      VAL  43  -9.755   1.565   6.397
  300   2HG2  VAL  43          2HG2      VAL  43  -9.868  -0.066   5.735
  301   3HG2  VAL  43          3HG2      VAL  43 -10.387   1.316   4.770
  302    H    HIS  44           H        HIS  44  -6.898  -1.450   3.959
  303    HA   HIS  44           HA       HIS  44  -8.093  -3.630   5.541
  304   1HB   HIS  44          2HB       HIS  44  -8.250  -3.720   2.566
  305   2HB   HIS  44          1HB       HIS  44  -9.351  -4.384   3.768
  306    HD1  HIS  44           1HD      HIS  44 -10.418  -2.128   5.267
  307    HD2  HIS  44           2HD      HIS  44  -9.507  -1.760   1.238
  308    HE1  HIS  44           1HE      HIS  44 -11.756  -0.165   4.453
  309    HE2  HIS  44           2HE      HIS  44 -11.146   0.078   2.023
  310    H    LYS  45           H        LYS  45  -6.816  -5.332   5.838
  311    HA   LYS  45           HA       LYS  45  -4.242  -5.424   4.509
  312   1HB   LYS  45          2HB       LYS  45  -5.453  -7.088   6.721
  313   2HB   LYS  45          1HB       LYS  45  -3.842  -7.360   6.071
  314   1HG   LYS  45          2HG       LYS  45  -4.285  -4.596   6.849
  315   2HG   LYS  45          1HG       LYS  45  -4.487  -5.729   8.186
  316   1HD   LYS  45          2HD       LYS  45  -2.232  -6.699   7.061
  317   2HD   LYS  45          1HD       LYS  45  -2.067  -4.986   6.674
  318   1HE   LYS  45          2HE       LYS  45  -1.775  -4.386   8.836
  319   2HE   LYS  45          1HE       LYS  45  -2.884  -5.618   9.438
  320   1HZ   LYS  45          1HZ       LYS  45  -1.210  -7.268   9.242
  321   2HZ   LYS  45          2HZ       LYS  45  -0.509  -5.957  10.047
  322   3HZ   LYS  45          3HZ       LYS  45  -0.168  -6.224   8.413
  323    H    GLY  46           H        GLY  46  -5.818  -5.812   2.504
  324   1HA   GLY  46          2HA       GLY  46  -5.197  -8.330   1.476
  325   2HA   GLY  46          1HA       GLY  46  -6.849  -8.399   2.075
  326    H    ARG  47           H        ARG  47  -7.859  -8.582   0.112
  327    HA   ARG  47           HA       ARG  47  -7.310  -6.605  -1.954
  328   1HB   ARG  47          2HB       ARG  47  -9.333  -8.845  -2.006
  329   2HB   ARG  47          1HB       ARG  47  -8.698  -7.946  -3.381
  330   1HG   ARG  47          2HG       ARG  47  -6.520  -8.916  -3.075
  331   2HG   ARG  47          1HG       ARG  47  -7.044  -9.712  -1.589
  332   1HD   ARG  47          2HD       ARG  47  -8.726 -10.964  -2.931
  333   2HD   ARG  47          1HD       ARG  47  -8.027 -10.254  -4.387
  334    HE   ARG  47           HE       ARG  47  -6.030 -11.532  -2.836
  335   1HH1  ARG  47          1HH1      ARG  47  -8.688 -12.188  -4.986
  336   2HH1  ARG  47          2HH1      ARG  47  -8.041 -13.697  -5.536
  337   1HH2  ARG  47          1HH2      ARG  47  -5.165 -13.511  -3.553
  338   2HH2  ARG  47          2HH2      ARG  47  -6.034 -14.451  -4.720
  339    H    CYS  48           H        CYS  48  -8.171  -5.121  -0.046
  340    HA   CYS  48           HA       CYS  48  -9.772  -3.692   0.720
  341   1HB   CYS  48          2HB       CYS  48 -10.051  -3.947  -2.156
  342   2HB   CYS  48          1HB       CYS  48 -11.571  -3.487  -1.396
  Start of MODEL   14
    1   1H    LYS   1          1HT       LYS   1   3.681   9.593   9.274
    2   2H    LYS   1          2HT       LYS   1   4.586  11.047   9.382
    3   3H    LYS   1          3HT       LYS   1   5.393   9.536   9.280
    4    HA   LYS   1           HA       LYS   1   3.576   9.953   7.146
    5   1HB   LYS   1          2HB       LYS   1   5.106  11.664   6.067
    6   2HB   LYS   1          1HB       LYS   1   4.082  12.264   7.365
    7   1HG   LYS   1          2HG       LYS   1   5.885  13.079   8.351
    8   2HG   LYS   1          1HG       LYS   1   6.467  11.428   8.582
    9   1HD   LYS   1          2HD       LYS   1   8.226  12.329   7.415
   10   2HD   LYS   1          1HD       LYS   1   7.249  11.703   6.086
   11   1HE   LYS   1          2HE       LYS   1   6.320  14.311   6.689
   12   2HE   LYS   1          1HE       LYS   1   8.078  14.382   6.585
   13   1HZ   LYS   1          1HZ       LYS   1   6.699  14.682   4.458
   14   2HZ   LYS   1          2HZ       LYS   1   6.514  13.001   4.504
   15   3HZ   LYS   1          3HZ       LYS   1   8.060  13.677   4.398
   16    HA   PRO   2           HA       PRO   2   6.548   6.515   6.594
   17   1HB   PRO   2          2HB       PRO   2   4.737   6.298   4.227
   18   2HB   PRO   2          1HB       PRO   2   5.339   5.030   5.303
   19   1HG   PRO   2          2HG       PRO   2   2.845   5.921   5.535
   20   2HG   PRO   2          1HG       PRO   2   3.809   5.537   6.974
   21   1HD   PRO   2          2HD       PRO   2   3.074   8.192   5.837
   22   2HD   PRO   2          1HD       PRO   2   3.297   7.709   7.531
   23    H    ASP   3           H        ASP   3   7.340   5.737   4.181
   24    HA   ASP   3           HA       ASP   3   7.864   7.836   2.334
   25   1HB   ASP   3          2HB       ASP   3  10.159   8.265   2.725
   26   2HB   ASP   3          1HB       ASP   3   9.392   8.386   4.305
   27    H    CYS   4           H        CYS   4   9.482   7.112   0.642
   28    HA   CYS   4           HA       CYS   4   8.790   4.522  -0.241
   29   1HB   CYS   4          2HB       CYS   4  10.903   6.468  -1.168
   30   2HB   CYS   4          1HB       CYS   4  10.598   4.935  -1.974
   31    HA   PRO   5           HA       PRO   5  11.954   2.314   1.992
   32   1HB   PRO   5          2HB       PRO   5  11.061  -0.148   1.495
   33   2HB   PRO   5          1HB       PRO   5  10.154   0.956   2.539
   34   1HG   PRO   5          2HG       PRO   5   9.656   0.191  -0.303
   35   2HG   PRO   5          1HG       PRO   5   8.494   0.484   1.000
   36   1HD   PRO   5          2HD       PRO   5   9.211   2.310  -0.988
   37   2HD   PRO   5          1HD       PRO   5   8.395   2.708   0.536
   38    H    LEU   6           H        LEU   6  13.120   0.067   1.379
   39    HA   LEU   6           HA       LEU   6  14.235   0.409  -1.330
   40   1HB   LEU   6          2HB       LEU   6  15.518   0.447   1.217
   41   2HB   LEU   6          1HB       LEU   6  16.048  -0.990   0.366
   42    HG   LEU   6           HG       LEU   6  16.132   1.348  -1.351
   43   1HD1  LEU   6          1HD1      LEU   6  16.518   2.575   0.695
   44   2HD1  LEU   6          2HD1      LEU   6  18.027   2.433  -0.207
   45   3HD1  LEU   6          3HD1      LEU   6  17.740   1.407   1.198
   46   1HD2  LEU   6          1HD2      LEU   6  18.534  -0.162  -0.463
   47   2HD2  LEU   6          2HD2      LEU   6  18.076   0.390  -2.074
   48   3HD2  LEU   6          3HD2      LEU   6  17.295  -1.026  -1.372
   49    H    ILE   7           H        ILE   7  12.220  -1.125  -1.551
   50    HA   ILE   7           HA       ILE   7  11.510  -3.195  -2.197
   51    HB   ILE   7           HB       ILE   7  14.448  -3.797  -1.910
   52   1HG1  ILE   7          2HG1      ILE   7  12.547  -3.493  -4.234
   53   2HG1  ILE   7          1HG1      ILE   7  13.930  -2.479  -3.838
   54   1HG2  ILE   7          1HG2      ILE   7  13.278  -5.836  -1.324
   55   2HG2  ILE   7          2HG2      ILE   7  14.006  -5.996  -2.922
   56   3HG2  ILE   7          3HG2      ILE   7  12.275  -5.703  -2.767
   57   1HD1  ILE   7          1HD1      ILE   7  15.063  -3.687  -5.311
   58   2HD1  ILE   7          2HD1      ILE   7  13.796  -4.911  -5.394
   59   3HD1  ILE   7          3HD1      ILE   7  15.023  -4.996  -4.130
   60    H    CYS   8           H        CYS   8  10.131  -3.778  -0.606
   61    HA   CYS   8           HA       CYS   8  11.077  -4.564   1.981
   62   1HB   CYS   8          2HB       CYS   8   8.664  -3.624   0.962
   63   2HB   CYS   8          1HB       CYS   8   8.329  -5.233   1.573
   64    H    THR   9           H        THR   9   8.669  -6.399   0.160
   65    HA   THR   9           HA       THR   9  10.375  -8.697  -0.052
   66    HB   THR   9           HB       THR   9   9.799  -8.740   2.349
   67    HG1  THR   9           1HG      THR   9  10.041 -10.765   1.844
   68   1HG2  THR   9          1HG2      THR   9   7.639  -7.722   2.400
   69   2HG2  THR   9          2HG2      THR   9   7.500  -9.374   3.001
   70   3HG2  THR   9          3HG2      THR   9   6.969  -8.983   1.366
   71    H    MET  10           H        MET  10   9.268 -10.577  -0.956
   72    HA   MET  10           HA       MET  10   7.104  -9.731  -2.741
   73   1HB   MET  10          2HB       MET  10   9.219 -11.847  -2.866
   74   2HB   MET  10          1HB       MET  10   7.743 -12.055  -3.798
   75   1HG   MET  10          2HG       MET  10   8.831  -9.411  -4.153
   76   2HG   MET  10          1HG       MET  10  10.020 -10.652  -4.542
   77   1HE   MET  10          1HE       MET  10   6.973  -8.904  -7.018
   78   2HE   MET  10          2HE       MET  10   8.704  -8.799  -7.338
   79   3HE   MET  10          3HE       MET  10   8.072  -8.350  -5.755
   80    H    GLN  11           H        GLN  11   6.791 -10.499   0.108
   81    HA   GLN  11           HA       GLN  11   5.411 -13.038   0.047
   82   1HB   GLN  11          2HB       GLN  11   6.143 -11.048   2.142
   83   2HB   GLN  11          1HB       GLN  11   4.771 -12.100   2.462
   84   1HG   GLN  11          2HG       GLN  11   6.177 -14.058   2.114
   85   2HG   GLN  11          1HG       GLN  11   7.554 -13.013   1.767
   86   1HE2  GLN  11          1HE2      GLN  11   8.911 -12.950   3.397
   87   2HE2  GLN  11          2HE2      GLN  11   8.498 -12.936   5.073
   88    H    TYR  12           H        TYR  12   4.132 -11.958  -1.765
   89    HA   TYR  12           HA       TYR  12   2.371 -10.114  -1.975
   90   1HB   TYR  12          2HB       TYR  12   2.316 -12.820  -2.771
   91   2HB   TYR  12          1HB       TYR  12   0.701 -12.425  -2.193
   92    HD1  TYR  12           1HD      TYR  12   3.237 -10.404  -4.055
   93    HD2  TYR  12           2HD      TYR  12  -0.667 -12.095  -4.019
   94    HE1  TYR  12           1HE      TYR  12   2.736  -9.279  -6.184
   95    HE2  TYR  12           2HE      TYR  12  -1.179 -10.976  -6.147
   96    HH   TYR  12           HH       TYR  12   1.184  -8.838  -7.716
   97    H    ASP  13           H        ASP  13   1.632  -8.971  -0.319
   98    HA   ASP  13           HA       ASP  13  -0.486 -10.184   1.310
   99   1HB   ASP  13          2HB       ASP  13   2.017  -9.270   2.308
  100   2HB   ASP  13          1HB       ASP  13   0.802  -8.091   2.795
  101    HA   PRO  14           HA       PRO  14  -1.551  -6.451  -1.341
  102   1HB   PRO  14          2HB       PRO  14  -4.137  -7.510  -1.667
  103   2HB   PRO  14          1HB       PRO  14  -2.820  -7.573  -2.842
  104   1HG   PRO  14          2HG       PRO  14  -3.710  -9.629  -0.877
  105   2HG   PRO  14          1HG       PRO  14  -3.087  -9.841  -2.524
  106   1HD   PRO  14          2HD       PRO  14  -1.549 -10.357  -0.405
  107   2HD   PRO  14          1HD       PRO  14  -0.870  -9.569  -1.847
  108    H    VAL  15           H        VAL  15  -2.069  -4.713  -0.258
  109    HA   VAL  15           HA       VAL  15  -4.195  -4.846   1.762
  110    HB   VAL  15           HB       VAL  15  -2.893  -3.040   2.943
  111   1HG1  VAL  15          1HG1      VAL  15  -2.269  -4.673   4.316
  112   2HG1  VAL  15          2HG1      VAL  15  -1.004  -5.180   3.197
  113   3HG1  VAL  15          3HG1      VAL  15  -2.636  -5.828   3.035
  114   1HG2  VAL  15          1HG2      VAL  15  -0.620  -4.001   1.223
  115   2HG2  VAL  15          2HG2      VAL  15  -0.552  -2.770   2.483
  116   3HG2  VAL  15          3HG2      VAL  15  -1.461  -2.467   1.002
  117    H    CYS  16           H        CYS  16  -5.719  -3.395   1.596
  118    HA   CYS  16           HA       CYS  16  -5.738  -1.627  -0.658
  119   1HB   CYS  16          2HB       CYS  16  -7.639  -2.850   1.042
  120   2HB   CYS  16          1HB       CYS  16  -7.863  -1.122   1.151
  121    H    GLY  17           H        GLY  17  -4.990   0.389  -0.666
  122   1HA   GLY  17          2HA       GLY  17  -4.330   1.597   1.912
  123   2HA   GLY  17          1HA       GLY  17  -3.616   2.025   0.369
  124    H    SER  18           H        SER  18  -5.111   3.407   2.632
  125    HA   SER  18           HA       SER  18  -7.515   4.447   1.837
  126   1HB   SER  18          2HB       SER  18  -6.739   5.032   4.007
  127   2HB   SER  18          1HB       SER  18  -5.231   5.687   3.372
  128    HG   SER  18           HG       SER  18  -7.629   6.902   3.713
  129    H    ASP  19           H        ASP  19  -7.709   4.763  -0.235
  130    HA   ASP  19           HA       ASP  19  -7.273   7.184  -1.431
  131   1HB   ASP  19          2HB       ASP  19  -4.919   6.923  -1.502
  132   2HB   ASP  19          1HB       ASP  19  -5.039   5.223  -1.948
  133    H    GLY  20           H        GLY  20  -7.547   3.739  -1.675
  134   1HA   GLY  20          2HA       GLY  20  -9.520   2.830  -2.735
  135   2HA   GLY  20          1HA       GLY  20  -9.356   4.070  -3.971
  136    H    ILE  21           H        ILE  21  -6.624   2.239  -2.691
  137    HA   ILE  21           HA       ILE  21  -6.595   0.682  -5.191
  138    HB   ILE  21           HB       ILE  21  -4.270   2.270  -4.130
  139   1HG1  ILE  21          2HG1      ILE  21  -6.200   3.379  -5.484
  140   2HG1  ILE  21          1HG1      ILE  21  -4.531   3.714  -5.935
  141   1HG2  ILE  21          1HG2      ILE  21  -3.737  -0.010  -5.093
  142   2HG2  ILE  21          2HG2      ILE  21  -2.939   1.362  -5.861
  143   3HG2  ILE  21          3HG2      ILE  21  -4.333   0.607  -6.635
  144   1HD1  ILE  21          1HD1      ILE  21  -4.650   2.285  -7.801
  145   2HD1  ILE  21          2HD1      ILE  21  -6.130   3.242  -7.820
  146   3HD1  ILE  21          3HD1      ILE  21  -6.166   1.572  -7.254
  147    H    THR  22           H        THR  22  -6.096  -1.388  -4.939
  148    HA   THR  22           HA       THR  22  -5.181  -2.327  -2.331
  149    HB   THR  22           HB       THR  22  -6.170  -3.805  -4.781
  150    HG1  THR  22           1HG      THR  22  -7.777  -4.375  -2.999
  151   1HG2  THR  22          1HG2      THR  22  -4.846  -4.812  -2.358
  152   2HG2  THR  22          2HG2      THR  22  -5.014  -5.542  -3.955
  153   3HG2  THR  22          3HG2      THR  22  -6.348  -5.622  -2.804
  154    H    TYR  23           H        TYR  23  -3.044  -1.975  -2.172
  155    HA   TYR  23           HA       TYR  23  -1.259  -2.313  -4.379
  156   1HB   TYR  23          2HB       TYR  23  -0.636  -1.850  -1.459
  157   2HB   TYR  23          1HB       TYR  23   0.436  -1.565  -2.824
  158    HD1  TYR  23           1HD      TYR  23  -2.660  -0.444  -1.163
  159    HD2  TYR  23           2HD      TYR  23   0.219   0.425  -4.174
  160    HE1  TYR  23           1HE      TYR  23  -3.642   1.792  -1.444
  161    HE2  TYR  23           2HE      TYR  23  -0.750   2.672  -4.453
  162    HH   TYR  23           HH       TYR  23  -2.341   4.086  -3.826
  163    H    GLY  24           H        GLY  24   0.728  -3.594  -4.206
  164   1HA   GLY  24          2HA       GLY  24   0.084  -6.339  -3.808
  165   2HA   GLY  24          1HA       GLY  24   1.669  -5.697  -4.222
  166    H    ASN  25           H        ASN  25   1.365  -3.897  -1.785
  167    HA   ASN  25           HA       ASN  25   1.257  -5.492   0.502
  168   1HB   ASN  25          2HB       ASN  25   3.919  -5.251  -0.816
  169   2HB   ASN  25          1HB       ASN  25   3.858  -5.178   0.941
  170   1HD2  ASN  25          1HD2      ASN  25   5.110  -7.181  -0.637
  171   2HD2  ASN  25          2HD2      ASN  25   4.325  -8.680  -0.289
  172    H    ALA  26           H        ALA  26   1.538  -4.313   2.400
  173    HA   ALA  26           HA       ALA  26   0.931  -1.613   2.327
  174   1HB   ALA  26          1HB       ALA  26   2.350  -3.053   4.570
  175   2HB   ALA  26          2HB       ALA  26   0.608  -3.079   4.295
  176   3HB   ALA  26          3HB       ALA  26   1.415  -1.563   4.698
  177    H    CYS  27           H        CYS  27   3.955  -3.232   2.055
  178    HA   CYS  27           HA       CYS  27   5.619  -0.969   2.648
  179   1HB   CYS  27          2HB       CYS  27   6.090  -3.693   1.473
  180   2HB   CYS  27          1HB       CYS  27   7.337  -2.459   1.402
  181    H    MET  28           H        MET  28   4.275  -2.517  -0.194
  182    HA   MET  28           HA       MET  28   5.705  -0.961  -2.083
  183   1HB   MET  28          2HB       MET  28   3.140  -2.551  -2.252
  184   2HB   MET  28          1HB       MET  28   3.912  -1.801  -3.645
  185   1HG   MET  28          2HG       MET  28   5.996  -3.181  -2.605
  186   2HG   MET  28          1HG       MET  28   4.652  -4.219  -2.141
  187   1HE   MET  28          1HE       MET  28   6.627  -5.403  -3.427
  188   2HE   MET  28          2HE       MET  28   6.787  -5.455  -5.183
  189   3HE   MET  28          3HE       MET  28   5.556  -6.430  -4.381
  190    H    LEU  29           H        LEU  29   3.089  -0.385   0.005
  191    HA   LEU  29           HA       LEU  29   1.816   1.684  -1.464
  192   1HB   LEU  29          2HB       LEU  29   1.403   0.278   0.959
  193   2HB   LEU  29          1HB       LEU  29   1.445   1.992   1.339
  194    HG   LEU  29           HG       LEU  29  -0.420   0.527  -0.474
  195   1HD1  LEU  29          1HD1      LEU  29  -1.668   2.491   1.104
  196   2HD1  LEU  29          2HD1      LEU  29  -0.530   1.641   2.149
  197   3HD1  LEU  29          3HD1      LEU  29  -1.766   0.739   1.270
  198   1HD2  LEU  29          1HD2      LEU  29  -1.285   2.916  -0.944
  199   2HD2  LEU  29          2HD2      LEU  29   0.100   2.312  -1.854
  200   3HD2  LEU  29          3HD2      LEU  29   0.346   3.416  -0.504
  201    H    LEU  30           H        LEU  30   3.803   1.776   1.497
  202    HA   LEU  30           HA       LEU  30   4.100   4.509   1.647
  203   1HB   LEU  30          2HB       LEU  30   6.573   3.726   2.446
  204   2HB   LEU  30          1HB       LEU  30   5.143   3.698   3.462
  205    HG   LEU  30           HG       LEU  30   5.564   1.275   1.854
  206   1HD1  LEU  30          1HD1      LEU  30   7.258   0.447   3.528
  207   2HD1  LEU  30          2HD1      LEU  30   7.504   2.134   3.978
  208   3HD1  LEU  30          3HD1      LEU  30   7.851   1.602   2.334
  209   1HD2  LEU  30          1HD2      LEU  30   3.802   1.664   3.607
  210   2HD2  LEU  30          2HD2      LEU  30   5.096   1.627   4.803
  211   3HD2  LEU  30          3HD2      LEU  30   4.768   0.205   3.816
  212    H    GLY  31           H        GLY  31   5.570   2.234  -0.536
  213   1HA   GLY  31          2HA       GLY  31   7.559   4.062  -1.536
  214   2HA   GLY  31          1HA       GLY  31   7.080   2.535  -2.271
  215    H    ALA  32           H        ALA  32   4.251   3.298  -2.206
  216    HA   ALA  32           HA       ALA  32   4.179   4.721  -4.721
  217   1HB   ALA  32          1HB       ALA  32   1.728   4.228  -4.580
  218   2HB   ALA  32          2HB       ALA  32   2.046   3.415  -3.048
  219   3HB   ALA  32          3HB       ALA  32   2.771   2.806  -4.537
  220    H    SER  33           H        SER  33   2.685   5.130  -1.512
  221    HA   SER  33           HA       SER  33   1.459   7.576  -1.967
  222   1HB   SER  33          2HB       SER  33   0.785   7.175   0.127
  223   2HB   SER  33          1HB       SER  33   1.984   5.894   0.274
  224    HG   SER  33           HG       SER  33   2.203   7.586   1.851
  225    H    CYS  34           H        CYS  34   4.807   6.857  -1.150
  226    HA   CYS  34           HA       CYS  34   5.479   9.601  -0.649
  227   1HB   CYS  34          2HB       CYS  34   7.123   8.497   0.405
  228   2HB   CYS  34          1HB       CYS  34   6.811   7.029  -0.502
  229    H    ARG  35           H        ARG  35   5.969   7.380  -3.372
  230    HA   ARG  35           HA       ARG  35   7.139   9.503  -4.969
  231   1HB   ARG  35          2HB       ARG  35   7.676   7.852  -6.555
  232   2HB   ARG  35          1HB       ARG  35   7.893   7.070  -4.994
  233   1HG   ARG  35          2HG       ARG  35   5.559   6.145  -5.280
  234   2HG   ARG  35          1HG       ARG  35   5.642   6.714  -6.949
  235   1HD   ARG  35          2HD       ARG  35   7.363   4.653  -5.595
  236   2HD   ARG  35          1HD       ARG  35   6.302   4.441  -6.986
  237    HE   ARG  35           HE       ARG  35   8.455   6.321  -7.384
  238   1HH1  ARG  35          1HH1      ARG  35   7.420   3.005  -7.634
  239   2HH1  ARG  35          2HH1      ARG  35   8.605   2.590  -8.828
  240   1HH2  ARG  35          1HH2      ARG  35  10.020   5.782  -8.955
  241   2HH2  ARG  35          2HH2      ARG  35  10.078   4.168  -9.580
  242    H    SER  36           H        SER  36   4.097   9.082  -4.128
  243    HA   SER  36           HA       SER  36   2.936   9.326  -6.796
  244   1HB   SER  36          2HB       SER  36   1.895   7.753  -5.226
  245   2HB   SER  36          1HB       SER  36   1.579   9.066  -4.103
  246    HG   SER  36           HG       SER  36  -0.184   9.390  -5.183
  247    H    ASP  37           H        ASP  37   1.435  10.850  -4.043
  248    HA   ASP  37           HA       ASP  37   2.404  13.448  -4.288
  249   1HB   ASP  37          2HB       ASP  37   0.912  14.565  -5.710
  250   2HB   ASP  37          1HB       ASP  37   1.287  13.088  -6.593
  251    H    THR  38           H        THR  38  -0.331  11.352  -3.662
  252    HA   THR  38           HA       THR  38  -1.246  13.152  -1.532
  253    HB   THR  38           HB       THR  38  -3.065  11.068  -1.671
  254    HG1  THR  38           1HG      THR  38  -2.633  10.199  -3.546
  255   1HG2  THR  38          1HG2      THR  38  -3.100  13.755  -3.007
  256   2HG2  THR  38          2HG2      THR  38  -3.822  13.296  -1.466
  257   3HG2  THR  38          3HG2      THR  38  -4.486  12.666  -2.973
  258    HA   PRO  39           HA       PRO  39   0.455  10.492   1.541
  259   1HB   PRO  39          2HB       PRO  39  -1.136  11.127   3.640
  260   2HB   PRO  39          1HB       PRO  39   0.106  12.219   3.016
  261   1HG   PRO  39          2HG       PRO  39  -2.845  12.209   2.494
  262   2HG   PRO  39          1HG       PRO  39  -1.778  13.582   2.847
  263   1HD   PRO  39          2HD       PRO  39  -2.573  12.976   0.335
  264   2HD   PRO  39          1HD       PRO  39  -0.980  13.679   0.683
  265    H    ILE  40           H        ILE  40  -0.394   8.599   0.297
  266    HA   ILE  40           HA       ILE  40  -2.904   7.440   0.896
  267    HB   ILE  40           HB       ILE  40  -0.497   5.817   0.128
  268   1HG1  ILE  40          2HG1      ILE  40  -2.101   7.688  -1.618
  269   2HG1  ILE  40          1HG1      ILE  40  -0.360   7.700  -1.345
  270   1HG2  ILE  40          1HG2      ILE  40  -2.438   4.516   0.506
  271   2HG2  ILE  40          2HG2      ILE  40  -2.255   4.647  -1.244
  272   3HG2  ILE  40          3HG2      ILE  40  -3.450   5.637  -0.407
  273   1HD1  ILE  40          1HD1      ILE  40  -1.333   6.723  -3.541
  274   2HD1  ILE  40          2HD1      ILE  40  -1.645   5.298  -2.548
  275   3HD1  ILE  40          3HD1      ILE  40   0.002   5.905  -2.727
  276    H    GLU  41           H        GLU  41  -3.424   5.690   2.267
  277    HA   GLU  41           HA       GLU  41  -1.406   5.015   4.305
  278   1HB   GLU  41          2HB       GLU  41  -4.092   6.244   4.773
  279   2HB   GLU  41          1HB       GLU  41  -3.442   5.123   5.961
  280   1HG   GLU  41          2HG       GLU  41  -1.876   6.573   6.677
  281   2HG   GLU  41          1HG       GLU  41  -1.609   7.247   5.070
  282    H    LEU  42           H        LEU  42  -2.629   3.325   5.911
  283    HA   LEU  42           HA       LEU  42  -3.616   1.225   4.103
  284   1HB   LEU  42          2HB       LEU  42  -1.605   1.187   6.091
  285   2HB   LEU  42          1HB       LEU  42  -2.931   0.208   6.692
  286    HG   LEU  42           HG       LEU  42  -1.238  -1.111   5.456
  287   1HD1  LEU  42          1HD1      LEU  42  -3.951  -1.326   5.382
  288   2HD1  LEU  42          2HD1      LEU  42  -2.819  -2.530   4.767
  289   3HD1  LEU  42          3HD1      LEU  42  -3.536  -1.350   3.668
  290   1HD2  LEU  42          1HD2      LEU  42  -0.686  -0.753   3.267
  291   2HD2  LEU  42          2HD2      LEU  42  -0.957   0.908   3.794
  292   3HD2  LEU  42          3HD2      LEU  42  -2.213   0.049   2.902
  293    H    VAL  43           H        VAL  43  -5.579   0.344   4.382
  294    HA   VAL  43           HA       VAL  43  -7.081   1.128   6.791
  295    HB   VAL  43           HB       VAL  43  -9.040   0.644   4.953
  296   1HG1  VAL  43          1HG1      VAL  43  -8.370   3.415   4.833
  297   2HG1  VAL  43          2HG1      VAL  43  -8.039   2.810   6.456
  298   3HG1  VAL  43          3HG1      VAL  43  -9.646   2.622   5.756
  299   1HG2  VAL  43          1HG2      VAL  43  -8.508   1.779   2.903
  300   2HG2  VAL  43          2HG2      VAL  43  -7.321   0.501   3.163
  301   3HG2  VAL  43          3HG2      VAL  43  -6.895   2.180   3.494
  302    H    HIS  44           H        HIS  44  -6.760  -1.280   4.214
  303    HA   HIS  44           HA       HIS  44  -7.609  -3.329   6.143
  304   1HB   HIS  44          2HB       HIS  44  -8.340  -3.868   3.341
  305   2HB   HIS  44          1HB       HIS  44  -9.244  -4.171   4.822
  306    HD1  HIS  44           1HD      HIS  44 -10.247  -1.804   5.911
  307    HD2  HIS  44           2HD      HIS  44  -9.424  -1.913   1.844
  308    HE1  HIS  44           1HE      HIS  44 -11.556   0.092   4.910
  309    HE2  HIS  44           2HE      HIS  44 -11.108  -0.041   2.436
  310    H    LYS  45           H        LYS  45  -6.466  -5.202   6.109
  311    HA   LYS  45           HA       LYS  45  -4.063  -5.215   4.462
  312   1HB   LYS  45          2HB       LYS  45  -4.716  -7.272   6.549
  313   2HB   LYS  45          1HB       LYS  45  -3.139  -6.711   6.008
  314   1HG   LYS  45          2HG       LYS  45  -4.295  -4.432   7.022
  315   2HG   LYS  45          1HG       LYS  45  -4.859  -5.694   8.117
  316   1HD   LYS  45          2HD       LYS  45  -2.677  -6.305   8.716
  317   2HD   LYS  45          1HD       LYS  45  -1.970  -5.477   7.327
  318   1HE   LYS  45          2HE       LYS  45  -1.678  -3.653   8.558
  319   2HE   LYS  45          1HE       LYS  45  -3.414  -3.565   8.849
  320   1HZ   LYS  45          1HZ       LYS  45  -1.850  -3.734  10.850
  321   2HZ   LYS  45          2HZ       LYS  45  -1.708  -5.369  10.443
  322   3HZ   LYS  45          3HZ       LYS  45  -3.222  -4.724  10.830
  323    H    GLY  46           H        GLY  46  -5.926  -5.629   2.713
  324   1HA   GLY  46          2HA       GLY  46  -5.418  -8.162   1.626
  325   2HA   GLY  46          1HA       GLY  46  -6.982  -8.217   2.426
  326    H    ARG  47           H        ARG  47  -7.994  -8.574   0.399
  327    HA   ARG  47           HA       ARG  47  -7.790  -6.544  -1.648
  328   1HB   ARG  47          2HB       ARG  47  -9.904  -8.660  -1.662
  329   2HB   ARG  47          1HB       ARG  47  -9.008  -7.970  -3.009
  330   1HG   ARG  47          2HG       ARG  47  -6.969  -9.148  -2.080
  331   2HG   ARG  47          1HG       ARG  47  -8.079 -10.016  -1.018
  332   1HD   ARG  47          2HD       ARG  47  -8.990 -10.031  -3.767
  333   2HD   ARG  47          1HD       ARG  47  -7.368 -10.707  -3.616
  334    HE   ARG  47           HE       ARG  47  -9.818 -11.872  -2.693
  335   1HH1  ARG  47          1HH1      ARG  47  -6.379 -11.704  -2.169
  336   2HH1  ARG  47          2HH1      ARG  47  -6.287 -13.260  -1.412
  337   1HH2  ARG  47          1HH2      ARG  47  -9.708 -13.923  -1.700
  338   2HH2  ARG  47          2HH2      ARG  47  -8.180 -14.521  -1.145
  339    H    CYS  48           H        CYS  48  -8.507  -5.103   0.373
  340    HA   CYS  48           HA       CYS  48 -10.087  -3.777   1.353
  341   1HB   CYS  48          2HB       CYS  48 -10.592  -3.892  -1.517
  342   2HB   CYS  48          1HB       CYS  48 -12.019  -3.438  -0.593
  Start of MODEL   15
    1   1H    LYS   1          1HT       LYS   1  14.619  10.990   2.932
    2   2H    LYS   1          2HT       LYS   1  13.729  10.296   4.224
    3   3H    LYS   1          3HT       LYS   1  13.318  11.856   3.637
    4    HA   LYS   1           HA       LYS   1  12.415  11.067   1.733
    5   1HB   LYS   1          2HB       LYS   1  14.396   8.953   2.177
    6   2HB   LYS   1          1HB       LYS   1  12.870   8.353   1.540
    7   1HG   LYS   1          2HG       LYS   1  13.034   9.729  -0.385
    8   2HG   LYS   1          1HG       LYS   1  14.389  10.631   0.298
    9   1HD   LYS   1          2HD       LYS   1  14.869   7.757   0.171
   10   2HD   LYS   1          1HD       LYS   1  14.575   8.481  -1.411
   11   1HE   LYS   1          2HE       LYS   1  16.681   9.187  -1.419
   12   2HE   LYS   1          1HE       LYS   1  16.284  10.248  -0.068
   13   1HZ   LYS   1          1HZ       LYS   1  16.661   7.925   1.191
   14   2HZ   LYS   1          2HZ       LYS   1  17.879   9.074   0.958
   15   3HZ   LYS   1          3HZ       LYS   1  17.754   7.752  -0.089
   16    HA   PRO   2           HA       PRO   2   9.159   9.764   4.562
   17   1HB   PRO   2          2HB       PRO   2   7.125  10.268   2.813
   18   2HB   PRO   2          1HB       PRO   2   7.902  11.519   3.788
   19   1HG   PRO   2          2HG       PRO   2   8.374  10.781   0.927
   20   2HG   PRO   2          1HG       PRO   2   8.253  12.391   1.663
   21   1HD   PRO   2          2HD       PRO   2  10.627  11.273   1.047
   22   2HD   PRO   2          1HD       PRO   2  10.421  12.325   2.463
   23    H    ASP   3           H        ASP   3   6.862   8.598   3.610
   24    HA   ASP   3           HA       ASP   3   7.484   5.929   3.382
   25   1HB   ASP   3          2HB       ASP   3   5.034   7.289   2.258
   26   2HB   ASP   3          1HB       ASP   3   5.185   5.573   2.624
   27    H    CYS   4           H        CYS   4   9.234   5.787   1.893
   28    HA   CYS   4           HA       CYS   4   8.383   5.851  -0.921
   29   1HB   CYS   4          2HB       CYS   4  10.599   7.115   0.305
   30   2HB   CYS   4          1HB       CYS   4  11.241   5.811  -0.685
   31    HA   PRO   5           HA       PRO   5   9.318   1.576  -1.206
   32   1HB   PRO   5          2HB       PRO   5  10.129   1.295  -3.754
   33   2HB   PRO   5          1HB       PRO   5   8.467   1.728  -3.337
   34   1HG   PRO   5          2HG       PRO   5  10.692   3.462  -4.309
   35   2HG   PRO   5          1HG       PRO   5   8.966   3.521  -4.704
   36   1HD   PRO   5          2HD       PRO   5  10.229   5.174  -2.885
   37   2HD   PRO   5          1HD       PRO   5   8.489   4.834  -2.904
   38    H    LEU   6           H        LEU   6  10.902   0.303  -0.527
   39    HA   LEU   6           HA       LEU   6  13.642   0.739  -1.439
   40   1HB   LEU   6          2HB       LEU   6  12.649   1.176   1.293
   41   2HB   LEU   6          1HB       LEU   6  14.063   0.143   1.197
   42    HG   LEU   6           HG       LEU   6  14.656   2.324  -0.450
   43   1HD1  LEU   6          1HD1      LEU   6  13.873   4.220   0.445
   44   2HD1  LEU   6          2HD1      LEU   6  14.033   3.622   2.098
   45   3HD1  LEU   6          3HD1      LEU   6  12.619   3.191   1.136
   46   1HD2  LEU   6          1HD2      LEU   6  15.533   2.127   2.406
   47   2HD2  LEU   6          2HD2      LEU   6  16.456   2.620   0.986
   48   3HD2  LEU   6          3HD2      LEU   6  16.037   0.923   1.221
   49    H    ILE   7           H        ILE   7  11.975  -1.235  -2.297
   50    HA   ILE   7           HA       ILE   7  11.643  -3.497  -2.433
   51    HB   ILE   7           HB       ILE   7  14.560  -3.411  -1.654
   52   1HG1  ILE   7          2HG1      ILE   7  13.471  -3.902  -4.408
   53   2HG1  ILE   7          1HG1      ILE   7  13.625  -2.256  -3.803
   54   1HG2  ILE   7          1HG2      ILE   7  14.661  -5.656  -2.740
   55   2HG2  ILE   7          2HG2      ILE   7  12.898  -5.664  -2.768
   56   3HG2  ILE   7          3HG2      ILE   7  13.755  -5.621  -1.227
   57   1HD1  ILE   7          1HD1      ILE   7  15.925  -4.175  -3.792
   58   2HD1  ILE   7          2HD1      ILE   7  15.955  -2.417  -3.651
   59   3HD1  ILE   7          3HD1      ILE   7  15.538  -3.172  -5.190
   60    H    CYS   8           H        CYS   8  10.178  -3.733  -0.676
   61    HA   CYS   8           HA       CYS   8  11.180  -4.336   1.950
   62   1HB   CYS   8          2HB       CYS   8   8.713  -3.523   0.891
   63   2HB   CYS   8          1HB       CYS   8   8.447  -5.082   1.653
   64    H    THR   9           H        THR   9   8.834  -6.265   0.132
   65    HA   THR   9           HA       THR   9  10.492  -8.569  -0.006
   66    HB   THR   9           HB       THR   9  10.154  -8.700   2.359
   67    HG1  THR   9           1HG      THR   9   9.868 -10.738   2.046
   68   1HG2  THR   9          1HG2      THR   9   7.841  -8.987   3.291
   69   2HG2  THR   9          2HG2      THR   9   7.236  -8.336   1.768
   70   3HG2  THR   9          3HG2      THR   9   8.274  -7.351   2.796
   71    H    MET  10           H        MET  10   9.424 -10.412  -0.935
   72    HA   MET  10           HA       MET  10   7.166  -9.617  -2.595
   73   1HB   MET  10          2HB       MET  10   9.340 -11.590  -2.783
   74   2HB   MET  10          1HB       MET  10   7.787 -12.164  -3.375
   75   1HG   MET  10          2HG       MET  10   7.878 -10.889  -5.201
   76   2HG   MET  10          1HG       MET  10   8.467  -9.488  -4.307
   77   1HE   MET  10          1HE       MET  10   9.023 -12.004  -6.799
   78   2HE   MET  10          2HE       MET  10  10.715 -11.815  -7.258
   79   3HE   MET  10          3HE       MET  10   9.603 -10.454  -7.410
   80    H    GLN  11           H        GLN  11   7.119 -10.430   0.348
   81    HA   GLN  11           HA       GLN  11   5.627 -12.852   0.485
   82   1HB   GLN  11          2HB       GLN  11   6.974 -11.885   2.377
   83   2HB   GLN  11          1HB       GLN  11   5.749 -10.633   2.535
   84   1HG   GLN  11          2HG       GLN  11   4.130 -12.688   2.721
   85   2HG   GLN  11          1HG       GLN  11   5.605 -13.523   3.208
   86   1HE2  GLN  11          1HE2      GLN  11   3.210 -11.203   4.068
   87   2HE2  GLN  11          2HE2      GLN  11   3.733 -10.943   5.694
   88    H    TYR  12           H        TYR  12   4.294 -11.997  -1.363
   89    HA   TYR  12           HA       TYR  12   2.528 -10.194  -1.770
   90   1HB   TYR  12          2HB       TYR  12   2.425 -12.986  -2.164
   91   2HB   TYR  12          1HB       TYR  12   0.836 -12.501  -1.583
   92    HD1  TYR  12           1HD      TYR  12   3.403 -11.284  -4.025
   93    HD2  TYR  12           2HD      TYR  12  -0.715 -11.940  -3.180
   94    HE1  TYR  12           1HE      TYR  12   2.818 -10.481  -6.274
   95    HE2  TYR  12           2HE      TYR  12  -1.312 -11.142  -5.428
   96    HH   TYR  12           HH       TYR  12   1.062 -10.600  -7.874
   97    H    ASP  13           H        ASP  13   1.762  -8.811  -0.346
   98    HA   ASP  13           HA       ASP  13  -0.181  -9.791   1.628
   99   1HB   ASP  13          2HB       ASP  13   2.273  -8.817   2.365
  100   2HB   ASP  13          1HB       ASP  13   1.289  -7.357   2.402
  101    HA   PRO  14           HA       PRO  14  -1.788  -6.606  -1.415
  102   1HB   PRO  14          2HB       PRO  14  -4.244  -7.876  -1.587
  103   2HB   PRO  14          1HB       PRO  14  -2.893  -8.119  -2.699
  104   1HG   PRO  14          2HG       PRO  14  -3.731  -9.763  -0.346
  105   2HG   PRO  14          1HG       PRO  14  -3.154 -10.295  -1.938
  106   1HD   PRO  14          2HD       PRO  14  -1.543 -10.327   0.195
  107   2HD   PRO  14          1HD       PRO  14  -0.930  -9.874  -1.410
  108    H    VAL  15           H        VAL  15  -1.874  -5.023   0.227
  109    HA   VAL  15           HA       VAL  15  -4.256  -5.060   1.949
  110    HB   VAL  15           HB       VAL  15  -3.098  -3.548   3.397
  111   1HG1  VAL  15          1HG1      VAL  15  -2.176  -6.159   2.835
  112   2HG1  VAL  15          2HG1      VAL  15  -2.123  -5.285   4.367
  113   3HG1  VAL  15          3HG1      VAL  15  -0.774  -5.167   3.236
  114   1HG2  VAL  15          1HG2      VAL  15  -0.597  -3.098   2.791
  115   2HG2  VAL  15          2HG2      VAL  15  -1.874  -2.082   2.122
  116   3HG2  VAL  15          3HG2      VAL  15  -1.166  -3.366   1.143
  117    H    CYS  16           H        CYS  16  -5.785  -3.669   1.624
  118    HA   CYS  16           HA       CYS  16  -5.592  -1.773  -0.525
  119   1HB   CYS  16          2HB       CYS  16  -7.661  -3.145   0.843
  120   2HB   CYS  16          1HB       CYS  16  -7.946  -1.429   0.996
  121    H    GLY  17           H        GLY  17  -5.190   0.355  -0.357
  122   1HA   GLY  17          2HA       GLY  17  -4.981   1.397   2.392
  123   2HA   GLY  17          1HA       GLY  17  -3.945   1.902   1.073
  124    H    SER  18           H        SER  18  -5.532   3.432   2.906
  125    HA   SER  18           HA       SER  18  -7.886   4.493   1.991
  126   1HB   SER  18          2HB       SER  18  -6.517   5.061   4.120
  127   2HB   SER  18          1HB       SER  18  -5.716   6.262   3.106
  128    HG   SER  18           HG       SER  18  -7.477   7.441   3.096
  129    H    ASP  19           H        ASP  19  -8.031   4.616  -0.110
  130    HA   ASP  19           HA       ASP  19  -7.523   6.917  -1.504
  131   1HB   ASP  19          2HB       ASP  19  -5.093   6.074  -1.273
  132   2HB   ASP  19          1HB       ASP  19  -5.553   4.808  -2.406
  133    H    GLY  20           H        GLY  20  -7.871   3.471  -1.442
  134   1HA   GLY  20          2HA       GLY  20  -9.840   2.464  -2.367
  135   2HA   GLY  20          1HA       GLY  20  -9.769   3.639  -3.675
  136    H    ILE  21           H        ILE  21  -6.966   1.866  -2.422
  137    HA   ILE  21           HA       ILE  21  -7.063   0.210  -4.854
  138    HB   ILE  21           HB       ILE  21  -4.795   2.025  -4.090
  139   1HG1  ILE  21          2HG1      ILE  21  -6.594   2.943  -5.520
  140   2HG1  ILE  21          1HG1      ILE  21  -5.054   2.849  -6.370
  141   1HG2  ILE  21          1HG2      ILE  21  -4.782  -0.403  -5.854
  142   2HG2  ILE  21          2HG2      ILE  21  -3.659   0.031  -4.565
  143   3HG2  ILE  21          3HG2      ILE  21  -3.639   0.919  -6.088
  144   1HD1  ILE  21          1HD1      ILE  21  -6.488   0.428  -6.798
  145   2HD1  ILE  21          2HD1      ILE  21  -5.992   1.649  -7.968
  146   3HD1  ILE  21          3HD1      ILE  21  -7.544   1.797  -7.145
  147    H    THR  22           H        THR  22  -6.224  -1.774  -4.725
  148    HA   THR  22           HA       THR  22  -5.352  -2.709  -2.101
  149    HB   THR  22           HB       THR  22  -6.083  -4.190  -4.639
  150    HG1  THR  22           1HG      THR  22  -7.448  -4.403  -2.206
  151   1HG2  THR  22          1HG2      THR  22  -4.887  -5.878  -3.798
  152   2HG2  THR  22          2HG2      THR  22  -6.230  -6.042  -2.667
  153   3HG2  THR  22          3HG2      THR  22  -4.787  -5.143  -2.199
  154    H    TYR  23           H        TYR  23  -3.232  -2.652  -1.696
  155    HA   TYR  23           HA       TYR  23  -1.370  -2.739  -3.932
  156   1HB   TYR  23          2HB       TYR  23  -0.782  -2.053  -1.064
  157   2HB   TYR  23          1HB       TYR  23   0.178  -1.702  -2.492
  158    HD1  TYR  23           1HD      TYR  23  -0.684  -0.075  -4.193
  159    HD2  TYR  23           2HD      TYR  23  -2.565  -0.610  -0.416
  160    HE1  TYR  23           1HE      TYR  23  -1.870   2.056  -4.489
  161    HE2  TYR  23           2HE      TYR  23  -3.755   1.520  -0.704
  162    HH   TYR  23           HH       TYR  23  -3.093   3.645  -3.429
  163    H    GLY  24           H        GLY  24   0.104  -4.226  -4.235
  164   1HA   GLY  24          2HA       GLY  24  -0.145  -6.819  -3.331
  165   2HA   GLY  24          1HA       GLY  24   1.345  -6.153  -3.982
  166    H    ASN  25           H        ASN  25   1.391  -4.142  -1.816
  167    HA   ASN  25           HA       ASN  25   1.593  -5.480   0.657
  168   1HB   ASN  25          2HB       ASN  25   4.306  -4.609   0.127
  169   2HB   ASN  25          1HB       ASN  25   3.736  -6.157   0.740
  170   1HD2  ASN  25          1HD2      ASN  25   4.920  -7.549  -0.408
  171   2HD2  ASN  25          2HD2      ASN  25   4.931  -7.652  -2.132
  172    H    ALA  26           H        ALA  26   1.682  -4.057   2.291
  173    HA   ALA  26           HA       ALA  26   1.052  -1.396   1.846
  174   1HB   ALA  26          1HB       ALA  26   0.961  -1.157   4.124
  175   2HB   ALA  26          2HB       ALA  26   2.411  -2.124   4.393
  176   3HB   ALA  26          3HB       ALA  26   0.885  -2.915   3.999
  177    H    CYS  27           H        CYS  27   4.055  -2.989   1.775
  178    HA   CYS  27           HA       CYS  27   5.690  -0.671   2.291
  179   1HB   CYS  27          2HB       CYS  27   6.205  -3.484   1.390
  180   2HB   CYS  27          1HB       CYS  27   7.450  -2.260   1.207
  181    H    MET  28           H        MET  28   4.381  -2.418  -0.448
  182    HA   MET  28           HA       MET  28   6.004  -1.091  -2.381
  183   1HB   MET  28          2HB       MET  28   3.524  -2.793  -2.513
  184   2HB   MET  28          1HB       MET  28   4.272  -2.119  -3.957
  185   1HG   MET  28          2HG       MET  28   6.435  -3.232  -2.916
  186   2HG   MET  28          1HG       MET  28   5.234  -4.256  -2.134
  187   1HE   MET  28          1HE       MET  28   7.475  -3.687  -4.712
  188   2HE   MET  28          2HE       MET  28   6.997  -4.591  -6.149
  189   3HE   MET  28          3HE       MET  28   7.501  -5.449  -4.693
  190    H    LEU  29           H        LEU  29   2.758  -0.603  -1.124
  191    HA   LEU  29           HA       LEU  29   2.333   1.588  -2.935
  192   1HB   LEU  29          2HB       LEU  29   0.172   1.569  -2.283
  193   2HB   LEU  29          1HB       LEU  29   0.640  -0.074  -1.946
  194    HG   LEU  29           HG       LEU  29  -0.496   0.328  -0.051
  195   1HD1  LEU  29          1HD1      LEU  29   2.135   0.279   0.371
  196   2HD1  LEU  29          2HD1      LEU  29   0.941   0.379   1.663
  197   3HD1  LEU  29          3HD1      LEU  29   1.745   1.836   1.096
  198   1HD2  LEU  29          1HD2      LEU  29  -0.730   2.804  -1.010
  199   2HD2  LEU  29          2HD2      LEU  29   0.303   3.126   0.381
  200   3HD2  LEU  29          3HD2      LEU  29  -1.259   2.339   0.606
  201    H    LEU  30           H        LEU  30   3.810   1.145   0.123
  202    HA   LEU  30           HA       LEU  30   3.334   3.733   1.180
  203   1HB   LEU  30          2HB       LEU  30   4.934   3.259   2.766
  204   2HB   LEU  30          1HB       LEU  30   4.522   1.628   2.271
  205    HG   LEU  30           HG       LEU  30   6.497   1.933   0.600
  206   1HD1  LEU  30          1HD1      LEU  30   6.695   4.291   2.322
  207   2HD1  LEU  30          2HD1      LEU  30   7.401   3.982   0.736
  208   3HD1  LEU  30          3HD1      LEU  30   8.190   3.364   2.188
  209   1HD2  LEU  30          1HD2      LEU  30   6.283   0.969   3.292
  210   2HD2  LEU  30          2HD2      LEU  30   7.904   1.600   3.006
  211   3HD2  LEU  30          3HD2      LEU  30   7.249   0.343   1.957
  212    H    GLY  31           H        GLY  31   5.656   2.267  -1.014
  213   1HA   GLY  31          2HA       GLY  31   7.244   4.578  -1.435
  214   2HA   GLY  31          1HA       GLY  31   7.125   3.198  -2.519
  215    H    ALA  32           H        ALA  32   4.309   3.329  -2.845
  216    HA   ALA  32           HA       ALA  32   4.099   4.983  -5.076
  217   1HB   ALA  32          1HB       ALA  32   1.582   4.611  -4.701
  218   2HB   ALA  32          2HB       ALA  32   2.088   3.596  -3.351
  219   3HB   ALA  32          3HB       ALA  32   2.605   3.204  -4.989
  220    H    SER  33           H        SER  33   3.342   5.584  -1.701
  221    HA   SER  33           HA       SER  33   1.940   8.013  -2.119
  222   1HB   SER  33          2HB       SER  33   1.578   7.877   0.093
  223   2HB   SER  33          1HB       SER  33   2.483   6.365   0.063
  224    HG   SER  33           HG       SER  33   4.361   7.541   0.529
  225    H    CYS  34           H        CYS  34   5.279   7.317  -1.085
  226    HA   CYS  34           HA       CYS  34   6.126  10.012  -1.015
  227   1HB   CYS  34          2HB       CYS  34   7.480   8.477   0.129
  228   2HB   CYS  34          1HB       CYS  34   7.559   7.394  -1.250
  229    H    ARG  35           H        ARG  35   5.768   7.772  -3.665
  230    HA   ARG  35           HA       ARG  35   7.437   9.281  -5.462
  231   1HB   ARG  35          2HB       ARG  35   7.142   7.583  -6.956
  232   2HB   ARG  35          1HB       ARG  35   6.757   6.724  -5.473
  233   1HG   ARG  35          2HG       ARG  35   4.328   7.347  -5.960
  234   2HG   ARG  35          1HG       ARG  35   4.896   7.747  -7.582
  235   1HD   ARG  35          2HD       ARG  35   5.493   5.102  -6.297
  236   2HD   ARG  35          1HD       ARG  35   3.995   5.385  -7.183
  237    HE   ARG  35           HE       ARG  35   6.674   5.181  -8.285
  238   1HH1  ARG  35          1HH1      ARG  35   3.334   6.021  -8.804
  239   2HH1  ARG  35          2HH1      ARG  35   3.435   5.892 -10.528
  240   1HH2  ARG  35          1HH2      ARG  35   6.819   5.003 -10.549
  241   2HH2  ARG  35          2HH2      ARG  35   5.418   5.309 -11.522
  242    H    SER  36           H        SER  36   3.979   8.957  -4.851
  243    HA   SER  36           HA       SER  36   3.221  10.634  -7.048
  244   1HB   SER  36          2HB       SER  36   1.662   8.960  -6.270
  245   2HB   SER  36          1HB       SER  36   1.676   9.638  -4.645
  246    HG   SER  36           HG       SER  36   0.500  10.652  -6.987
  247    H    ASP  37           H        ASP  37   1.948  11.311  -3.868
  248    HA   ASP  37           HA       ASP  37   3.478  13.529  -3.168
  249   1HB   ASP  37          2HB       ASP  37   2.169  14.185  -5.430
  250   2HB   ASP  37          1HB       ASP  37   0.943  14.629  -4.246
  251    H    THR  38           H        THR  38   0.338  11.992  -3.223
  252    HA   THR  38           HA       THR  38  -0.371  13.151  -0.642
  253    HB   THR  38           HB       THR  38  -2.463  11.625  -1.113
  254    HG1  THR  38           1HG      THR  38  -1.776  12.095  -3.776
  255   1HG2  THR  38          1HG2      THR  38  -2.198  14.210  -1.287
  256   2HG2  THR  38          2HG2      THR  38  -3.595  13.404  -2.001
  257   3HG2  THR  38          3HG2      THR  38  -2.243  13.895  -3.022
  258    HA   PRO  39           HA       PRO  39   1.412   9.523   1.279
  259   1HB   PRO  39          2HB       PRO  39   0.784  10.226   3.832
  260   2HB   PRO  39          1HB       PRO  39   2.156  10.906   2.949
  261   1HG   PRO  39          2HG       PRO  39  -0.570  12.060   3.396
  262   2HG   PRO  39          1HG       PRO  39   1.012  12.858   3.483
  263   1HD   PRO  39          2HD       PRO  39  -0.605  13.085   1.330
  264   2HD   PRO  39          1HD       PRO  39   1.165  13.085   1.191
  265    H    ILE  40           H        ILE  40  -0.446   8.370   0.171
  266    HA   ILE  40           HA       ILE  40  -2.971   8.007   1.184
  267    HB   ILE  40           HB       ILE  40  -3.072   5.971   0.022
  268   1HG1  ILE  40          2HG1      ILE  40  -0.431   5.601   1.087
  269   2HG1  ILE  40          1HG1      ILE  40  -1.521   4.404   0.405
  270   1HG2  ILE  40          1HG2      ILE  40  -0.872   7.359  -1.464
  271   2HG2  ILE  40          2HG2      ILE  40  -2.463   8.095  -1.273
  272   3HG2  ILE  40          3HG2      ILE  40  -2.301   6.546  -2.103
  273   1HD1  ILE  40          1HD1      ILE  40   0.781   4.611  -0.627
  274   2HD1  ILE  40          2HD1      ILE  40   0.224   6.135  -1.313
  275   3HD1  ILE  40          3HD1      ILE  40  -0.589   4.628  -1.736
  276    H    GLU  41           H        GLU  41  -3.694   5.749   2.229
  277    HA   GLU  41           HA       GLU  41  -1.853   5.113   4.436
  278   1HB   GLU  41          2HB       GLU  41  -4.789   5.597   4.908
  279   2HB   GLU  41          1HB       GLU  41  -3.522   5.385   6.109
  280   1HG   GLU  41          2HG       GLU  41  -3.002   7.621   4.340
  281   2HG   GLU  41          1HG       GLU  41  -4.538   7.775   5.190
  282    H    LEU  42           H        LEU  42  -3.133   3.333   5.851
  283    HA   LEU  42           HA       LEU  42  -3.914   1.254   3.917
  284   1HB   LEU  42          2HB       LEU  42  -2.026   1.213   6.038
  285   2HB   LEU  42          1HB       LEU  42  -3.352   0.161   6.496
  286    HG   LEU  42           HG       LEU  42  -1.527  -1.042   5.337
  287   1HD1  LEU  42          1HD1      LEU  42  -4.333  -1.047   4.635
  288   2HD1  LEU  42          2HD1      LEU  42  -3.236  -2.398   4.920
  289   3HD1  LEU  42          3HD1      LEU  42  -3.323  -1.654   3.324
  290   1HD2  LEU  42          1HD2      LEU  42  -2.356   0.241   2.773
  291   2HD2  LEU  42          2HD2      LEU  42  -0.858  -0.597   3.182
  292   3HD2  LEU  42          3HD2      LEU  42  -1.151   1.033   3.789
  293    H    VAL  43           H        VAL  43  -5.911   0.371   4.073
  294    HA   VAL  43           HA       VAL  43  -7.495   1.157   6.424
  295    HB   VAL  43           HB       VAL  43  -8.076   2.429   4.393
  296   1HG1  VAL  43          1HG1      VAL  43  -8.258  -0.261   3.251
  297   2HG1  VAL  43          2HG1      VAL  43  -7.919   1.288   2.481
  298   3HG1  VAL  43          3HG1      VAL  43  -9.582   0.821   2.825
  299   1HG2  VAL  43          1HG2      VAL  43  -9.839   2.430   5.836
  300   2HG2  VAL  43          2HG2      VAL  43 -10.032   0.677   5.783
  301   3HG2  VAL  43          3HG2      VAL  43 -10.584   1.667   4.432
  302    H    HIS  44           H        HIS  44  -6.913  -1.333   4.007
  303    HA   HIS  44           HA       HIS  44  -8.153  -3.271   5.826
  304   1HB   HIS  44          2HB       HIS  44  -8.489  -3.682   2.889
  305   2HB   HIS  44          1HB       HIS  44  -9.489  -4.251   4.224
  306    HD1  HIS  44           1HD      HIS  44 -10.309  -1.742   5.600
  307    HD2  HIS  44           2HD      HIS  44 -10.067  -2.024   1.472
  308    HE1  HIS  44           1HE      HIS  44 -11.773   0.092   4.718
  309    HE2  HIS  44           2HE      HIS  44 -11.764  -0.223   2.218
  310    H    LYS  45           H        LYS  45  -7.123  -5.217   5.983
  311    HA   LYS  45           HA       LYS  45  -4.506  -5.379   4.702
  312   1HB   LYS  45          2HB       LYS  45  -5.424  -7.404   6.687
  313   2HB   LYS  45          1HB       LYS  45  -3.825  -6.716   6.449
  314   1HG   LYS  45          2HG       LYS  45  -4.164  -5.210   8.040
  315   2HG   LYS  45          1HG       LYS  45  -5.684  -4.690   7.311
  316   1HD   LYS  45          2HD       LYS  45  -6.557  -5.507   9.230
  317   2HD   LYS  45          1HD       LYS  45  -6.457  -7.042   8.365
  318   1HE   LYS  45          2HE       LYS  45  -4.185  -6.028  10.044
  319   2HE   LYS  45          1HE       LYS  45  -5.517  -6.944  10.747
  320   1HZ   LYS  45          1HZ       LYS  45  -4.724  -8.371   8.531
  321   2HZ   LYS  45          2HZ       LYS  45  -4.430  -8.764  10.149
  322   3HZ   LYS  45          3HZ       LYS  45  -3.283  -7.883   9.271
  323    H    GLY  46           H        GLY  46  -6.137  -5.815   2.721
  324   1HA   GLY  46          2HA       GLY  46  -5.568  -8.384   1.802
  325   2HA   GLY  46          1HA       GLY  46  -7.201  -8.417   2.449
  326    H    ARG  47           H        ARG  47  -8.284  -8.694   0.546
  327    HA   ARG  47           HA       ARG  47  -7.775  -6.877  -1.665
  328   1HB   ARG  47          2HB       ARG  47  -9.847  -9.066  -1.492
  329   2HB   ARG  47          1HB       ARG  47  -9.249  -8.276  -2.945
  330   1HG   ARG  47          2HG       ARG  47  -6.962  -9.205  -2.296
  331   2HG   ARG  47          1HG       ARG  47  -7.844 -10.238  -1.169
  332   1HD   ARG  47          2HD       ARG  47  -8.332 -10.086  -4.143
  333   2HD   ARG  47          1HD       ARG  47  -7.407 -11.347  -3.328
  334    HE   ARG  47           HE       ARG  47  -9.862 -11.316  -2.093
  335   1HH1  ARG  47          1HH1      ARG  47  -8.687 -11.792  -5.336
  336   2HH1  ARG  47          2HH1      ARG  47  -9.980 -12.851  -5.788
  337   1HH2  ARG  47          1HH2      ARG  47 -11.570 -12.707  -2.676
  338   2HH2  ARG  47          2HH2      ARG  47 -11.619 -13.371  -4.275
  339    H    CYS  48           H        CYS  48  -8.542  -5.254   0.188
  340    HA   CYS  48           HA       CYS  48 -10.111  -3.786   0.954
  341   1HB   CYS  48          2HB       CYS  48 -10.380  -4.067  -1.929
  342   2HB   CYS  48          1HB       CYS  48 -11.874  -3.515  -1.179
  Start of MODEL   16
    1   1H    LYS   1          1HT       LYS   1   3.512   9.082   6.984
    2   2H    LYS   1          2HT       LYS   1   5.078   9.729   7.257
    3   3H    LYS   1          3HT       LYS   1   4.172   9.087   8.566
    4    HA   LYS   1           HA       LYS   1   5.129   7.186   8.256
    5   1HB   LYS   1          2HB       LYS   1   3.273   7.507   6.023
    6   2HB   LYS   1          1HB       LYS   1   4.559   6.361   5.669
    7   1HG   LYS   1          2HG       LYS   1   2.359   5.523   6.735
    8   2HG   LYS   1          1HG       LYS   1   3.899   4.903   7.329
    9   1HD   LYS   1          2HD       LYS   1   3.134   7.317   8.720
   10   2HD   LYS   1          1HD       LYS   1   1.873   6.087   8.833
   11   1HE   LYS   1          2HE       LYS   1   3.227   4.611   9.963
   12   2HE   LYS   1          1HE       LYS   1   4.709   5.301   9.304
   13   1HZ   LYS   1          1HZ       LYS   1   4.887   6.294  11.276
   14   2HZ   LYS   1          2HZ       LYS   1   3.277   5.989  11.696
   15   3HZ   LYS   1          3HZ       LYS   1   3.663   7.339  10.751
   16    HA   PRO   2           HA       PRO   2   9.079   7.267   6.330
   17   1HB   PRO   2          2HB       PRO   2   8.607   4.675   4.984
   18   2HB   PRO   2          1HB       PRO   2   9.845   5.121   6.160
   19   1HG   PRO   2          2HG       PRO   2   7.793   3.550   6.841
   20   2HG   PRO   2          1HG       PRO   2   8.449   4.752   7.969
   21   1HD   PRO   2          2HD       PRO   2   5.966   4.869   6.302
   22   2HD   PRO   2          1HD       PRO   2   6.233   5.424   7.968
   23    H    ASP   3           H        ASP   3  10.110   6.318   4.017
   24    HA   ASP   3           HA       ASP   3   8.407   7.393   1.873
   25   1HB   ASP   3          2HB       ASP   3  11.350   8.014   2.229
   26   2HB   ASP   3          1HB       ASP   3  10.314   8.591   0.926
   27    H    CYS   4           H        CYS   4   9.254   6.818  -0.306
   28    HA   CYS   4           HA       CYS   4   9.196   4.290  -0.979
   29   1HB   CYS   4          2HB       CYS   4  11.500   5.356  -2.394
   30   2HB   CYS   4          1HB       CYS   4   9.924   4.887  -3.010
   31    HA   PRO   5           HA       PRO   5  12.658   2.306   1.008
   32   1HB   PRO   5          2HB       PRO   5  11.659  -0.155   0.964
   33   2HB   PRO   5          1HB       PRO   5  10.903   1.096   1.960
   34   1HG   PRO   5          2HG       PRO   5  10.006  -0.062  -0.629
   35   2HG   PRO   5          1HG       PRO   5   9.040   0.543   0.727
   36   1HD   PRO   5          2HD       PRO   5   9.711   1.933  -1.660
   37   2HD   PRO   5          1HD       PRO   5   8.900   2.593  -0.230
   38    H    LEU   6           H        LEU   6  13.461  -0.214   0.386
   39    HA   LEU   6           HA       LEU   6  14.153  -0.100  -2.473
   40   1HB   LEU   6          2HB       LEU   6  15.912   0.181  -0.311
   41   2HB   LEU   6          1HB       LEU   6  16.155  -1.456  -0.890
   42    HG   LEU   6           HG       LEU   6  16.666  -0.641  -3.119
   43   1HD1  LEU   6          1HD1      LEU   6  17.001   2.107  -2.814
   44   2HD1  LEU   6          2HD1      LEU   6  15.415   1.758  -2.124
   45   3HD1  LEU   6          3HD1      LEU   6  15.779   1.283  -3.783
   46   1HD2  LEU   6          1HD2      LEU   6  18.649   0.925  -2.398
   47   2HD2  LEU   6          2HD2      LEU   6  18.637  -0.782  -1.959
   48   3HD2  LEU   6          3HD2      LEU   6  18.159   0.434  -0.775
   49    H    ILE   7           H        ILE   7  12.063  -1.482  -2.187
   50    HA   ILE   7           HA       ILE   7  11.121  -3.519  -2.570
   51    HB   ILE   7           HB       ILE   7  13.984  -4.460  -2.595
   52   1HG1  ILE   7          2HG1      ILE   7  12.778  -4.668  -5.133
   53   2HG1  ILE   7          1HG1      ILE   7  12.328  -3.083  -4.510
   54   1HG2  ILE   7          1HG2      ILE   7  11.629  -5.972  -3.680
   55   2HG2  ILE   7          2HG2      ILE   7  12.206  -6.196  -2.029
   56   3HG2  ILE   7          3HG2      ILE   7  13.269  -6.551  -3.390
   57   1HD1  ILE   7          1HD1      ILE   7  15.168  -3.907  -4.296
   58   2HD1  ILE   7          2HD1      ILE   7  14.466  -2.310  -4.556
   59   3HD1  ILE   7          3HD1      ILE   7  14.541  -3.468  -5.884
   60    H    CYS   8           H        CYS   8   9.965  -4.075  -0.818
   61    HA   CYS   8           HA       CYS   8  11.229  -4.694   1.686
   62   1HB   CYS   8          2HB       CYS   8   8.693  -3.822   0.906
   63   2HB   CYS   8          1HB       CYS   8   8.461  -5.383   1.674
   64    H    THR   9           H        THR   9   8.719  -6.593   0.043
   65    HA   THR   9           HA       THR   9  10.386  -8.932  -0.038
   66    HB   THR   9           HB       THR   9   9.774  -8.873   2.350
   67    HG1  THR   9           1HG      THR   9   8.387 -10.956   1.035
   68   1HG2  THR   9          1HG2      THR   9   7.714  -7.877   2.585
   69   2HG2  THR   9          2HG2      THR   9   7.337  -9.584   2.811
   70   3HG2  THR   9          3HG2      THR   9   6.999  -8.803   1.266
   71    H    MET  10           H        MET  10   9.165 -10.876  -0.767
   72    HA   MET  10           HA       MET  10   7.110 -10.062  -2.693
   73   1HB   MET  10          2HB       MET  10   8.811 -12.561  -2.586
   74   2HB   MET  10          1HB       MET  10   7.640 -12.182  -3.843
   75   1HG   MET  10          2HG       MET  10  10.116 -10.593  -3.211
   76   2HG   MET  10          1HG       MET  10   9.923 -11.717  -4.555
   77   1HE   MET  10          1HE       MET  10   7.411 -11.419  -5.871
   78   2HE   MET  10          2HE       MET  10   6.780  -9.820  -6.271
   79   3HE   MET  10          3HE       MET  10   6.517 -10.495  -4.663
   80    H    GLN  11           H        GLN  11   6.720 -10.636   0.216
   81    HA   GLN  11           HA       GLN  11   5.192 -13.091   0.283
   82   1HB   GLN  11          2HB       GLN  11   6.084 -11.060   2.246
   83   2HB   GLN  11          1HB       GLN  11   4.561 -11.858   2.609
   84   1HG   GLN  11          2HG       GLN  11   6.133 -13.973   1.944
   85   2HG   GLN  11          1HG       GLN  11   7.298 -12.885   2.698
   86   1HE2  GLN  11          1HE2      GLN  11   4.669 -15.016   3.182
   87   2HE2  GLN  11          2HE2      GLN  11   4.580 -14.884   4.902
   88    H    TYR  12           H        TYR  12   4.015 -11.984  -1.638
   89    HA   TYR  12           HA       TYR  12   2.343 -10.054  -1.908
   90   1HB   TYR  12          2HB       TYR  12   2.175 -12.769  -2.677
   91   2HB   TYR  12          1HB       TYR  12   0.571 -12.275  -2.142
   92    HD1  TYR  12           1HD      TYR  12  -0.833 -11.452  -3.769
   93    HD2  TYR  12           2HD      TYR  12   3.358 -10.862  -4.206
   94    HE1  TYR  12           1HE      TYR  12  -1.221 -10.327  -5.921
   95    HE2  TYR  12           2HE      TYR  12   2.979  -9.735  -6.358
   96    HH   TYR  12           HH       TYR  12  -0.153  -8.800  -7.421
   97    H    ASP  13           H        ASP  13   1.786  -8.930  -0.115
   98    HA   ASP  13           HA       ASP  13  -0.424 -10.051   1.471
   99   1HB   ASP  13          2HB       ASP  13   2.074  -9.168   2.441
  100   2HB   ASP  13          1HB       ASP  13   0.927  -7.891   2.838
  101    HA   PRO  14           HA       PRO  14  -1.456  -6.377  -1.312
  102   1HB   PRO  14          2HB       PRO  14  -4.026  -7.497  -1.628
  103   2HB   PRO  14          1HB       PRO  14  -2.712  -7.522  -2.806
  104   1HG   PRO  14          2HG       PRO  14  -3.537  -9.601  -0.839
  105   2HG   PRO  14          1HG       PRO  14  -2.897  -9.795  -2.483
  106   1HD   PRO  14          2HD       PRO  14  -1.351 -10.262  -0.365
  107   2HD   PRO  14          1HD       PRO  14  -0.693  -9.427  -1.792
  108    H    VAL  15           H        VAL  15  -1.881  -4.669  -0.120
  109    HA   VAL  15           HA       VAL  15  -4.113  -4.788   1.781
  110    HB   VAL  15           HB       VAL  15  -2.839  -3.080   3.098
  111   1HG1  VAL  15          1HG1      VAL  15  -2.707  -5.800   3.195
  112   2HG1  VAL  15          2HG1      VAL  15  -2.033  -4.714   4.410
  113   3HG1  VAL  15          3HG1      VAL  15  -1.002  -5.356   3.132
  114   1HG2  VAL  15          1HG2      VAL  15  -1.265  -2.141   1.701
  115   2HG2  VAL  15          2HG2      VAL  15  -0.782  -3.699   1.030
  116   3HG2  VAL  15          3HG2      VAL  15  -0.282  -3.248   2.660
  117    H    CYS  16           H        CYS  16  -5.619  -3.344   1.504
  118    HA   CYS  16           HA       CYS  16  -5.427  -1.476  -0.664
  119   1HB   CYS  16          2HB       CYS  16  -7.489  -2.764   0.768
  120   2HB   CYS  16          1HB       CYS  16  -7.708  -1.042   0.964
  121    H    GLY  17           H        GLY  17  -4.826   0.589  -0.539
  122   1HA   GLY  17          2HA       GLY  17  -4.433   1.677   2.155
  123   2HA   GLY  17          1HA       GLY  17  -3.518   2.150   0.733
  124    H    SER  18           H        SER  18  -5.180   3.567   2.785
  125    HA   SER  18           HA       SER  18  -7.513   4.622   1.833
  126   1HB   SER  18          2HB       SER  18  -5.996   5.131   3.999
  127   2HB   SER  18          1HB       SER  18  -5.610   6.560   3.042
  128    HG   SER  18           HG       SER  18  -8.231   5.678   3.683
  129    H    ASP  19           H        ASP  19  -7.630   4.902  -0.243
  130    HA   ASP  19           HA       ASP  19  -7.087   7.262  -1.503
  131   1HB   ASP  19          2HB       ASP  19  -4.731   6.929  -1.415
  132   2HB   ASP  19          1HB       ASP  19  -4.879   5.236  -1.876
  133    H    GLY  20           H        GLY  20  -7.426   3.821  -1.625
  134   1HA   GLY  20          2HA       GLY  20  -9.323   2.869  -2.743
  135   2HA   GLY  20          1HA       GLY  20  -9.143   4.094  -3.992
  136    H    ILE  21           H        ILE  21  -6.425   2.310  -2.614
  137    HA   ILE  21           HA       ILE  21  -6.324   0.741  -5.107
  138    HB   ILE  21           HB       ILE  21  -4.057   2.374  -3.990
  139   1HG1  ILE  21          2HG1      ILE  21  -5.720   3.578  -5.387
  140   2HG1  ILE  21          1HG1      ILE  21  -4.127   3.515  -6.134
  141   1HG2  ILE  21          1HG2      ILE  21  -4.051   0.365  -6.239
  142   2HG2  ILE  21          2HG2      ILE  21  -3.227   0.202  -4.688
  143   3HG2  ILE  21          3HG2      ILE  21  -2.718   1.445  -5.832
  144   1HD1  ILE  21          1HD1      ILE  21  -5.379   1.277  -7.128
  145   2HD1  ILE  21          2HD1      ILE  21  -5.179   2.820  -7.959
  146   3HD1  ILE  21          3HD1      ILE  21  -6.665   2.483  -7.074
  147    H    THR  22           H        THR  22  -5.632  -1.290  -4.953
  148    HA   THR  22           HA       THR  22  -4.933  -2.307  -2.302
  149    HB   THR  22           HB       THR  22  -5.571  -3.818  -4.845
  150    HG1  THR  22           1HG      THR  22  -7.559  -4.232  -3.625
  151   1HG2  THR  22          1HG2      THR  22  -5.844  -5.759  -3.495
  152   2HG2  THR  22          2HG2      THR  22  -5.561  -4.836  -2.018
  153   3HG2  THR  22          3HG2      THR  22  -4.247  -5.086  -3.167
  154    H    TYR  23           H        TYR  23  -2.809  -1.870  -2.007
  155    HA   TYR  23           HA       TYR  23  -0.874  -2.202  -4.089
  156   1HB   TYR  23          2HB       TYR  23  -0.412  -1.718  -1.145
  157   2HB   TYR  23          1HB       TYR  23   0.699  -1.391  -2.469
  158    HD1  TYR  23           1HD      TYR  23  -2.387  -0.315  -0.805
  159    HD2  TYR  23           2HD      TYR  23   0.369   0.528  -3.935
  160    HE1  TYR  23           1HE      TYR  23  -3.422   1.893  -1.108
  161    HE2  TYR  23           2HE      TYR  23  -0.652   2.746  -4.239
  162    HH   TYR  23           HH       TYR  23  -3.223   3.900  -2.107
  163    H    GLY  24           H        GLY  24   0.807  -3.628  -4.186
  164   1HA   GLY  24          2HA       GLY  24   0.247  -6.306  -3.639
  165   2HA   GLY  24          1HA       GLY  24   1.841  -5.676  -4.031
  166    H    ASN  25           H        ASN  25   1.572  -3.882  -1.608
  167    HA   ASN  25           HA       ASN  25   1.407  -5.468   0.688
  168   1HB   ASN  25          2HB       ASN  25   4.100  -5.245  -0.592
  169   2HB   ASN  25          1HB       ASN  25   3.992  -5.229   1.164
  170   1HD2  ASN  25          1HD2      ASN  25   4.976  -7.179  -0.959
  171   2HD2  ASN  25          2HD2      ASN  25   4.284  -8.687  -0.480
  172    H    ALA  26           H        ALA  26   1.671  -4.278   2.573
  173    HA   ALA  26           HA       ALA  26   1.122  -1.572   2.484
  174   1HB   ALA  26          1HB       ALA  26   2.600  -2.866   4.766
  175   2HB   ALA  26          2HB       ALA  26   0.885  -3.146   4.463
  176   3HB   ALA  26          3HB       ALA  26   1.464  -1.519   4.825
  177    H    CYS  27           H        CYS  27   4.132  -3.257   2.292
  178    HA   CYS  27           HA       CYS  27   5.840  -1.034   2.838
  179   1HB   CYS  27          2HB       CYS  27   6.208  -3.781   1.720
  180   2HB   CYS  27          1HB       CYS  27   7.452  -2.582   1.409
  181    H    MET  28           H        MET  28   4.546  -2.587  -0.036
  182    HA   MET  28           HA       MET  28   5.911  -0.999  -1.919
  183   1HB   MET  28          2HB       MET  28   3.320  -2.551  -2.091
  184   2HB   MET  28          1HB       MET  28   4.157  -1.860  -3.477
  185   1HG   MET  28          2HG       MET  28   6.052  -3.380  -2.036
  186   2HG   MET  28          1HG       MET  28   4.595  -4.361  -2.174
  187   1HE   MET  28          1HE       MET  28   3.226  -4.296  -4.267
  188   2HE   MET  28          2HE       MET  28   3.960  -4.907  -5.750
  189   3HE   MET  28          3HE       MET  28   3.693  -3.175  -5.547
  190    H    LEU  29           H        LEU  29   3.378  -0.400   0.236
  191    HA   LEU  29           HA       LEU  29   2.055   1.629  -1.238
  192   1HB   LEU  29          2HB       LEU  29   1.677   0.248   1.196
  193   2HB   LEU  29          1HB       LEU  29   1.728   1.965   1.569
  194    HG   LEU  29           HG       LEU  29  -0.158   0.491  -0.204
  195   1HD1  LEU  29          1HD1      LEU  29  -1.643   0.904   1.398
  196   2HD1  LEU  29          2HD1      LEU  29  -1.175   2.602   1.489
  197   3HD1  LEU  29          3HD1      LEU  29  -0.279   1.389   2.405
  198   1HD2  LEU  29          1HD2      LEU  29   0.671   3.354  -0.326
  199   2HD2  LEU  29          2HD2      LEU  29  -0.995   2.913  -0.688
  200   3HD2  LEU  29          3HD2      LEU  29   0.325   2.232  -1.637
  201    H    LEU  30           H        LEU  30   4.235   1.717   1.584
  202    HA   LEU  30           HA       LEU  30   4.451   4.448   1.811
  203   1HB   LEU  30          2HB       LEU  30   6.616   4.123   2.828
  204   2HB   LEU  30          1HB       LEU  30   5.539   2.839   3.344
  205    HG   LEU  30           HG       LEU  30   6.894   1.906   1.045
  206   1HD1  LEU  30          1HD1      LEU  30   9.234   2.008   1.932
  207   2HD1  LEU  30          2HD1      LEU  30   8.684   3.239   3.066
  208   3HD1  LEU  30          3HD1      LEU  30   8.606   3.542   1.332
  209   1HD2  LEU  30          1HD2      LEU  30   7.730   1.055   3.757
  210   2HD2  LEU  30          2HD2      LEU  30   7.266   0.089   2.357
  211   3HD2  LEU  30          3HD2      LEU  30   6.027   0.870   3.339
  212    H    GLY  31           H        GLY  31   5.907   2.260  -0.513
  213   1HA   GLY  31          2HA       GLY  31   7.554   4.275  -1.753
  214   2HA   GLY  31          1HA       GLY  31   7.173   2.690  -2.415
  215    H    ALA  32           H        ALA  32   4.311   3.095  -2.107
  216    HA   ALA  32           HA       ALA  32   3.770   4.307  -4.623
  217   1HB   ALA  32          1HB       ALA  32   1.476   3.706  -4.216
  218   2HB   ALA  32          2HB       ALA  32   1.813   3.442  -2.505
  219   3HB   ALA  32          3HB       ALA  32   2.517   2.373  -3.718
  220    H    SER  33           H        SER  33   2.875   5.128  -1.286
  221    HA   SER  33           HA       SER  33   1.571   7.536  -1.857
  222   1HB   SER  33          2HB       SER  33   2.688   7.864   0.678
  223   2HB   SER  33          1HB       SER  33   1.104   7.184   0.306
  224    HG   SER  33           HG       SER  33   1.816   5.280   0.828
  225    H    CYS  34           H        CYS  34   4.959   6.782  -1.759
  226    HA   CYS  34           HA       CYS  34   5.799   9.498  -1.314
  227   1HB   CYS  34          2HB       CYS  34   7.928   8.677  -1.224
  228   2HB   CYS  34          1HB       CYS  34   7.054   7.182  -0.917
  229    H    ARG  35           H        ARG  35   5.412   7.374  -4.093
  230    HA   ARG  35           HA       ARG  35   6.193   9.561  -5.880
  231   1HB   ARG  35          2HB       ARG  35   6.869   8.007  -7.380
  232   2HB   ARG  35          1HB       ARG  35   6.934   6.977  -5.960
  233   1HG   ARG  35          2HG       ARG  35   4.584   7.149  -7.831
  234   2HG   ARG  35          1HG       ARG  35   5.848   5.923  -7.912
  235   1HD   ARG  35          2HD       ARG  35   4.976   4.759  -6.215
  236   2HD   ARG  35          1HD       ARG  35   4.665   6.208  -5.266
  237    HE   ARG  35           HE       ARG  35   2.505   6.168  -5.992
  238   1HH1  ARG  35          1HH1      ARG  35   4.440   4.223  -8.142
  239   2HH1  ARG  35          2HH1      ARG  35   3.078   3.617  -9.024
  240   1HH2  ARG  35          1HH2      ARG  35   0.708   5.375  -7.149
  241   2HH2  ARG  35          2HH2      ARG  35   0.958   4.274  -8.464
  242    H    SER  36           H        SER  36   3.471   8.746  -4.411
  243    HA   SER  36           HA       SER  36   1.662   8.673  -6.651
  244   1HB   SER  36          2HB       SER  36   1.082   7.451  -4.636
  245   2HB   SER  36          1HB       SER  36   1.157   8.927  -3.678
  246    HG   SER  36           HG       SER  36  -0.967   8.013  -4.692
  247    H    ASP  37           H        ASP  37   0.897  10.732  -3.949
  248    HA   ASP  37           HA       ASP  37   1.628  13.216  -4.986
  249   1HB   ASP  37          2HB       ASP  37  -0.857  13.857  -5.585
  250   2HB   ASP  37          1HB       ASP  37   0.198  13.126  -6.790
  251    H    THR  38           H        THR  38  -0.629  11.312  -3.104
  252    HA   THR  38           HA       THR  38  -0.619  13.427  -1.061
  253    HB   THR  38           HB       THR  38  -3.045  11.917  -0.885
  254    HG1  THR  38           1HG      THR  38  -3.285  11.576  -2.963
  255   1HG2  THR  38          1HG2      THR  38  -2.377  14.789  -1.389
  256   2HG2  THR  38          2HG2      THR  38  -3.089  14.044   0.043
  257   3HG2  THR  38          3HG2      THR  38  -4.042  14.209  -1.431
  258    HA   PRO  39           HA       PRO  39   0.814  10.433   1.823
  259   1HB   PRO  39          2HB       PRO  39  -1.246  11.557   3.658
  260   2HB   PRO  39          1HB       PRO  39   0.490  11.340   3.909
  261   1HG   PRO  39          2HG       PRO  39  -0.516  13.755   3.420
  262   2HG   PRO  39          1HG       PRO  39   1.037  13.256   2.724
  263   1HD   PRO  39          2HD       PRO  39  -1.642  13.480   1.423
  264   2HD   PRO  39          1HD       PRO  39  -0.030  13.824   0.760
  265    H    ILE  40           H        ILE  40   0.012   8.548   0.845
  266    HA   ILE  40           HA       ILE  40  -2.689   7.676   1.128
  267    HB   ILE  40           HB       ILE  40  -0.278   5.964   0.518
  268   1HG1  ILE  40          2HG1      ILE  40  -2.022   7.607  -1.328
  269   2HG1  ILE  40          1HG1      ILE  40  -0.297   7.814  -1.040
  270   1HG2  ILE  40          1HG2      ILE  40  -2.094   4.723  -0.813
  271   2HG2  ILE  40          2HG2      ILE  40  -3.234   5.616   0.194
  272   3HG2  ILE  40          3HG2      ILE  40  -2.060   4.531   0.940
  273   1HD1  ILE  40          1HD1      ILE  40   0.248   5.891  -2.238
  274   2HD1  ILE  40          2HD1      ILE  40  -1.023   6.658  -3.190
  275   3HD1  ILE  40          3HD1      ILE  40  -1.401   5.270  -2.168
  276    H    GLU  41           H        GLU  41  -3.409   5.805   2.345
  277    HA   GLU  41           HA       GLU  41  -1.742   5.180   4.693
  278   1HB   GLU  41          2HB       GLU  41  -4.595   6.145   4.716
  279   2HB   GLU  41          1HB       GLU  41  -3.898   5.258   6.064
  280   1HG   GLU  41          2HG       GLU  41  -2.241   7.483   5.193
  281   2HG   GLU  41          1HG       GLU  41  -3.850   7.979   5.715
  282    H    LEU  42           H        LEU  42  -3.180   3.456   6.069
  283    HA   LEU  42           HA       LEU  42  -3.899   1.341   4.146
  284   1HB   LEU  42          2HB       LEU  42  -1.952   1.318   6.198
  285   2HB   LEU  42          1HB       LEU  42  -3.257   0.274   6.731
  286    HG   LEU  42           HG       LEU  42  -1.364  -0.834   5.445
  287   1HD1  LEU  42          1HD1      LEU  42  -2.805  -2.475   5.020
  288   2HD1  LEU  42          2HD1      LEU  42  -3.700  -1.500   3.855
  289   3HD1  LEU  42          3HD1      LEU  42  -4.062  -1.372   5.577
  290   1HD2  LEU  42          1HD2      LEU  42  -0.861  -0.216   3.370
  291   2HD2  LEU  42          2HD2      LEU  42  -1.873   1.204   3.639
  292   3HD2  LEU  42          3HD2      LEU  42  -2.556  -0.235   2.879
  293    H    VAL  43           H        VAL  43  -5.744   0.141   4.506
  294    HA   VAL  43           HA       VAL  43  -7.327   0.801   6.885
  295    HB   VAL  43           HB       VAL  43  -8.698   0.614   4.227
  296   1HG1  VAL  43          1HG1      VAL  43  -9.375   1.905   6.868
  297   2HG1  VAL  43          2HG1      VAL  43 -10.101   0.455   6.175
  298   3HG1  VAL  43          3HG1      VAL  43 -10.365   2.023   5.413
  299   1HG2  VAL  43          1HG2      VAL  43  -6.868   2.390   4.214
  300   2HG2  VAL  43          2HG2      VAL  43  -7.843   3.237   5.416
  301   3HG2  VAL  43          3HG2      VAL  43  -8.503   2.916   3.812
  302    H    HIS  44           H        HIS  44  -6.798  -1.352   4.141
  303    HA   HIS  44           HA       HIS  44  -7.896  -3.540   5.765
  304   1HB   HIS  44          2HB       HIS  44  -8.359  -3.708   2.845
  305   2HB   HIS  44          1HB       HIS  44  -9.366  -4.256   4.182
  306    HD1  HIS  44           1HD      HIS  44 -10.238  -1.910   5.632
  307    HD2  HIS  44           2HD      HIS  44  -9.633  -1.738   1.525
  308    HE1  HIS  44           1HE      HIS  44 -11.556   0.078   4.841
  309    HE2  HIS  44           2HE      HIS  44 -11.244   0.112   2.341
  310    H    LYS  45           H        LYS  45  -6.768  -5.399   5.719
  311    HA   LYS  45           HA       LYS  45  -4.262  -5.389   4.221
  312   1HB   LYS  45          2HB       LYS  45  -5.220  -7.234   6.416
  313   2HB   LYS  45          1HB       LYS  45  -3.615  -7.246   5.697
  314   1HG   LYS  45          2HG       LYS  45  -2.934  -5.430   6.854
  315   2HG   LYS  45          1HG       LYS  45  -4.529  -4.674   6.818
  316   1HD   LYS  45          2HD       LYS  45  -5.275  -5.857   8.663
  317   2HD   LYS  45          1HD       LYS  45  -4.082  -7.140   8.447
  318   1HE   LYS  45          2HE       LYS  45  -2.811  -4.585   8.890
  319   2HE   LYS  45          1HE       LYS  45  -3.933  -4.975  10.193
  320   1HZ   LYS  45          1HZ       LYS  45  -1.498  -5.805  10.299
  321   2HZ   LYS  45          2HZ       LYS  45  -2.041  -7.020   9.253
  322   3HZ   LYS  45          3HZ       LYS  45  -2.751  -6.836  10.777
  323    H    GLY  46           H        GLY  46  -6.056  -5.725   2.386
  324   1HA   GLY  46          2HA       GLY  46  -5.548  -8.271   1.289
  325   2HA   GLY  46          1HA       GLY  46  -7.170  -8.257   1.965
  326    H    ARG  47           H        ARG  47  -8.300  -8.379   0.065
  327    HA   ARG  47           HA       ARG  47  -7.745  -6.461  -2.054
  328   1HB   ARG  47          2HB       ARG  47 -10.103  -8.250  -2.232
  329   2HB   ARG  47          1HB       ARG  47  -8.909  -7.838  -3.455
  330   1HG   ARG  47          2HG       ARG  47  -7.292  -9.326  -2.325
  331   2HG   ARG  47          1HG       ARG  47  -8.563  -9.792  -1.192
  332   1HD   ARG  47          2HD       ARG  47  -9.201 -11.363  -2.627
  333   2HD   ARG  47          1HD       ARG  47  -9.660 -10.090  -3.756
  334    HE   ARG  47           HE       ARG  47  -7.268 -11.726  -3.842
  335   1HH1  ARG  47          1HH1      ARG  47  -8.937  -8.902  -5.016
  336   2HH1  ARG  47          2HH1      ARG  47  -7.988  -8.783  -6.461
  337   1HH2  ARG  47          1HH2      ARG  47  -6.012 -11.575  -5.739
  338   2HH2  ARG  47          2HH2      ARG  47  -6.324 -10.303  -6.871
  339    H    CYS  48           H        CYS  48  -8.444  -5.009   0.034
  340    HA   CYS  48           HA       CYS  48  -9.904  -3.478   0.869
  341   1HB   CYS  48          2HB       CYS  48 -10.245  -3.584  -1.999
  342   2HB   CYS  48          1HB       CYS  48 -11.736  -3.083  -1.206
  Start of MODEL   17
    1   1H    LYS   1          1HT       LYS   1  14.138  14.008  -1.691
    2   2H    LYS   1          2HT       LYS   1  13.486  15.261  -0.715
    3   3H    LYS   1          3HT       LYS   1  13.506  15.422  -2.425
    4    HA   LYS   1           HA       LYS   1  11.629  14.160  -0.724
    5   1HB   LYS   1          2HB       LYS   1  11.713  15.854  -2.904
    6   2HB   LYS   1          1HB       LYS   1  11.128  14.349  -3.602
    7   1HG   LYS   1          2HG       LYS   1   9.908  15.736  -1.223
    8   2HG   LYS   1          1HG       LYS   1   9.315  15.849  -2.882
    9   1HD   LYS   1          2HD       LYS   1   9.141  13.311  -2.828
   10   2HD   LYS   1          1HD       LYS   1   9.384  13.437  -1.084
   11   1HE   LYS   1          2HE       LYS   1   7.290  15.124  -2.364
   12   2HE   LYS   1          1HE       LYS   1   6.966  13.405  -2.136
   13   1HZ   LYS   1          1HZ       LYS   1   8.029  14.867   0.153
   14   2HZ   LYS   1          2HZ       LYS   1   6.881  13.625   0.100
   15   3HZ   LYS   1          3HZ       LYS   1   6.433  15.209  -0.293
   16    HA   PRO   2           HA       PRO   2  13.441  10.265  -2.634
   17   1HB   PRO   2          2HB       PRO   2  13.868   8.934  -0.317
   18   2HB   PRO   2          1HB       PRO   2  15.061  10.034  -1.017
   19   1HG   PRO   2          2HG       PRO   2  13.096  10.527   1.188
   20   2HG   PRO   2          1HG       PRO   2  14.805  10.989   1.090
   21   1HD   PRO   2          2HD       PRO   2  12.787  12.725   0.578
   22   2HD   PRO   2          1HD       PRO   2  14.363  12.823  -0.233
   23    H    ASP   3           H        ASP   3  12.770   7.894  -1.606
   24    HA   ASP   3           HA       ASP   3   9.878   7.896  -1.829
   25   1HB   ASP   3          2HB       ASP   3  10.191   5.395  -1.906
   26   2HB   ASP   3          1HB       ASP   3  11.000   6.289  -3.188
   27    H    CYS   4           H        CYS   4   8.805   6.032  -0.402
   28    HA   CYS   4           HA       CYS   4   9.209   6.885   2.331
   29   1HB   CYS   4          2HB       CYS   4   7.135   5.156   1.055
   30   2HB   CYS   4          1HB       CYS   4   7.211   5.415   2.783
   31    HA   PRO   5           HA       PRO   5  10.483   2.350   2.791
   32   1HB   PRO   5          2HB       PRO   5   9.981   0.596   0.870
   33   2HB   PRO   5          1HB       PRO   5   8.651   1.323   1.776
   34   1HG   PRO   5          2HG       PRO   5   9.533   1.831  -1.006
   35   2HG   PRO   5          1HG       PRO   5   7.928   2.024  -0.286
   36   1HD   PRO   5          2HD       PRO   5   9.968   4.031  -0.699
   37   2HD   PRO   5          1HD       PRO   5   8.326   4.248  -0.059
   38    H    LEU   6           H        LEU   6  11.736   0.386   1.407
   39    HA   LEU   6           HA       LEU   6  13.689   1.344  -0.449
   40   1HB   LEU   6          2HB       LEU   6  15.611   0.666   1.127
   41   2HB   LEU   6          1HB       LEU   6  14.884   2.248   1.330
   42    HG   LEU   6           HG       LEU   6  13.475   0.428   3.004
   43   1HD1  LEU   6          1HD1      LEU   6  16.058   0.361   4.217
   44   2HD1  LEU   6          2HD1      LEU   6  16.141  -0.404   2.629
   45   3HD1  LEU   6          3HD1      LEU   6  14.978  -0.977   3.825
   46   1HD2  LEU   6          1HD2      LEU   6  13.822   2.891   3.263
   47   2HD2  LEU   6          2HD2      LEU   6  15.476   2.547   3.768
   48   3HD2  LEU   6          3HD2      LEU   6  14.120   1.950   4.725
   49    H    ILE   7           H        ILE   7  12.008  -0.574  -0.948
   50    HA   ILE   7           HA       ILE   7  11.869  -2.703  -1.743
   51    HB   ILE   7           HB       ILE   7  14.737  -2.894  -0.835
   52   1HG1  ILE   7          2HG1      ILE   7  14.008  -2.887  -3.701
   53   2HG1  ILE   7          1HG1      ILE   7  13.765  -1.369  -2.845
   54   1HG2  ILE   7          1HG2      ILE   7  13.623  -4.738  -2.871
   55   2HG2  ILE   7          2HG2      ILE   7  13.207  -5.040  -1.185
   56   3HG2  ILE   7          3HG2      ILE   7  14.899  -5.001  -1.682
   57   1HD1  ILE   7          1HD1      ILE   7  16.362  -2.843  -2.680
   58   2HD1  ILE   7          2HD1      ILE   7  16.029  -1.140  -2.367
   59   3HD1  ILE   7          3HD1      ILE   7  16.000  -1.756  -4.020
   60    H    CYS   8           H        CYS   8  10.597  -4.083  -0.681
   61    HA   CYS   8           HA       CYS   8  11.328  -4.795   2.068
   62   1HB   CYS   8          2HB       CYS   8   8.934  -3.769   1.051
   63   2HB   CYS   8          1HB       CYS   8   8.607  -5.438   1.484
   64    H    THR   9           H        THR   9   8.990  -6.440  -0.010
   65    HA   THR   9           HA       THR   9  10.695  -8.684  -0.491
   66    HB   THR   9           HB       THR   9  10.359  -9.137   1.827
   67    HG1  THR   9           1HG      THR   9  10.118 -11.080   1.050
   68   1HG2  THR   9          1HG2      THR   9   8.546  -7.862   2.528
   69   2HG2  THR   9          2HG2      THR   9   7.975  -9.525   2.662
   70   3HG2  THR   9          3HG2      THR   9   7.480  -8.529   1.293
   71    H    MET  10           H        MET  10   9.093 -10.698  -0.947
   72    HA   MET  10           HA       MET  10   7.092  -9.666  -2.842
   73   1HB   MET  10          2HB       MET  10   8.694 -12.230  -2.870
   74   2HB   MET  10          1HB       MET  10   7.388 -11.879  -3.992
   75   1HG   MET  10          2HG       MET  10   9.795 -10.108  -3.700
   76   2HG   MET  10          1HG       MET  10   9.735 -11.468  -4.820
   77   1HE   MET  10          1HE       MET  10   7.300 -10.911  -7.289
   78   2HE   MET  10          2HE       MET  10   8.738 -11.727  -6.673
   79   3HE   MET  10          3HE       MET  10   8.903 -10.329  -7.735
   80    H    GLN  11           H        GLN  11   6.957 -10.452   0.120
   81    HA   GLN  11           HA       GLN  11   5.311 -12.761   0.286
   82   1HB   GLN  11          2HB       GLN  11   6.326 -10.708   2.114
   83   2HB   GLN  11          1HB       GLN  11   4.712 -11.268   2.527
   84   1HG   GLN  11          2HG       GLN  11   5.461 -13.228   3.265
   85   2HG   GLN  11          1HG       GLN  11   6.530 -13.441   1.882
   86   1HE2  GLN  11          1HE2      GLN  11   6.480 -13.191   5.120
   87   2HE2  GLN  11          2HE2      GLN  11   8.069 -12.577   5.405
   88    H    TYR  12           H        TYR  12   4.132 -11.757  -1.681
   89    HA   TYR  12           HA       TYR  12   2.424  -9.834  -1.988
   90   1HB   TYR  12          2HB       TYR  12   2.379 -12.557  -2.760
   91   2HB   TYR  12          1HB       TYR  12   0.743 -12.121  -2.276
   92    HD1  TYR  12           1HD      TYR  12   0.743  -9.243  -3.111
   93    HD2  TYR  12           2HD      TYR  12   2.158 -12.731  -5.096
   94    HE1  TYR  12           1HE      TYR  12   0.382  -8.147  -5.282
   95    HE2  TYR  12           2HE      TYR  12   1.802 -11.643  -7.272
   96    HH   TYR  12           HH       TYR  12   0.133  -9.643  -8.077
   97    H    ASP  13           H        ASP  13   1.666  -8.703  -0.285
   98    HA   ASP  13           HA       ASP  13  -0.535  -9.936   1.221
   99   1HB   ASP  13          2HB       ASP  13   1.918  -9.051   2.337
  100   2HB   ASP  13          1HB       ASP  13   0.701  -7.858   2.781
  101    HA   PRO  14           HA       PRO  14  -1.580  -6.185  -1.406
  102   1HB   PRO  14          2HB       PRO  14  -4.147  -7.257  -1.781
  103   2HB   PRO  14          1HB       PRO  14  -2.807  -7.319  -2.929
  104   1HG   PRO  14          2HG       PRO  14  -3.721  -9.371  -0.966
  105   2HG   PRO  14          1HG       PRO  14  -3.085  -9.588  -2.609
  106   1HD   PRO  14          2HD       PRO  14  -1.560 -10.097  -0.485
  107   2HD   PRO  14          1HD       PRO  14  -0.874  -9.296  -1.918
  108    H    VAL  15           H        VAL  15  -1.808  -4.616   0.059
  109    HA   VAL  15           HA       VAL  15  -4.043  -4.760   1.956
  110    HB   VAL  15           HB       VAL  15  -2.837  -3.005   3.194
  111   1HG1  VAL  15          1HG1      VAL  15  -0.705  -4.523   3.623
  112   2HG1  VAL  15          2HG1      VAL  15  -1.651  -5.668   2.673
  113   3HG1  VAL  15          3HG1      VAL  15  -2.316  -4.998   4.162
  114   1HG2  VAL  15          1HG2      VAL  15  -1.629  -1.866   1.520
  115   2HG2  VAL  15          2HG2      VAL  15  -0.819  -3.343   1.000
  116   3HG2  VAL  15          3HG2      VAL  15  -0.420  -2.621   2.557
  117    H    CYS  16           H        CYS  16  -5.685  -3.481   1.688
  118    HA   CYS  16           HA       CYS  16  -5.754  -1.631  -0.500
  119   1HB   CYS  16          2HB       CYS  16  -7.618  -3.105   1.012
  120   2HB   CYS  16          1HB       CYS  16  -8.000  -1.413   1.225
  121    H    GLY  17           H        GLY  17  -5.047   0.391  -0.365
  122   1HA   GLY  17          2HA       GLY  17  -4.860   1.596   2.296
  123   2HA   GLY  17          1HA       GLY  17  -3.938   2.089   0.889
  124    H    SER  18           H        SER  18  -5.740   3.446   2.852
  125    HA   SER  18           HA       SER  18  -8.113   4.298   1.789
  126   1HB   SER  18          2HB       SER  18  -7.075   4.875   4.064
  127   2HB   SER  18          1HB       SER  18  -6.234   6.175   3.218
  128    HG   SER  18           HG       SER  18  -8.010   7.235   3.607
  129    H    ASP  19           H        ASP  19  -8.119   4.545  -0.307
  130    HA   ASP  19           HA       ASP  19  -7.708   7.000  -1.486
  131   1HB   ASP  19          2HB       ASP  19  -5.260   5.534  -1.275
  132   2HB   ASP  19          1HB       ASP  19  -5.722   5.589  -2.973
  133    H    GLY  20           H        GLY  20  -7.854   3.544  -1.732
  134   1HA   GLY  20          2HA       GLY  20  -9.778   2.621  -2.911
  135   2HA   GLY  20          1HA       GLY  20  -9.477   3.811  -4.173
  136    H    ILE  21           H        ILE  21  -6.799   2.182  -2.624
  137    HA   ILE  21           HA       ILE  21  -6.582   0.448  -5.002
  138    HB   ILE  21           HB       ILE  21  -4.636   2.487  -4.066
  139   1HG1  ILE  21          2HG1      ILE  21  -4.197   2.642  -6.486
  140   2HG1  ILE  21          1HG1      ILE  21  -5.286   1.286  -6.764
  141   1HG2  ILE  21          1HG2      ILE  21  -3.761  -0.138  -5.266
  142   2HG2  ILE  21          2HG2      ILE  21  -3.346   0.478  -3.667
  143   3HG2  ILE  21          3HG2      ILE  21  -2.745   1.295  -5.110
  144   1HD1  ILE  21          1HD1      ILE  21  -6.501   3.452  -5.251
  145   2HD1  ILE  21          2HD1      ILE  21  -7.085   2.583  -6.672
  146   3HD1  ILE  21          3HD1      ILE  21  -5.958   3.926  -6.859
  147    H    THR  22           H        THR  22  -5.279  -1.379  -4.815
  148    HA   THR  22           HA       THR  22  -4.895  -2.323  -2.048
  149    HB   THR  22           HB       THR  22  -5.543  -3.869  -4.567
  150    HG1  THR  22           1HG      THR  22  -6.997  -3.938  -2.170
  151   1HG2  THR  22          1HG2      THR  22  -5.162  -5.852  -3.565
  152   2HG2  THR  22          2HG2      THR  22  -5.504  -5.230  -1.951
  153   3HG2  THR  22          3HG2      THR  22  -3.946  -4.904  -2.710
  154    H    TYR  23           H        TYR  23  -2.794  -1.820  -1.692
  155    HA   TYR  23           HA       TYR  23  -0.804  -2.121  -3.720
  156   1HB   TYR  23          2HB       TYR  23  -0.402  -1.565  -0.782
  157   2HB   TYR  23          1HB       TYR  23   0.704  -1.209  -2.103
  158    HD1  TYR  23           1HD      TYR  23  -2.468  -0.261  -0.513
  159    HD2  TYR  23           2HD      TYR  23   0.324   0.674  -3.586
  160    HE1  TYR  23           1HE      TYR  23  -3.603   1.891  -0.882
  161    HE2  TYR  23           2HE      TYR  23  -0.797   2.835  -3.948
  162    HH   TYR  23           HH       TYR  23  -2.802   4.246  -1.864
  163    H    GLY  24           H        GLY  24   0.649  -3.618  -4.010
  164   1HA   GLY  24          2HA       GLY  24   0.261  -6.249  -3.379
  165   2HA   GLY  24          1HA       GLY  24   1.835  -5.581  -3.785
  166    H    ASN  25           H        ASN  25   1.593  -3.806  -1.391
  167    HA   ASN  25           HA       ASN  25   1.457  -5.333   0.944
  168   1HB   ASN  25          2HB       ASN  25   4.146  -5.183  -0.364
  169   2HB   ASN  25          1HB       ASN  25   4.036  -5.177   1.391
  170   1HD2  ASN  25          1HD2      ASN  25   5.171  -7.146  -0.461
  171   2HD2  ASN  25          2HD2      ASN  25   4.373  -8.636  -0.104
  172    H    ALA  26           H        ALA  26   1.963  -4.136   2.827
  173    HA   ALA  26           HA       ALA  26   1.412  -1.429   2.727
  174   1HB   ALA  26          1HB       ALA  26   3.054  -1.876   4.999
  175   2HB   ALA  26          2HB       ALA  26   2.089  -3.329   4.737
  176   3HB   ALA  26          3HB       ALA  26   1.296  -1.765   4.925
  177    H    CYS  27           H        CYS  27   4.391  -3.155   2.317
  178    HA   CYS  27           HA       CYS  27   6.131  -0.895   2.593
  179   1HB   CYS  27          2HB       CYS  27   6.515  -3.615   1.339
  180   2HB   CYS  27          1HB       CYS  27   7.789  -2.419   1.511
  181    H    MET  28           H        MET  28   4.639  -2.657  -0.063
  182    HA   MET  28           HA       MET  28   5.860  -1.244  -2.162
  183   1HB   MET  28          2HB       MET  28   3.212  -2.696  -1.999
  184   2HB   MET  28          1HB       MET  28   3.918  -2.100  -3.496
  185   1HG   MET  28          2HG       MET  28   5.948  -3.579  -2.299
  186   2HG   MET  28          1HG       MET  28   4.483  -4.519  -2.026
  187   1HE   MET  28          1HE       MET  28   6.969  -5.367  -5.232
  188   2HE   MET  28          2HE       MET  28   6.184  -6.405  -4.043
  189   3HE   MET  28          3HE       MET  28   7.135  -5.018  -3.511
  190    H    LEU  29           H        LEU  29   3.387  -0.524   0.088
  191    HA   LEU  29           HA       LEU  29   2.065   1.528  -1.318
  192   1HB   LEU  29          2HB       LEU  29   1.933   0.321   1.245
  193   2HB   LEU  29          1HB       LEU  29   2.083   2.054   1.477
  194    HG   LEU  29           HG       LEU  29  -0.065   0.549   0.041
  195   1HD1  LEU  29          1HD1      LEU  29  -1.514   1.608   1.578
  196   2HD1  LEU  29          2HD1      LEU  29  -0.242   2.704   2.121
  197   3HD1  LEU  29          3HD1      LEU  29  -0.153   0.986   2.511
  198   1HD2  LEU  29          1HD2      LEU  29  -0.962   2.823  -0.549
  199   2HD2  LEU  29          2HD2      LEU  29   0.452   2.316  -1.466
  200   3HD2  LEU  29          3HD2      LEU  29   0.626   3.471  -0.151
  201    H    LEU  30           H        LEU  30   4.594   1.602   1.180
  202    HA   LEU  30           HA       LEU  30   5.101   4.252   1.360
  203   1HB   LEU  30          2HB       LEU  30   6.954   1.883   1.282
  204   2HB   LEU  30          1HB       LEU  30   7.561   3.500   1.577
  205    HG   LEU  30           HG       LEU  30   5.546   3.366   3.368
  206   1HD1  LEU  30          1HD1      LEU  30   5.505   0.842   2.596
  207   2HD1  LEU  30          2HD1      LEU  30   5.230   1.303   4.275
  208   3HD1  LEU  30          3HD1      LEU  30   6.815   0.717   3.768
  209   1HD2  LEU  30          1HD2      LEU  30   7.382   4.125   4.401
  210   2HD2  LEU  30          2HD2      LEU  30   8.453   3.137   3.407
  211   3HD2  LEU  30          3HD2      LEU  30   7.671   2.438   4.824
  212    H    GLY  31           H        GLY  31   6.051   2.036  -1.202
  213   1HA   GLY  31          2HA       GLY  31   7.610   3.936  -2.656
  214   2HA   GLY  31          1HA       GLY  31   6.935   2.446  -3.307
  215    H    ALA  32           H        ALA  32   4.240   3.149  -2.522
  216    HA   ALA  32           HA       ALA  32   3.522   4.680  -4.849
  217   1HB   ALA  32          1HB       ALA  32   2.340   2.622  -3.998
  218   2HB   ALA  32          2HB       ALA  32   1.309   3.994  -4.405
  219   3HB   ALA  32          3HB       ALA  32   1.683   3.639  -2.717
  220    H    SER  33           H        SER  33   3.230   5.084  -1.331
  221    HA   SER  33           HA       SER  33   1.808   7.486  -1.350
  222   1HB   SER  33          2HB       SER  33   2.555   5.820   0.604
  223   2HB   SER  33          1HB       SER  33   3.813   7.039   0.801
  224    HG   SER  33           HG       SER  33   2.346   8.089   1.868
  225    H    CYS  34           H        CYS  34   5.316   6.911  -1.095
  226    HA   CYS  34           HA       CYS  34   5.895   9.713  -1.137
  227   1HB   CYS  34          2HB       CYS  34   7.536   7.221  -1.205
  228   2HB   CYS  34          1HB       CYS  34   8.284   8.762  -1.614
  229    H    ARG  35           H        ARG  35   5.540   7.301  -3.653
  230    HA   ARG  35           HA       ARG  35   6.816   9.066  -5.601
  231   1HB   ARG  35          2HB       ARG  35   5.669   6.290  -5.880
  232   2HB   ARG  35          1HB       ARG  35   6.360   7.205  -7.210
  233   1HG   ARG  35          2HG       ARG  35   7.734   6.045  -4.820
  234   2HG   ARG  35          1HG       ARG  35   8.094   5.823  -6.534
  235   1HD   ARG  35          2HD       ARG  35   8.667   8.181  -4.776
  236   2HD   ARG  35          1HD       ARG  35   9.780   7.253  -5.780
  237    HE   ARG  35           HE       ARG  35   7.987   8.374  -7.529
  238   1HH1  ARG  35          1HH1      ARG  35  10.233   9.542  -5.139
  239   2HH1  ARG  35          2HH1      ARG  35  10.500  11.054  -5.940
  240   1HH2  ARG  35          1HH2      ARG  35   8.331  10.363  -8.595
  241   2HH2  ARG  35          2HH2      ARG  35   9.419  11.521  -7.905
  242    H    SER  36           H        SER  36   3.710   8.496  -4.382
  243    HA   SER  36           HA       SER  36   2.280   9.060  -6.810
  244   1HB   SER  36          2HB       SER  36   1.230   7.670  -5.125
  245   2HB   SER  36          1HB       SER  36   1.367   8.953  -3.926
  246    HG   SER  36           HG       SER  36  -0.589   9.376  -4.619
  247    H    ASP  37           H        ASP  37   1.457  10.795  -3.903
  248    HA   ASP  37           HA       ASP  37   2.641  13.260  -4.418
  249   1HB   ASP  37          2HB       ASP  37   0.660  12.710  -6.309
  250   2HB   ASP  37          1HB       ASP  37  -0.120  13.788  -5.156
  251    H    THR  38           H        THR  38  -0.146  11.495  -3.261
  252    HA   THR  38           HA       THR  38  -0.246  13.270  -0.913
  253    HB   THR  38           HB       THR  38  -2.658  11.688  -1.483
  254    HG1  THR  38           1HG      THR  38  -3.232  13.413  -3.085
  255   1HG2  THR  38          1HG2      THR  38  -2.829  14.604  -1.326
  256   2HG2  THR  38          2HG2      THR  38  -2.122  13.823   0.088
  257   3HG2  THR  38          3HG2      THR  38  -3.731  13.359  -0.464
  258    HA   PRO  39           HA       PRO  39   1.092   9.683   1.340
  259   1HB   PRO  39          2HB       PRO  39  -0.267  11.085   3.580
  260   2HB   PRO  39          1HB       PRO  39   1.390  10.481   3.469
  261   1HG   PRO  39          2HG       PRO  39   0.864  13.093   3.306
  262   2HG   PRO  39          1HG       PRO  39   2.133  12.347   2.317
  263   1HD   PRO  39          2HD       PRO  39  -0.610  13.228   1.535
  264   2HD   PRO  39          1HD       PRO  39   0.904  13.298   0.612
  265    H    ILE  40           H        ILE  40  -0.371   8.159   0.411
  266    HA   ILE  40           HA       ILE  40  -3.101   8.004   1.120
  267    HB   ILE  40           HB       ILE  40  -3.166   5.954  -0.008
  268   1HG1  ILE  40          2HG1      ILE  40  -1.497   4.695   1.161
  269   2HG1  ILE  40          1HG1      ILE  40  -1.078   4.663  -0.548
  270   1HG2  ILE  40          1HG2      ILE  40  -2.688   6.852  -1.977
  271   2HG2  ILE  40          2HG2      ILE  40  -0.956   6.707  -1.670
  272   3HG2  ILE  40          3HG2      ILE  40  -1.831   8.139  -1.128
  273   1HD1  ILE  40          1HD1      ILE  40   0.151   6.510   1.480
  274   2HD1  ILE  40          2HD1      ILE  40   0.623   6.325  -0.209
  275   3HD1  ILE  40          3HD1      ILE  40   0.862   4.994   0.924
  276    H    GLU  41           H        GLU  41  -4.027   6.032   2.275
  277    HA   GLU  41           HA       GLU  41  -2.374   5.425   4.645
  278   1HB   GLU  41          2HB       GLU  41  -5.365   5.628   4.784
  279   2HB   GLU  41          1HB       GLU  41  -4.187   5.739   6.087
  280   1HG   GLU  41          2HG       GLU  41  -3.438   7.903   5.212
  281   2HG   GLU  41          1HG       GLU  41  -4.649   7.793   3.935
  282    H    LEU  42           H        LEU  42  -3.706   3.610   5.963
  283    HA   LEU  42           HA       LEU  42  -4.272   1.439   4.055
  284   1HB   LEU  42          2HB       LEU  42  -2.230   1.572   6.016
  285   2HB   LEU  42          1HB       LEU  42  -3.413   0.411   6.589
  286    HG   LEU  42           HG       LEU  42  -1.412  -0.389   5.123
  287   1HD1  LEU  42          1HD1      LEU  42  -2.554  -2.297   4.937
  288   2HD1  LEU  42          2HD1      LEU  42  -3.849  -1.544   4.006
  289   3HD1  LEU  42          3HD1      LEU  42  -3.848  -1.429   5.765
  290   1HD2  LEU  42          1HD2      LEU  42  -2.146   1.389   3.357
  291   2HD2  LEU  42          2HD2      LEU  42  -3.295   0.141   2.872
  292   3HD2  LEU  42          3HD2      LEU  42  -1.563  -0.192   2.837
  293    H    VAL  43           H        VAL  43  -6.110   0.293   4.368
  294    HA   VAL  43           HA       VAL  43  -7.667   0.927   6.786
  295    HB   VAL  43           HB       VAL  43  -9.099   0.071   4.335
  296   1HG1  VAL  43          1HG1      VAL  43  -9.666   2.131   6.464
  297   2HG1  VAL  43          2HG1      VAL  43 -10.293   0.484   6.422
  298   3HG1  VAL  43          3HG1      VAL  43 -10.772   1.641   5.182
  299   1HG2  VAL  43          1HG2      VAL  43  -7.821   1.624   3.200
  300   2HG2  VAL  43          2HG2      VAL  43  -7.641   2.665   4.612
  301   3HG2  VAL  43          3HG2      VAL  43  -9.178   2.606   3.751
  302    H    HIS  44           H        HIS  44  -7.134  -1.549   4.291
  303    HA   HIS  44           HA       HIS  44  -7.487  -3.604   6.327
  304   1HB   HIS  44          2HB       HIS  44  -8.890  -4.530   4.019
  305   2HB   HIS  44          1HB       HIS  44  -9.500  -4.298   5.654
  306    HD1  HIS  44           1HD      HIS  44 -10.697  -2.024   6.156
  307    HD2  HIS  44           2HD      HIS  44  -9.637  -2.594   2.178
  308    HE1  HIS  44           1HE      HIS  44 -11.949  -0.264   4.867
  309    HE2  HIS  44           2HE      HIS  44 -11.301  -0.634   2.461
  310    H    LYS  45           H        LYS  45  -5.989  -5.123   6.113
  311    HA   LYS  45           HA       LYS  45  -4.174  -5.079   3.902
  312   1HB   LYS  45          2HB       LYS  45  -4.400  -7.048   6.186
  313   2HB   LYS  45          1HB       LYS  45  -3.045  -6.925   5.072
  314   1HG   LYS  45          2HG       LYS  45  -2.910  -4.474   5.903
  315   2HG   LYS  45          1HG       LYS  45  -3.867  -5.069   7.260
  316   1HD   LYS  45          2HD       LYS  45  -2.139  -6.845   7.596
  317   2HD   LYS  45          1HD       LYS  45  -1.160  -6.047   6.363
  318   1HE   LYS  45          2HE       LYS  45  -1.052  -4.034   7.699
  319   2HE   LYS  45          1HE       LYS  45  -2.136  -4.739   8.899
  320   1HZ   LYS  45          1HZ       LYS  45   0.628  -5.598   8.252
  321   2HZ   LYS  45          2HZ       LYS  45  -0.418  -6.490   9.238
  322   3HZ   LYS  45          3HZ       LYS  45   0.069  -4.939   9.707
  323    H    GLY  46           H        GLY  46  -6.066  -5.498   2.360
  324   1HA   GLY  46          2HA       GLY  46  -5.810  -8.116   1.330
  325   2HA   GLY  46          1HA       GLY  46  -7.348  -7.960   2.166
  326    H    ARG  47           H        ARG  47  -8.182  -8.419  -0.027
  327    HA   ARG  47           HA       ARG  47  -7.933  -6.309  -1.986
  328   1HB   ARG  47          2HB       ARG  47  -9.905  -8.576  -2.110
  329   2HB   ARG  47          1HB       ARG  47  -9.156  -7.699  -3.438
  330   1HG   ARG  47          2HG       ARG  47  -6.960  -8.722  -2.313
  331   2HG   ARG  47          1HG       ARG  47  -8.130  -9.953  -1.831
  332   1HD   ARG  47          2HD       ARG  47  -7.998 -10.844  -3.862
  333   2HD   ARG  47          1HD       ARG  47  -8.633  -9.348  -4.542
  334    HE   ARG  47           HE       ARG  47  -5.771  -9.456  -4.008
  335   1HH1  ARG  47          1HH1      ARG  47  -8.356  -9.674  -6.342
  336   2HH1  ARG  47          2HH1      ARG  47  -7.325  -9.374  -7.699
  337   1HH2  ARG  47          1HH2      ARG  47  -4.411  -9.066  -5.794
  338   2HH2  ARG  47          2HH2      ARG  47  -5.085  -9.033  -7.390
  339    H    CYS  48           H        CYS  48  -8.823  -5.065   0.153
  340    HA   CYS  48           HA       CYS  48 -10.517  -3.876   1.127
  341   1HB   CYS  48          2HB       CYS  48 -10.787  -3.691  -1.803
  342   2HB   CYS  48          1HB       CYS  48 -12.180  -3.138  -0.878
  Start of MODEL   18
    1   1H    LYS   1          1HT       LYS   1   2.197  11.204   8.157
    2   2H    LYS   1          2HT       LYS   1   2.731  12.795   8.519
    3   3H    LYS   1          3HT       LYS   1   3.748  11.452   8.844
    4    HA   LYS   1           HA       LYS   1   2.804  11.900   6.131
    5   1HB   LYS   1          2HB       LYS   1   4.137  13.870   7.646
    6   2HB   LYS   1          1HB       LYS   1   5.359  13.150   6.606
    7   1HG   LYS   1          2HG       LYS   1   4.015  13.629   4.647
    8   2HG   LYS   1          1HG       LYS   1   2.733  14.286   5.667
    9   1HD   LYS   1          2HD       LYS   1   4.022  16.104   4.751
   10   2HD   LYS   1          1HD       LYS   1   4.325  16.000   6.486
   11   1HE   LYS   1          2HE       LYS   1   6.481  15.299   6.208
   12   2HE   LYS   1          1HE       LYS   1   6.140  14.507   4.670
   13   1HZ   LYS   1          1HZ       LYS   1   6.969  17.222   5.202
   14   2HZ   LYS   1          2HZ       LYS   1   5.717  17.090   4.072
   15   3HZ   LYS   1          3HZ       LYS   1   7.178  16.277   3.814
   16    HA   PRO   2           HA       PRO   2   5.474   8.156   6.802
   17   1HB   PRO   2          2HB       PRO   2   4.305   6.854   4.662
   18   2HB   PRO   2          1HB       PRO   2   3.772   6.713   6.339
   19   1HG   PRO   2          2HG       PRO   2   2.680   8.415   4.137
   20   2HG   PRO   2          1HG       PRO   2   1.813   7.508   5.391
   21   1HD   PRO   2          2HD       PRO   2   2.149  10.164   5.560
   22   2HD   PRO   2          1HD       PRO   2   2.198   9.129   7.004
   23    H    ASP   3           H        ASP   3   6.490   6.834   4.787
   24    HA   ASP   3           HA       ASP   3   7.096   8.305   2.451
   25   1HB   ASP   3          2HB       ASP   3   8.462   9.293   4.615
   26   2HB   ASP   3          1HB       ASP   3   9.614   8.134   3.956
   27    H    CYS   4           H        CYS   4   8.566   7.232   1.061
   28    HA   CYS   4           HA       CYS   4   8.326   4.657   0.575
   29   1HB   CYS   4          2HB       CYS   4  11.133   5.016   0.246
   30   2HB   CYS   4          1HB       CYS   4   9.877   5.079  -0.980
   31    HA   PRO   5           HA       PRO   5  10.187   2.373   3.876
   32   1HB   PRO   5          2HB       PRO   5   9.834  -0.079   2.905
   33   2HB   PRO   5          1HB       PRO   5   8.445   0.949   3.279
   34   1HG   PRO   5          2HG       PRO   5   9.617   0.241   0.639
   35   2HG   PRO   5          1HG       PRO   5   7.931   0.569   1.071
   36   1HD   PRO   5          2HD       PRO   5   9.788   2.370  -0.101
   37   2HD   PRO   5          1HD       PRO   5   8.163   2.751   0.497
   38    H    LEU   6           H        LEU   6  11.781   0.464   4.141
   39    HA   LEU   6           HA       LEU   6  14.111   1.016   2.440
   40   1HB   LEU   6          2HB       LEU   6  15.009  -0.509   4.554
   41   2HB   LEU   6          1HB       LEU   6  15.122   1.236   4.417
   42    HG   LEU   6           HG       LEU   6  12.840   1.326   5.551
   43   1HD1  LEU   6          1HD1      LEU   6  12.825  -0.881   7.109
   44   2HD1  LEU   6          2HD1      LEU   6  13.380  -1.563   5.581
   45   3HD1  LEU   6          3HD1      LEU   6  11.850  -0.690   5.653
   46   1HD2  LEU   6          1HD2      LEU   6  14.862   0.125   7.383
   47   2HD2  LEU   6          2HD2      LEU   6  13.837   1.542   7.607
   48   3HD2  LEU   6          3HD2      LEU   6  15.244   1.630   6.547
   49    H    ILE   7           H        ILE   7  12.322  -0.551   1.204
   50    HA   ILE   7           HA       ILE   7  12.172  -2.493   0.027
   51    HB   ILE   7           HB       ILE   7  14.836  -3.000   1.338
   52   1HG1  ILE   7          2HG1      ILE   7  14.337  -2.753  -1.604
   53   2HG1  ILE   7          1HG1      ILE   7  14.359  -1.298  -0.612
   54   1HG2  ILE   7          1HG2      ILE   7  14.834  -4.828  -0.601
   55   2HG2  ILE   7          2HG2      ILE   7  13.113  -4.838  -0.215
   56   3HG2  ILE   7          3HG2      ILE   7  14.301  -5.184   1.042
   57   1HD1  ILE   7          1HD1      ILE   7  16.605  -1.640   0.007
   58   2HD1  ILE   7          2HD1      ILE   7  16.523  -1.927  -1.731
   59   3HD1  ILE   7          3HD1      ILE   7  16.601  -3.290  -0.614
   60    H    CYS   8           H        CYS   8  10.360  -3.361   0.928
   61    HA   CYS   8           HA       CYS   8  10.546  -4.805   3.441
   62   1HB   CYS   8          2HB       CYS   8   8.497  -3.403   2.103
   63   2HB   CYS   8          1HB       CYS   8   7.981  -5.077   2.230
   64    H    THR   9           H        THR   9   8.642  -5.746   0.634
   65    HA   THR   9           HA       THR   9  10.214  -7.996  -0.043
   66    HB   THR   9           HB       THR   9   9.441  -8.847   2.100
   67    HG1  THR   9           1HG      THR   9   8.915 -10.757   1.320
   68   1HG2  THR   9          1HG2      THR   9   6.618  -8.993   1.236
   69   2HG2  THR   9          2HG2      THR   9   7.203  -7.456   1.871
   70   3HG2  THR   9          3HG2      THR   9   7.311  -8.915   2.855
   71    H    MET  10           H        MET  10   9.590  -8.852  -1.956
   72    HA   MET  10           HA       MET  10   7.255  -7.636  -3.231
   73   1HB   MET  10          2HB       MET  10   9.690  -9.055  -4.310
   74   2HB   MET  10          1HB       MET  10   8.297  -8.692  -5.319
   75   1HG   MET  10          2HG       MET  10   8.977  -6.609  -5.620
   76   2HG   MET  10          1HG       MET  10   9.121  -6.347  -3.883
   77   1HE   MET  10          1HE       MET  10  10.902  -4.909  -6.012
   78   2HE   MET  10          2HE       MET  10  12.545  -5.077  -5.396
   79   3HE   MET  10          3HE       MET  10  11.231  -4.655  -4.299
   80    H    GLN  11           H        GLN  11   7.092  -9.759  -1.243
   81    HA   GLN  11           HA       GLN  11   6.438 -12.180  -2.660
   82   1HB   GLN  11          2HB       GLN  11   6.373 -11.305   0.199
   83   2HB   GLN  11          1HB       GLN  11   5.470 -12.735  -0.277
   84   1HG   GLN  11          2HG       GLN  11   8.022 -12.783   0.541
   85   2HG   GLN  11          1HG       GLN  11   7.319 -13.979  -0.545
   86   1HE2  GLN  11          1HE2      GLN  11   8.209 -14.251  -2.482
   87   2HE2  GLN  11          2HE2      GLN  11   9.412 -13.231  -3.184
   88    H    TYR  12           H        TYR  12   4.161 -11.354  -0.196
   89    HA   TYR  12           HA       TYR  12   2.238 -10.145  -1.887
   90   1HB   TYR  12          2HB       TYR  12   2.450 -12.946  -2.119
   91   2HB   TYR  12          1HB       TYR  12   0.977 -12.622  -1.212
   92    HD1  TYR  12           1HD      TYR  12  -0.852 -11.347  -2.224
   93    HD2  TYR  12           2HD      TYR  12   2.652 -12.301  -4.440
   94    HE1  TYR  12           1HE      TYR  12  -2.022 -10.774  -4.309
   95    HE2  TYR  12           2HE      TYR  12   1.490 -11.732  -6.532
   96    HH   TYR  12           HH       TYR  12  -1.632 -11.590  -6.919
   97    H    ASP  13           H        ASP  13   1.685  -8.754  -0.381
   98    HA   ASP  13           HA       ASP  13   0.197  -9.749   1.927
   99   1HB   ASP  13          2HB       ASP  13   2.720  -8.840   2.329
  100   2HB   ASP  13          1HB       ASP  13   1.838  -7.317   2.391
  101    HA   PRO  14           HA       PRO  14  -1.506  -6.457  -1.104
  102   1HB   PRO  14          2HB       PRO  14  -3.919  -7.903  -1.203
  103   2HB   PRO  14          1HB       PRO  14  -2.680  -7.831  -2.459
  104   1HG   PRO  14          2HG       PRO  14  -3.120  -9.880  -0.340
  105   2HG   PRO  14          1HG       PRO  14  -2.564 -10.091  -2.012
  106   1HD   PRO  14          2HD       PRO  14  -0.842 -10.242   0.011
  107   2HD   PRO  14          1HD       PRO  14  -0.385  -9.416  -1.496
  108    H    VAL  15           H        VAL  15  -2.034  -4.759   0.083
  109    HA   VAL  15           HA       VAL  15  -4.185  -5.043   2.056
  110    HB   VAL  15           HB       VAL  15  -3.042  -3.211   3.313
  111   1HG1  VAL  15          1HG1      VAL  15  -1.989  -4.725   4.618
  112   2HG1  VAL  15          2HG1      VAL  15  -1.051  -5.377   3.275
  113   3HG1  VAL  15          3HG1      VAL  15  -2.728  -5.876   3.504
  114   1HG2  VAL  15          1HG2      VAL  15  -0.884  -3.768   1.308
  115   2HG2  VAL  15          2HG2      VAL  15  -0.553  -3.021   2.871
  116   3HG2  VAL  15          3HG2      VAL  15  -1.623  -2.221   1.719
  117    H    CYS  16           H        CYS  16  -5.771  -3.654   1.936
  118    HA   CYS  16           HA       CYS  16  -5.920  -1.887  -0.315
  119   1HB   CYS  16          2HB       CYS  16  -7.725  -3.246   1.367
  120   2HB   CYS  16          1HB       CYS  16  -8.044  -1.537   1.543
  121    H    GLY  17           H        GLY  17  -5.270   0.159  -0.325
  122   1HA   GLY  17          2HA       GLY  17  -4.799   1.460   2.261
  123   2HA   GLY  17          1HA       GLY  17  -4.024   1.897   0.750
  124    H    SER  18           H        SER  18  -5.803   3.200   2.878
  125    HA   SER  18           HA       SER  18  -8.214   3.992   1.840
  126   1HB   SER  18          2HB       SER  18  -7.905   4.702   4.023
  127   2HB   SER  18          1HB       SER  18  -6.263   5.257   3.716
  128    HG   SER  18           HG       SER  18  -8.690   6.505   2.958
  129    H    ASP  19           H        ASP  19  -8.288   4.363  -0.207
  130    HA   ASP  19           HA       ASP  19  -7.934   6.861  -1.299
  131   1HB   ASP  19          2HB       ASP  19  -5.494   6.403  -1.094
  132   2HB   ASP  19          1HB       ASP  19  -5.695   4.990  -2.126
  133    H    GLY  20           H        GLY  20  -8.026   3.419  -1.669
  134   1HA   GLY  20          2HA       GLY  20  -9.963   2.508  -2.839
  135   2HA   GLY  20          1HA       GLY  20  -9.696   3.736  -4.072
  136    H    ILE  21           H        ILE  21  -7.082   1.945  -2.527
  137    HA   ILE  21           HA       ILE  21  -6.818   0.353  -4.991
  138    HB   ILE  21           HB       ILE  21  -4.673   2.086  -3.794
  139   1HG1  ILE  21          2HG1      ILE  21  -6.468   2.900  -5.522
  140   2HG1  ILE  21          1HG1      ILE  21  -4.777   3.342  -5.737
  141   1HG2  ILE  21          1HG2      ILE  21  -3.152   1.130  -5.459
  142   2HG2  ILE  21          2HG2      ILE  21  -4.410  -0.003  -5.953
  143   3HG2  ILE  21          3HG2      ILE  21  -3.729  -0.095  -4.329
  144   1HD1  ILE  21          1HD1      ILE  21  -5.664   0.842  -7.025
  145   2HD1  ILE  21          2HD1      ILE  21  -4.548   2.085  -7.592
  146   3HD1  ILE  21          3HD1      ILE  21  -6.288   2.351  -7.690
  147    H    THR  22           H        THR  22  -5.746  -1.575  -4.839
  148    HA   THR  22           HA       THR  22  -5.216  -2.538  -2.108
  149    HB   THR  22           HB       THR  22  -5.857  -4.135  -4.598
  150    HG1  THR  22           1HG      THR  22  -7.834  -3.707  -4.109
  151   1HG2  THR  22          1HG2      THR  22  -4.879  -4.926  -2.003
  152   2HG2  THR  22          2HG2      THR  22  -5.094  -5.878  -3.472
  153   3HG2  THR  22          3HG2      THR  22  -6.447  -5.650  -2.364
  154    H    TYR  23           H        TYR  23  -3.103  -2.065  -1.833
  155    HA   TYR  23           HA       TYR  23  -1.167  -2.463  -3.915
  156   1HB   TYR  23          2HB       TYR  23  -0.687  -1.766  -1.019
  157   2HB   TYR  23          1HB       TYR  23   0.376  -1.470  -2.387
  158    HD1  TYR  23           1HD      TYR  23  -0.209   0.256  -4.074
  159    HD2  TYR  23           2HD      TYR  23  -2.584  -0.346  -0.596
  160    HE1  TYR  23           1HE      TYR  23  -1.349   2.400  -4.480
  161    HE2  TYR  23           2HE      TYR  23  -3.725   1.795  -0.998
  162    HH   TYR  23           HH       TYR  23  -2.715   4.141  -2.624
  163    H    GLY  24           H        GLY  24   0.369  -3.964  -4.084
  164   1HA   GLY  24          2HA       GLY  24  -0.034  -6.558  -3.278
  165   2HA   GLY  24          1HA       GLY  24   1.541  -5.913  -3.719
  166    H    ASN  25           H        ASN  25   1.520  -3.975  -1.567
  167    HA   ASN  25           HA       ASN  25   1.345  -5.403   0.893
  168   1HB   ASN  25          2HB       ASN  25   4.113  -4.594  -0.020
  169   2HB   ASN  25          1HB       ASN  25   3.695  -5.371   1.501
  170   1HD2  ASN  25          1HD2      ASN  25   5.109  -5.909  -1.317
  171   2HD2  ASN  25          2HD2      ASN  25   4.768  -7.588  -1.535
  172    H    ALA  26           H        ALA  26   1.428  -4.049   2.683
  173    HA   ALA  26           HA       ALA  26   0.727  -1.377   2.331
  174   1HB   ALA  26          1HB       ALA  26   1.994  -1.609   4.857
  175   2HB   ALA  26          2HB       ALA  26   1.171  -3.134   4.533
  176   3HB   ALA  26          3HB       ALA  26   0.267  -1.620   4.497
  177    H    CYS  27           H        CYS  27   3.797  -2.954   2.559
  178    HA   CYS  27           HA       CYS  27   5.375  -0.614   2.959
  179   1HB   CYS  27          2HB       CYS  27   6.026  -3.399   1.999
  180   2HB   CYS  27          1HB       CYS  27   7.233  -2.139   2.193
  181    H    MET  28           H        MET  28   4.275  -2.497   0.201
  182    HA   MET  28           HA       MET  28   5.807  -1.199  -1.769
  183   1HB   MET  28          2HB       MET  28   3.083  -2.504  -1.965
  184   2HB   MET  28          1HB       MET  28   4.081  -2.049  -3.341
  185   1HG   MET  28          2HG       MET  28   5.641  -3.642  -1.566
  186   2HG   MET  28          1HG       MET  28   4.106  -4.457  -1.871
  187   1HE   MET  28          1HE       MET  28   4.096  -6.123  -3.160
  188   2HE   MET  28          2HE       MET  28   5.013  -6.481  -4.623
  189   3HE   MET  28          3HE       MET  28   3.560  -5.487  -4.716
  190    H    LEU  29           H        LEU  29   3.197  -0.228   0.172
  191    HA   LEU  29           HA       LEU  29   2.155   1.789  -1.548
  192   1HB   LEU  29          2HB       LEU  29   1.554   0.690   1.039
  193   2HB   LEU  29          1HB       LEU  29   1.574   2.444   1.124
  194    HG   LEU  29           HG       LEU  29  -0.189   0.669  -0.503
  195   1HD1  LEU  29          1HD1      LEU  29  -0.816   1.406   1.793
  196   2HD1  LEU  29          2HD1      LEU  29  -1.949   1.887   0.531
  197   3HD1  LEU  29          3HD1      LEU  29  -0.816   3.064   1.195
  198   1HD2  LEU  29          1HD2      LEU  29   0.743   3.410  -1.128
  199   2HD2  LEU  29          2HD2      LEU  29  -0.962   3.050  -1.378
  200   3HD2  LEU  29          3HD2      LEU  29   0.271   2.105  -2.210
  201    H    LEU  30           H        LEU  30   4.226   1.816   1.352
  202    HA   LEU  30           HA       LEU  30   4.692   4.531   1.496
  203   1HB   LEU  30          2HB       LEU  30   6.919   2.525   1.824
  204   2HB   LEU  30          1HB       LEU  30   6.738   4.069   2.629
  205    HG   LEU  30           HG       LEU  30   5.501   1.449   3.253
  206   1HD1  LEU  30          1HD1      LEU  30   5.982   2.082   5.497
  207   2HD1  LEU  30          2HD1      LEU  30   6.280   3.754   5.024
  208   3HD1  LEU  30          3HD1      LEU  30   7.394   2.484   4.519
  209   1HD2  LEU  30          1HD2      LEU  30   3.446   2.427   3.030
  210   2HD2  LEU  30          2HD2      LEU  30   4.061   4.051   3.339
  211   3HD2  LEU  30          3HD2      LEU  30   3.840   2.922   4.677
  212    H    GLY  31           H        GLY  31   5.891   2.166  -0.764
  213   1HA   GLY  31          2HA       GLY  31   7.798   3.931  -2.015
  214   2HA   GLY  31          1HA       GLY  31   7.241   2.380  -2.639
  215    H    ALA  32           H        ALA  32   4.444   3.077  -2.417
  216    HA   ALA  32           HA       ALA  32   4.063   4.287  -4.962
  217   1HB   ALA  32          1HB       ALA  32   1.703   4.187  -3.260
  218   2HB   ALA  32          2HB       ALA  32   2.572   2.654  -3.324
  219   3HB   ALA  32          3HB       ALA  32   2.009   3.412  -4.814
  220    H    SER  33           H        SER  33   3.144   5.298  -1.663
  221    HA   SER  33           HA       SER  33   2.262   7.871  -2.367
  222   1HB   SER  33          2HB       SER  33   3.437   7.947   0.241
  223   2HB   SER  33          1HB       SER  33   1.728   7.884  -0.187
  224    HG   SER  33           HG       SER  33   3.382   5.903   0.730
  225    H    CYS  34           H        CYS  34   5.394   6.511  -1.915
  226    HA   CYS  34           HA       CYS  34   6.779   9.038  -1.736
  227   1HB   CYS  34          2HB       CYS  34   7.733   7.147  -0.582
  228   2HB   CYS  34          1HB       CYS  34   7.732   6.185  -2.053
  229    H    ARG  35           H        ARG  35   5.520   7.053  -4.180
  230    HA   ARG  35           HA       ARG  35   7.361   7.996  -6.229
  231   1HB   ARG  35          2HB       ARG  35   5.351   5.844  -6.000
  232   2HB   ARG  35          1HB       ARG  35   5.487   6.586  -7.588
  233   1HG   ARG  35          2HG       ARG  35   6.903   4.523  -7.112
  234   2HG   ARG  35          1HG       ARG  35   7.704   5.914  -7.845
  235   1HD   ARG  35          2HD       ARG  35   7.838   6.227  -5.034
  236   2HD   ARG  35          1HD       ARG  35   8.322   4.574  -5.409
  237    HE   ARG  35           HE       ARG  35   9.564   6.647  -7.010
  238   1HH1  ARG  35          1HH1      ARG  35   9.784   4.548  -4.239
  239   2HH1  ARG  35          2HH1      ARG  35  11.506   4.687  -4.109
  240   1HH2  ARG  35          1HH2      ARG  35  11.830   6.841  -6.844
  241   2HH2  ARG  35          2HH2      ARG  35  12.667   5.993  -5.587
  242    H    SER  36           H        SER  36   4.058   8.468  -5.134
  243    HA   SER  36           HA       SER  36   3.500  10.197  -7.414
  244   1HB   SER  36          2HB       SER  36   1.806   8.546  -6.706
  245   2HB   SER  36          1HB       SER  36   1.694   9.343  -5.141
  246    HG   SER  36           HG       SER  36   0.333   9.921  -7.289
  247    H    ASP  37           H        ASP  37   1.767  11.121  -4.650
  248    HA   ASP  37           HA       ASP  37   3.535  12.909  -3.412
  249   1HB   ASP  37          2HB       ASP  37   3.108  14.979  -4.410
  250   2HB   ASP  37          1HB       ASP  37   3.262  13.900  -5.794
  251    H    THR  38           H        THR  38   1.341  11.065  -2.866
  252    HA   THR  38           HA       THR  38  -0.230  12.828  -1.148
  253    HB   THR  38           HB       THR  38  -1.578  10.648  -2.735
  254    HG1  THR  38           1HG      THR  38  -0.747  12.291  -4.141
  255   1HG2  THR  38          1HG2      THR  38  -3.617  11.796  -2.200
  256   2HG2  THR  38          2HG2      THR  38  -2.723  13.078  -1.383
  257   3HG2  THR  38          3HG2      THR  38  -2.734  11.446  -0.714
  258    HA   PRO  39           HA       PRO  39   1.172   9.518   1.533
  259   1HB   PRO  39          2HB       PRO  39   0.117  10.583   3.815
  260   2HB   PRO  39          1HB       PRO  39   1.649  11.108   3.109
  261   1HG   PRO  39          2HG       PRO  39  -1.064  12.349   2.881
  262   2HG   PRO  39          1HG       PRO  39   0.506  13.132   3.141
  263   1HD   PRO  39          2HD       PRO  39  -0.678  13.078   0.722
  264   2HD   PRO  39          1HD       PRO  39   1.087  12.991   0.908
  265    H    ILE  40           H        ILE  40  -0.460   8.138   0.363
  266    HA   ILE  40           HA       ILE  40  -3.137   7.970   1.149
  267    HB   ILE  40           HB       ILE  40  -3.233   5.874   0.079
  268   1HG1  ILE  40          2HG1      ILE  40  -1.063   5.089   1.377
  269   2HG1  ILE  40          1HG1      ILE  40  -1.550   4.313  -0.124
  270   1HG2  ILE  40          1HG2      ILE  40  -2.164   6.267  -2.049
  271   2HG2  ILE  40          2HG2      ILE  40  -1.050   7.413  -1.305
  272   3HG2  ILE  40          3HG2      ILE  40  -2.772   7.785  -1.391
  273   1HD1  ILE  40          1HD1      ILE  40   0.876   4.839   0.062
  274   2HD1  ILE  40          2HD1      ILE  40   0.448   6.548   0.012
  275   3HD1  ILE  40          3HD1      ILE  40   0.081   5.507  -1.363
  276    H    GLU  41           H        GLU  41  -4.062   5.987   2.317
  277    HA   GLU  41           HA       GLU  41  -2.370   5.371   4.649
  278   1HB   GLU  41          2HB       GLU  41  -5.149   6.439   4.547
  279   2HB   GLU  41          1HB       GLU  41  -4.729   5.330   5.848
  280   1HG   GLU  41          2HG       GLU  41  -2.665   6.959   6.084
  281   2HG   GLU  41          1HG       GLU  41  -3.776   8.088   5.310
  282    H    LEU  42           H        LEU  42  -3.739   3.594   6.019
  283    HA   LEU  42           HA       LEU  42  -4.379   1.460   4.090
  284   1HB   LEU  42          2HB       LEU  42  -2.344   1.537   6.062
  285   2HB   LEU  42          1HB       LEU  42  -3.545   0.380   6.603
  286    HG   LEU  42           HG       LEU  42  -1.681  -0.613   5.270
  287   1HD1  LEU  42          1HD1      LEU  42  -4.502  -1.017   4.994
  288   2HD1  LEU  42          2HD1      LEU  42  -3.196  -2.201   4.975
  289   3HD1  LEU  42          3HD1      LEU  42  -3.687  -1.407   3.480
  290   1HD2  LEU  42          1HD2      LEU  42  -1.657  -0.287   2.861
  291   2HD2  LEU  42          2HD2      LEU  42  -1.387   1.244   3.695
  292   3HD2  LEU  42          3HD2      LEU  42  -2.965   0.889   2.991
  293    H    VAL  43           H        VAL  43  -6.194   0.271   4.428
  294    HA   VAL  43           HA       VAL  43  -7.784   0.946   6.813
  295    HB   VAL  43           HB       VAL  43  -9.623   0.047   4.968
  296   1HG1  VAL  43          1HG1      VAL  43 -10.527   1.840   5.923
  297   2HG1  VAL  43          2HG1      VAL  43  -9.649   2.823   4.750
  298   3HG1  VAL  43          3HG1      VAL  43  -8.943   2.496   6.333
  299   1HG2  VAL  43          1HG2      VAL  43  -7.490   1.639   3.577
  300   2HG2  VAL  43          2HG2      VAL  43  -9.159   1.613   3.008
  301   3HG2  VAL  43          3HG2      VAL  43  -8.229   0.116   3.080
  302    H    HIS  44           H        HIS  44  -7.365  -1.566   4.321
  303    HA   HIS  44           HA       HIS  44  -7.753  -3.580   6.428
  304   1HB   HIS  44          2HB       HIS  44  -8.811  -4.485   3.884
  305   2HB   HIS  44          1HB       HIS  44  -9.567  -4.487   5.474
  306    HD1  HIS  44           1HD      HIS  44 -10.957  -2.346   6.118
  307    HD2  HIS  44           2HD      HIS  44  -9.613  -2.456   2.187
  308    HE1  HIS  44           1HE      HIS  44 -12.271  -0.578   4.906
  309    HE2  HIS  44           2HE      HIS  44 -11.484  -0.703   2.517
  310    H    LYS  45           H        LYS  45  -6.733  -5.598   6.051
  311    HA   LYS  45           HA       LYS  45  -4.428  -5.372   4.270
  312   1HB   LYS  45          2HB       LYS  45  -4.823  -7.664   6.150
  313   2HB   LYS  45          1HB       LYS  45  -3.331  -6.896   5.626
  314   1HG   LYS  45          2HG       LYS  45  -5.167  -5.215   7.209
  315   2HG   LYS  45          1HG       LYS  45  -4.401  -6.559   8.058
  316   1HD   LYS  45          2HD       LYS  45  -2.290  -5.694   7.807
  317   2HD   LYS  45          1HD       LYS  45  -2.712  -4.812   6.338
  318   1HE   LYS  45          2HE       LYS  45  -4.302  -3.571   8.137
  319   2HE   LYS  45          1HE       LYS  45  -2.939  -4.013   9.166
  320   1HZ   LYS  45          1HZ       LYS  45  -3.038  -1.803   7.663
  321   2HZ   LYS  45          2HZ       LYS  45  -2.221  -2.850   6.615
  322   3HZ   LYS  45          3HZ       LYS  45  -1.600  -2.544   8.158
  323    H    GLY  46           H        GLY  46  -6.283  -5.691   2.552
  324   1HA   GLY  46          2HA       GLY  46  -5.824  -8.133   1.281
  325   2HA   GLY  46          1HA       GLY  46  -7.345  -8.276   2.149
  326    H    ARG  47           H        ARG  47  -8.463  -8.512   0.175
  327    HA   ARG  47           HA       ARG  47  -8.391  -6.360  -1.753
  328   1HB   ARG  47          2HB       ARG  47 -10.390  -8.605  -1.719
  329   2HB   ARG  47          1HB       ARG  47  -9.780  -7.700  -3.099
  330   1HG   ARG  47          2HG       ARG  47  -7.545  -8.729  -2.692
  331   2HG   ARG  47          1HG       ARG  47  -8.303  -9.747  -1.465
  332   1HD   ARG  47          2HD       ARG  47  -9.850 -10.613  -3.180
  333   2HD   ARG  47          1HD       ARG  47  -9.023  -9.640  -4.394
  334    HE   ARG  47           HE       ARG  47  -8.049 -12.071  -3.135
  335   1HH1  ARG  47          1HH1      ARG  47  -7.355  -9.311  -5.149
  336   2HH1  ARG  47          2HH1      ARG  47  -5.968 -10.040  -5.889
  337   1HH2  ARG  47          1HH2      ARG  47  -6.229 -13.037  -4.108
  338   2HH2  ARG  47          2HH2      ARG  47  -5.329 -12.156  -5.298
  339    H    CYS  48           H        CYS  48  -9.036  -5.090   0.416
  340    HA   CYS  48           HA       CYS  48 -10.621  -3.944   1.609
  341   1HB   CYS  48          2HB       CYS  48 -11.204  -3.689  -1.281
  342   2HB   CYS  48          1HB       CYS  48 -12.434  -3.081  -0.176
  Start of MODEL   19
    1   1H    LYS   1          1HT       LYS   1  12.790   5.550 -11.093
    2   2H    LYS   1          2HT       LYS   1  13.432   5.966  -9.556
    3   3H    LYS   1          3HT       LYS   1  12.719   7.173 -10.546
    4    HA   LYS   1           HA       LYS   1  10.605   6.279 -10.294
    5   1HB   LYS   1          2HB       LYS   1  12.192   3.944  -9.371
    6   2HB   LYS   1          1HB       LYS   1  10.639   4.197  -8.588
    7   1HG   LYS   1          2HG       LYS   1   9.832   4.432 -11.100
    8   2HG   LYS   1          1HG       LYS   1  11.255   3.427 -11.379
    9   1HD   LYS   1          2HD       LYS   1  10.422   1.779  -9.793
   10   2HD   LYS   1          1HD       LYS   1   9.020   2.795  -9.456
   11   1HE   LYS   1          2HE       LYS   1   9.396   2.242 -12.295
   12   2HE   LYS   1          1HE       LYS   1   9.141   0.789 -11.329
   13   1HZ   LYS   1          1HZ       LYS   1   7.120   1.777 -10.443
   14   2HZ   LYS   1          2HZ       LYS   1   7.052   1.696 -12.132
   15   3HZ   LYS   1          3HZ       LYS   1   7.367   3.172 -11.368
   16    HA   PRO   2           HA       PRO   2  10.804   8.496  -6.427
   17   1HB   PRO   2          2HB       PRO   2   8.316   9.412  -6.405
   18   2HB   PRO   2          1HB       PRO   2   9.440   9.948  -7.665
   19   1HG   PRO   2          2HG       PRO   2   7.338   7.808  -7.800
   20   2HG   PRO   2          1HG       PRO   2   7.658   9.121  -8.949
   21   1HD   PRO   2          2HD       PRO   2   8.590   6.568  -9.266
   22   2HD   PRO   2          1HD       PRO   2   9.411   7.999  -9.923
   23    H    ASP   3           H        ASP   3  10.547   5.695  -6.252
   24    HA   ASP   3           HA       ASP   3   8.257   5.058  -4.618
   25   1HB   ASP   3          2HB       ASP   3   9.994   3.578  -6.182
   26   2HB   ASP   3          1HB       ASP   3  10.453   3.137  -4.540
   27    H    CYS   4           H        CYS   4   8.104   5.366  -2.512
   28    HA   CYS   4           HA       CYS   4   9.761   6.663  -0.876
   29   1HB   CYS   4          2HB       CYS   4   7.612   4.768  -0.439
   30   2HB   CYS   4          1HB       CYS   4   8.739   4.867   0.896
   31    HA   PRO   5           HA       PRO   5  12.293   2.981   0.559
   32   1HB   PRO   5          2HB       PRO   5  11.387   0.506   0.512
   33   2HB   PRO   5          1HB       PRO   5  10.600   1.708   1.545
   34   1HG   PRO   5          2HG       PRO   5   9.715   0.593  -1.080
   35   2HG   PRO   5          1HG       PRO   5   8.745   1.038   0.334
   36   1HD   PRO   5          2HD       PRO   5   9.214   2.623  -1.966
   37   2HD   PRO   5          1HD       PRO   5   8.459   3.142  -0.448
   38    H    LEU   6           H        LEU   6  13.152   0.558  -0.116
   39    HA   LEU   6           HA       LEU   6  13.843   0.726  -2.977
   40   1HB   LEU   6          2HB       LEU   6  15.514   0.730  -0.675
   41   2HB   LEU   6          1HB       LEU   6  15.750  -0.804  -1.491
   42    HG   LEU   6           HG       LEU   6  15.835   1.615  -3.197
   43   1HD1  LEU   6          1HD1      LEU   6  17.548   2.640  -2.225
   44   2HD1  LEU   6          2HD1      LEU   6  18.434   1.125  -2.056
   45   3HD1  LEU   6          3HD1      LEU   6  17.282   1.614  -0.815
   46   1HD2  LEU   6          1HD2      LEU   6  17.428  -0.936  -3.002
   47   2HD2  LEU   6          2HD2      LEU   6  17.710   0.331  -4.197
   48   3HD2  LEU   6          3HD2      LEU   6  16.181  -0.547  -4.186
   49    H    ILE   7           H        ILE   7  11.625  -0.579  -2.580
   50    HA   ILE   7           HA       ILE   7  10.580  -2.550  -3.033
   51    HB   ILE   7           HB       ILE   7  13.418  -3.397  -3.470
   52   1HG1  ILE   7          2HG1      ILE   7  11.580  -4.191  -5.501
   53   2HG1  ILE   7          1HG1      ILE   7  11.212  -2.529  -5.048
   54   1HG2  ILE   7          1HG2      ILE   7  12.704  -5.689  -3.965
   55   2HG2  ILE   7          2HG2      ILE   7  11.081  -5.308  -3.391
   56   3HG2  ILE   7          3HG2      ILE   7  12.441  -5.285  -2.269
   57   1HD1  ILE   7          1HD1      ILE   7  12.741  -2.299  -6.764
   58   2HD1  ILE   7          2HD1      ILE   7  13.723  -3.653  -6.206
   59   3HD1  ILE   7          3HD1      ILE   7  13.737  -2.130  -5.318
   60    H    CYS   8           H        CYS   8  10.048  -4.606  -2.000
   61    HA   CYS   8           HA       CYS   8  11.200  -4.943   0.661
   62   1HB   CYS   8          2HB       CYS   8   8.681  -3.805   0.180
   63   2HB   CYS   8          1HB       CYS   8   8.396  -5.418   0.811
   64    H    THR   9           H        THR   9   9.549  -6.885   1.591
   65    HA   THR   9           HA       THR   9  10.563  -9.188   0.297
   66    HB   THR   9           HB       THR   9  10.280  -9.482   2.579
   67    HG1  THR   9           1HG      THR   9   9.404 -11.311   1.874
   68   1HG2  THR   9          1HG2      THR   9   7.956  -9.083   3.640
   69   2HG2  THR   9          2HG2      THR   9   7.703  -8.020   2.255
   70   3HG2  THR   9          3HG2      THR   9   9.037  -7.716   3.369
   71    H    MET  10           H        MET  10   9.322 -10.957  -0.580
   72    HA   MET  10           HA       MET  10   7.144  -9.983  -2.252
   73   1HB   MET  10          2HB       MET  10   8.784 -12.518  -2.295
   74   2HB   MET  10          1HB       MET  10   7.409 -12.249  -3.358
   75   1HG   MET  10          2HG       MET  10   8.487 -10.624  -4.571
   76   2HG   MET  10          1HG       MET  10   9.598 -10.233  -3.260
   77   1HE   MET  10          1HE       MET  10  11.982 -10.446  -4.965
   78   2HE   MET  10          2HE       MET  10  10.531 -10.215  -5.940
   79   3HE   MET  10          3HE       MET  10  11.691 -11.472  -6.370
   80    H    GLN  11           H        GLN  11   7.001 -10.730   0.708
   81    HA   GLN  11           HA       GLN  11   5.294 -13.012   0.863
   82   1HB   GLN  11          2HB       GLN  11   6.660 -11.404   2.693
   83   2HB   GLN  11          1HB       GLN  11   4.961 -11.111   3.037
   84   1HG   GLN  11          2HG       GLN  11   4.832 -13.735   2.936
   85   2HG   GLN  11          1HG       GLN  11   6.551 -13.605   3.304
   86   1HE2  GLN  11          1HE2      GLN  11   3.744 -14.175   4.708
   87   2HE2  GLN  11          2HE2      GLN  11   3.994 -13.463   6.262
   88    H    TYR  12           H        TYR  12   4.154 -11.931  -1.089
   89    HA   TYR  12           HA       TYR  12   2.550  -9.974  -1.465
   90   1HB   TYR  12          2HB       TYR  12   2.277 -12.730  -2.041
   91   2HB   TYR  12          1HB       TYR  12   0.695 -12.147  -1.537
   92    HD1  TYR  12           1HD      TYR  12   3.511 -11.081  -3.766
   93    HD2  TYR  12           2HD      TYR  12  -0.696 -11.314  -3.167
   94    HE1  TYR  12           1HE      TYR  12   3.144 -10.125  -6.002
   95    HE2  TYR  12           2HE      TYR  12  -1.073 -10.360  -5.400
   96    HH   TYR  12           HH       TYR  12  -0.091  -9.842  -7.373
   97    H    ASP  13           H        ASP  13   1.893  -8.657   0.127
   98    HA   ASP  13           HA       ASP  13  -0.221  -9.675   1.903
   99   1HB   ASP  13          2HB       ASP  13   2.258  -8.487   2.647
  100   2HB   ASP  13          1HB       ASP  13   0.988  -7.318   3.000
  101    HA   PRO  14           HA       PRO  14  -1.546  -6.394  -1.236
  102   1HB   PRO  14          2HB       PRO  14  -4.062  -7.666  -1.315
  103   2HB   PRO  14          1HB       PRO  14  -2.792  -7.768  -2.538
  104   1HG   PRO  14          2HG       PRO  14  -3.444  -9.646  -0.318
  105   2HG   PRO  14          1HG       PRO  14  -2.851  -9.995  -1.953
  106   1HD   PRO  14          2HD       PRO  14  -1.219 -10.146   0.151
  107   2HD   PRO  14          1HD       PRO  14  -0.645  -9.470  -1.392
  108    H    VAL  15           H        VAL  15  -1.862  -4.630  -0.024
  109    HA   VAL  15           HA       VAL  15  -4.074  -4.675   1.903
  110    HB   VAL  15           HB       VAL  15  -2.828  -2.918   3.131
  111   1HG1  VAL  15          1HG1      VAL  15  -2.433  -5.669   3.151
  112   2HG1  VAL  15          2HG1      VAL  15  -2.020  -4.533   4.437
  113   3HG1  VAL  15          3HG1      VAL  15  -0.812  -4.981   3.231
  114   1HG2  VAL  15          1HG2      VAL  15  -0.615  -3.614   1.214
  115   2HG2  VAL  15          2HG2      VAL  15  -0.419  -2.642   2.672
  116   3HG2  VAL  15          3HG2      VAL  15  -1.439  -2.062   1.355
  117    H    CYS  16           H        CYS  16  -5.645  -3.374   1.499
  118    HA   CYS  16           HA       CYS  16  -5.512  -1.515  -0.682
  119   1HB   CYS  16          2HB       CYS  16  -7.521  -2.932   0.705
  120   2HB   CYS  16          1HB       CYS  16  -7.864  -1.228   0.885
  121    H    GLY  17           H        GLY  17  -4.760   0.481  -0.486
  122   1HA   GLY  17          2HA       GLY  17  -4.568   1.622   2.194
  123   2HA   GLY  17          1HA       GLY  17  -3.676   2.155   0.781
  124    H    SER  18           H        SER  18  -5.529   3.363   2.858
  125    HA   SER  18           HA       SER  18  -7.860   4.290   1.724
  126   1HB   SER  18          2HB       SER  18  -6.518   6.333   3.320
  127   2HB   SER  18          1HB       SER  18  -8.026   5.476   3.634
  128    HG   SER  18           HG       SER  18  -6.423   5.015   5.205
  129    H    ASP  19           H        ASP  19  -7.676   4.729  -0.320
  130    HA   ASP  19           HA       ASP  19  -7.157   7.307  -1.207
  131   1HB   ASP  19          2HB       ASP  19  -4.791   5.656  -1.084
  132   2HB   ASP  19          1HB       ASP  19  -5.167   6.035  -2.762
  133    H    GLY  20           H        GLY  20  -7.322   3.890  -1.830
  134   1HA   GLY  20          2HA       GLY  20  -9.270   3.173  -3.145
  135   2HA   GLY  20          1HA       GLY  20  -8.835   4.431  -4.295
  136    H    ILE  21           H        ILE  21  -6.437   2.379  -2.694
  137    HA   ILE  21           HA       ILE  21  -6.204   0.851  -5.195
  138    HB   ILE  21           HB       ILE  21  -3.954   2.401  -3.943
  139   1HG1  ILE  21          2HG1      ILE  21  -5.576   3.629  -5.427
  140   2HG1  ILE  21          1HG1      ILE  21  -3.909   3.646  -5.993
  141   1HG2  ILE  21          1HG2      ILE  21  -3.057   0.301  -4.614
  142   2HG2  ILE  21          2HG2      ILE  21  -2.619   1.472  -5.858
  143   3HG2  ILE  21          3HG2      ILE  21  -3.942   0.341  -6.138
  144   1HD1  ILE  21          1HD1      ILE  21  -5.370   3.287  -7.852
  145   2HD1  ILE  21          2HD1      ILE  21  -6.152   1.935  -7.033
  146   3HD1  ILE  21          3HD1      ILE  21  -4.470   1.803  -7.544
  147    H    THR  22           H        THR  22  -5.359  -1.154  -5.063
  148    HA   THR  22           HA       THR  22  -4.863  -2.222  -2.369
  149    HB   THR  22           HB       THR  22  -5.514  -3.662  -4.952
  150    HG1  THR  22           1HG      THR  22  -7.349  -2.700  -4.227
  151   1HG2  THR  22          1HG2      THR  22  -4.158  -4.817  -2.991
  152   2HG2  THR  22          2HG2      THR  22  -5.405  -5.663  -3.908
  153   3HG2  THR  22          3HG2      THR  22  -5.781  -4.985  -2.323
  154    H    TYR  23           H        TYR  23  -2.739  -1.843  -2.014
  155    HA   TYR  23           HA       TYR  23  -0.770  -2.154  -4.061
  156   1HB   TYR  23          2HB       TYR  23  -0.356  -1.720  -1.106
  157   2HB   TYR  23          1HB       TYR  23   0.769  -1.356  -2.408
  158    HD1  TYR  23           1HD      TYR  23   0.416   0.586  -3.864
  159    HD2  TYR  23           2HD      TYR  23  -2.315  -0.325  -0.730
  160    HE1  TYR  23           1HE      TYR  23  -0.628   2.802  -4.128
  161    HE2  TYR  23           2HE      TYR  23  -3.359   1.886  -0.985
  162    HH   TYR  23           HH       TYR  23  -3.192   3.899  -1.958
  163    H    GLY  24           H        GLY  24   1.129  -3.455  -3.855
  164   1HA   GLY  24          2HA       GLY  24   0.505  -6.197  -3.471
  165   2HA   GLY  24          1HA       GLY  24   2.102  -5.540  -3.805
  166    H    ASN  25           H        ASN  25   1.360  -3.806  -1.293
  167    HA   ASN  25           HA       ASN  25   1.164  -5.232   0.977
  168   1HB   ASN  25          2HB       ASN  25   3.660  -5.447   1.626
  169   2HB   ASN  25          1HB       ASN  25   2.946  -6.688   0.601
  170   1HD2  ASN  25          1HD2      ASN  25   4.772  -7.323  -0.420
  171   2HD2  ASN  25          2HD2      ASN  25   5.683  -6.315  -1.487
  172    H    ALA  26           H        ALA  26   1.832  -4.083   2.881
  173    HA   ALA  26           HA       ALA  26   1.444  -1.373   2.794
  174   1HB   ALA  26          1HB       ALA  26   1.578  -3.037   4.806
  175   2HB   ALA  26          2HB       ALA  26   1.931  -1.325   5.047
  176   3HB   ALA  26          3HB       ALA  26   3.250  -2.486   4.895
  177    H    CYS  27           H        CYS  27   4.293  -3.184   2.112
  178    HA   CYS  27           HA       CYS  27   6.144  -1.009   2.360
  179   1HB   CYS  27          2HB       CYS  27   6.287  -3.771   1.199
  180   2HB   CYS  27          1HB       CYS  27   7.533  -2.595   0.822
  181    H    MET  28           H        MET  28   4.586  -2.694  -0.314
  182    HA   MET  28           HA       MET  28   5.626  -1.096  -2.374
  183   1HB   MET  28          2HB       MET  28   3.228  -2.883  -2.075
  184   2HB   MET  28          1HB       MET  28   3.455  -1.944  -3.545
  185   1HG   MET  28          2HG       MET  28   5.892  -3.297  -2.863
  186   2HG   MET  28          1HG       MET  28   4.555  -4.445  -2.905
  187   1HE   MET  28          1HE       MET  28   5.684  -5.770  -5.007
  188   2HE   MET  28          2HE       MET  28   7.032  -4.658  -4.774
  189   3HE   MET  28          3HE       MET  28   6.358  -4.901  -6.385
  190    H    LEU  29           H        LEU  29   3.219  -0.612   0.004
  191    HA   LEU  29           HA       LEU  29   1.654   1.325  -1.253
  192   1HB   LEU  29          2HB       LEU  29   1.667  -0.020   1.152
  193   2HB   LEU  29          1HB       LEU  29   1.917   1.658   1.605
  194    HG   LEU  29           HG       LEU  29  -0.404   0.388   0.268
  195   1HD1  LEU  29          1HD1      LEU  29  -0.251   2.566   2.335
  196   2HD1  LEU  29          2HD1      LEU  29  -0.245   0.849   2.737
  197   3HD1  LEU  29          3HD1      LEU  29  -1.640   1.560   1.923
  198   1HD2  LEU  29          1HD2      LEU  29  -1.169   2.807  -0.171
  199   2HD2  LEU  29          2HD2      LEU  29  -0.032   2.078  -1.298
  200   3HD2  LEU  29          3HD2      LEU  29   0.545   3.210  -0.083
  201    H    LEU  30           H        LEU  30   4.190   1.783   1.248
  202    HA   LEU  30           HA       LEU  30   4.130   4.558   1.119
  203   1HB   LEU  30          2HB       LEU  30   6.338   4.554   2.109
  204   2HB   LEU  30          1HB       LEU  30   5.354   3.310   2.859
  205    HG   LEU  30           HG       LEU  30   7.003   2.442   0.589
  206   1HD1  LEU  30          1HD1      LEU  30   8.632   2.359   2.945
  207   2HD1  LEU  30          2HD1      LEU  30   8.186   4.029   2.597
  208   3HD1  LEU  30          3HD1      LEU  30   8.998   3.060   1.371
  209   1HD2  LEU  30          1HD2      LEU  30   7.338   0.503   2.016
  210   2HD2  LEU  30          2HD2      LEU  30   5.625   0.900   1.910
  211   3HD2  LEU  30          3HD2      LEU  30   6.542   1.330   3.352
  212    H    GLY  31           H        GLY  31   5.480   2.158  -0.978
  213   1HA   GLY  31          2HA       GLY  31   7.160   3.861  -2.518
  214   2HA   GLY  31          1HA       GLY  31   6.507   2.311  -3.033
  215    H    ALA  32           H        ALA  32   3.789   3.120  -2.447
  216    HA   ALA  32           HA       ALA  32   3.153   4.359  -4.961
  217   1HB   ALA  32          1HB       ALA  32   1.752   2.567  -4.286
  218   2HB   ALA  32          2HB       ALA  32   0.790   4.037  -4.129
  219   3HB   ALA  32          3HB       ALA  32   1.490   3.284  -2.696
  220    H    SER  33           H        SER  33   2.553   5.096  -1.533
  221    HA   SER  33           HA       SER  33   1.349   7.572  -1.839
  222   1HB   SER  33          2HB       SER  33   1.278   6.959   0.367
  223   2HB   SER  33          1HB       SER  33   2.891   6.246   0.328
  224    HG   SER  33           HG       SER  33   2.581   8.290   1.549
  225    H    CYS  34           H        CYS  34   4.747   6.690  -1.925
  226    HA   CYS  34           HA       CYS  34   5.726   9.377  -1.950
  227   1HB   CYS  34          2HB       CYS  34   6.843   6.676  -2.101
  228   2HB   CYS  34          1HB       CYS  34   7.718   7.850  -3.076
  229    H    ARG  35           H        ARG  35   4.851   7.027  -4.414
  230    HA   ARG  35           HA       ARG  35   5.963   8.507  -6.587
  231   1HB   ARG  35          2HB       ARG  35   5.305   6.775  -7.913
  232   2HB   ARG  35          1HB       ARG  35   5.235   5.957  -6.360
  233   1HG   ARG  35          2HG       ARG  35   2.776   6.624  -6.307
  234   2HG   ARG  35          1HG       ARG  35   2.970   7.018  -8.015
  235   1HD   ARG  35          2HD       ARG  35   3.584   4.341  -6.769
  236   2HD   ARG  35          1HD       ARG  35   2.103   4.732  -7.638
  237    HE   ARG  35           HE       ARG  35   4.744   4.303  -8.779
  238   1HH1  ARG  35          1HH1      ARG  35   1.444   5.315  -9.273
  239   2HH1  ARG  35          2HH1      ARG  35   1.501   5.094 -10.988
  240   1HH2  ARG  35          1HH2      ARG  35   4.824   4.012 -11.035
  241   2HH2  ARG  35          2HH2      ARG  35   3.421   4.354 -11.991
  242    H    SER  36           H        SER  36   2.914   8.560  -4.906
  243    HA   SER  36           HA       SER  36   1.572  10.058  -6.978
  244   1HB   SER  36          2HB       SER  36   0.264   8.523  -5.641
  245   2HB   SER  36          1HB       SER  36   0.753   9.335  -4.157
  246    HG   SER  36           HG       SER  36  -0.939  10.530  -4.461
  247    H    ASP  37           H        ASP  37   1.229  11.063  -3.655
  248    HA   ASP  37           HA       ASP  37   2.992  13.223  -3.597
  249   1HB   ASP  37          2HB       ASP  37   1.802  14.176  -5.450
  250   2HB   ASP  37          1HB       ASP  37   0.248  13.882  -4.675
  251    H    THR  38           H        THR  38  -0.102  11.886  -2.646
  252    HA   THR  38           HA       THR  38   0.015  13.336  -0.101
  253    HB   THR  38           HB       THR  38  -2.295  11.969   0.077
  254    HG1  THR  38           1HG      THR  38  -2.295  10.967  -1.856
  255   1HG2  THR  38          1HG2      THR  38  -3.402  13.912  -0.292
  256   2HG2  THR  38          2HG2      THR  38  -2.434  14.330  -1.706
  257   3HG2  THR  38          3HG2      THR  38  -1.768  14.545  -0.086
  258    HA   PRO  39           HA       PRO  39   1.469   9.824   2.141
  259   1HB   PRO  39          2HB       PRO  39  -0.167  10.690   4.421
  260   2HB   PRO  39          1HB       PRO  39   1.590  10.617   4.269
  261   1HG   PRO  39          2HG       PRO  39   0.261  12.957   4.336
  262   2HG   PRO  39          1HG       PRO  39   1.735  12.736   3.376
  263   1HD   PRO  39          2HD       PRO  39  -1.125  12.745   2.485
  264   2HD   PRO  39          1HD       PRO  39   0.300  13.469   1.711
  265    H    ILE  40           H        ILE  40   0.090   8.402   0.763
  266    HA   ILE  40           HA       ILE  40  -2.498   7.661   1.153
  267    HB   ILE  40           HB       ILE  40  -0.189   5.784   0.635
  268   1HG1  ILE  40          2HG1      ILE  40  -2.082   7.177  -1.272
  269   2HG1  ILE  40          1HG1      ILE  40  -0.403   7.627  -0.997
  270   1HG2  ILE  40          1HG2      ILE  40  -1.967   4.403   1.271
  271   2HG2  ILE  40          2HG2      ILE  40  -2.045   4.432  -0.491
  272   3HG2  ILE  40          3HG2      ILE  40  -3.161   5.415   0.458
  273   1HD1  ILE  40          1HD1      ILE  40  -0.202   4.980  -1.643
  274   2HD1  ILE  40          2HD1      ILE  40   0.034   6.331  -2.750
  275   3HD1  ILE  40          3HD1      ILE  40  -1.532   5.527  -2.662
  276    H    GLU  41           H        GLU  41  -3.574   6.028   2.371
  277    HA   GLU  41           HA       GLU  41  -2.206   5.327   4.890
  278   1HB   GLU  41          2HB       GLU  41  -5.051   6.232   4.467
  279   2HB   GLU  41          1HB       GLU  41  -4.494   5.479   5.955
  280   1HG   GLU  41          2HG       GLU  41  -2.698   7.351   5.921
  281   2HG   GLU  41          1HG       GLU  41  -3.814   8.151   4.816
  282    H    LEU  42           H        LEU  42  -3.818   3.624   6.078
  283    HA   LEU  42           HA       LEU  42  -4.306   1.494   4.102
  284   1HB   LEU  42          2HB       LEU  42  -2.553   1.490   6.317
  285   2HB   LEU  42          1HB       LEU  42  -3.889   0.431   6.733
  286    HG   LEU  42           HG       LEU  42  -1.792  -0.557   5.554
  287   1HD1  LEU  42          1HD1      LEU  42  -3.113  -2.327   5.384
  288   2HD1  LEU  42          2HD1      LEU  42  -3.967  -1.612   4.017
  289   3HD1  LEU  42          3HD1      LEU  42  -4.500  -1.274   5.664
  290   1HD2  LEU  42          1HD2      LEU  42  -1.564  -0.326   3.289
  291   2HD2  LEU  42          2HD2      LEU  42  -2.138   1.287   3.715
  292   3HD2  LEU  42          3HD2      LEU  42  -3.258   0.099   3.049
  293    H    VAL  43           H        VAL  43  -6.085   0.147   4.398
  294    HA   VAL  43           HA       VAL  43  -7.978   0.934   6.501
  295    HB   VAL  43           HB       VAL  43  -9.178   0.205   3.903
  296   1HG1  VAL  43          1HG1      VAL  43  -9.766   1.976   6.221
  297   2HG1  VAL  43          2HG1      VAL  43 -10.778   0.756   5.446
  298   3HG1  VAL  43          3HG1      VAL  43 -10.534   2.323   4.671
  299   1HG2  VAL  43          1HG2      VAL  43  -7.820   1.634   2.781
  300   2HG2  VAL  43          2HG2      VAL  43  -7.406   2.551   4.229
  301   3HG2  VAL  43          3HG2      VAL  43  -8.950   2.825   3.424
  302    H    HIS  44           H        HIS  44  -7.121  -1.456   4.036
  303    HA   HIS  44           HA       HIS  44  -7.967  -3.571   5.872
  304   1HB   HIS  44          2HB       HIS  44  -8.668  -4.215   3.115
  305   2HB   HIS  44          1HB       HIS  44  -9.621  -4.385   4.584
  306    HD1  HIS  44           1HD      HIS  44 -10.706  -1.986   5.428
  307    HD2  HIS  44           2HD      HIS  44  -9.617  -2.322   1.432
  308    HE1  HIS  44           1HE      HIS  44 -11.952  -0.155   4.234
  309    HE2  HIS  44           2HE      HIS  44 -11.219  -0.332   1.831
  310    H    LYS  45           H        LYS  45  -6.663  -5.319   5.863
  311    HA   LYS  45           HA       LYS  45  -4.295  -5.196   4.182
  312   1HB   LYS  45          2HB       LYS  45  -3.364  -6.870   5.652
  313   2HB   LYS  45          1HB       LYS  45  -4.105  -5.607   6.625
  314   1HG   LYS  45          2HG       LYS  45  -5.428  -7.072   7.628
  315   2HG   LYS  45          1HG       LYS  45  -6.011  -7.685   6.079
  316   1HD   LYS  45          2HD       LYS  45  -4.484  -9.392   6.025
  317   2HD   LYS  45          1HD       LYS  45  -3.300  -8.508   6.991
  318   1HE   LYS  45          2HE       LYS  45  -4.601 -10.538   8.012
  319   2HE   LYS  45          1HE       LYS  45  -4.278  -9.101   8.982
  320   1HZ   LYS  45          1HZ       LYS  45  -6.466  -8.385   8.781
  321   2HZ   LYS  45          2HZ       LYS  45  -6.626 -10.053   9.004
  322   3HZ   LYS  45          3HZ       LYS  45  -6.793  -9.388   7.458
  323    H    GLY  46           H        GLY  46  -5.864  -5.672   2.320
  324   1HA   GLY  46          2HA       GLY  46  -5.349  -8.242   1.337
  325   2HA   GLY  46          1HA       GLY  46  -6.983  -8.233   1.987
  326    H    ARG  47           H        ARG  47  -7.782  -8.623  -0.133
  327    HA   ARG  47           HA       ARG  47  -7.358  -6.597  -2.163
  328   1HB   ARG  47          2HB       ARG  47  -9.501  -8.511  -2.678
  329   2HB   ARG  47          1HB       ARG  47  -8.059  -8.161  -3.620
  330   1HG   ARG  47          2HG       ARG  47  -6.835  -9.541  -1.802
  331   2HG   ARG  47          1HG       ARG  47  -8.448 -10.152  -1.428
  332   1HD   ARG  47          2HD       ARG  47  -8.276 -11.588  -3.112
  333   2HD   ARG  47          1HD       ARG  47  -8.158 -10.234  -4.235
  334    HE   ARG  47           HE       ARG  47  -5.636 -10.453  -3.332
  335   1HH1  ARG  47          1HH1      ARG  47  -7.886 -12.791  -4.596
  336   2HH1  ARG  47          2HH1      ARG  47  -6.653 -13.809  -5.264
  337   1HH2  ARG  47          1HH2      ARG  47  -4.004 -11.786  -4.203
  338   2HH2  ARG  47          2HH2      ARG  47  -4.443 -13.238  -5.037
  339    H    CYS  48           H        CYS  48  -8.344  -5.242  -0.149
  340    HA   CYS  48           HA       CYS  48 -10.054  -3.969   0.665
  341   1HB   CYS  48          2HB       CYS  48 -10.106  -3.901  -2.243
  342   2HB   CYS  48          1HB       CYS  48 -11.676  -3.529  -1.545
  Start of MODEL   20
    1   1H    LYS   1          1HT       LYS   1  14.575  11.321   2.112
    2   2H    LYS   1          2HT       LYS   1  15.526  10.468   0.966
    3   3H    LYS   1          3HT       LYS   1  16.091  10.667   2.571
    4    HA   LYS   1           HA       LYS   1  14.788   8.539   1.593
    5   1HB   LYS   1          2HB       LYS   1  14.504   8.087   4.131
    6   2HB   LYS   1          1HB       LYS   1  16.124   8.308   3.488
    7   1HG   LYS   1          2HG       LYS   1  14.842  10.777   4.404
    8   2HG   LYS   1          1HG       LYS   1  15.125   9.578   5.667
    9   1HD   LYS   1          2HD       LYS   1  17.481   9.527   4.273
   10   2HD   LYS   1          1HD       LYS   1  17.026  11.229   4.179
   11   1HE   LYS   1          2HE       LYS   1  17.090  11.502   6.483
   12   2HE   LYS   1          1HE       LYS   1  16.913   9.776   6.792
   13   1HZ   LYS   1          1HZ       LYS   1  19.205   9.693   5.567
   14   2HZ   LYS   1          2HZ       LYS   1  19.121  10.060   7.215
   15   3HZ   LYS   1          3HZ       LYS   1  19.312  11.301   6.082
   16    HA   PRO   2           HA       PRO   2  10.684  10.935   1.884
   17   1HB   PRO   2          2HB       PRO   2  10.362   9.232  -0.543
   18   2HB   PRO   2          1HB       PRO   2   9.845  10.898  -0.259
   19   1HG   PRO   2          2HG       PRO   2  11.974  10.394  -1.767
   20   2HG   PRO   2          1HG       PRO   2  11.968  11.763  -0.638
   21   1HD   PRO   2          2HD       PRO   2  13.319   9.110  -0.396
   22   2HD   PRO   2          1HD       PRO   2  13.870  10.712   0.134
   23    H    ASP   3           H        ASP   3   8.532   9.448   1.013
   24    HA   ASP   3           HA       ASP   3   8.310   7.507   3.121
   25   1HB   ASP   3          2HB       ASP   3   6.527   9.179   1.886
   26   2HB   ASP   3          1HB       ASP   3   6.111   7.612   1.199
   27    H    CYS   4           H        CYS   4  10.239   6.598   1.417
   28    HA   CYS   4           HA       CYS   4   8.895   4.358   0.059
   29   1HB   CYS   4          2HB       CYS   4  11.198   6.060  -0.730
   30   2HB   CYS   4          1HB       CYS   4  11.312   4.347  -1.119
   31    HA   PRO   5           HA       PRO   5  11.361   1.937   2.874
   32   1HB   PRO   5          2HB       PRO   5  10.059  -0.355   2.520
   33   2HB   PRO   5          1HB       PRO   5   9.229   1.050   3.198
   34   1HG   PRO   5          2HG       PRO   5   8.968  -0.172   0.521
   35   2HG   PRO   5          1HG       PRO   5   7.814   0.830   1.416
   36   1HD   PRO   5          2HD       PRO   5   9.705   1.630  -0.637
   37   2HD   PRO   5          1HD       PRO   5   8.450   2.605   0.146
   38    H    LEU   6           H        LEU   6  12.654   2.375   0.375
   39    HA   LEU   6           HA       LEU   6  13.918   1.319  -1.277
   40   1HB   LEU   6          2HB       LEU   6  14.933   0.626   1.444
   41   2HB   LEU   6          1HB       LEU   6  15.738  -0.055   0.042
   42    HG   LEU   6           HG       LEU   6  15.290   2.901   0.213
   43   1HD1  LEU   6          1HD1      LEU   6  17.711   1.524   1.346
   44   2HD1  LEU   6          2HD1      LEU   6  16.356   2.062   2.340
   45   3HD1  LEU   6          3HD1      LEU   6  17.294   3.237   1.418
   46   1HD2  LEU   6          1HD2      LEU   6  16.442   1.170  -1.648
   47   2HD2  LEU   6          2HD2      LEU   6  17.798   1.967  -0.849
   48   3HD2  LEU   6          3HD2      LEU   6  16.540   2.930  -1.623
   49    H    ILE   7           H        ILE   7  11.637  -0.066  -1.364
   50    HA   ILE   7           HA       ILE   7  10.774  -2.031  -2.124
   51    HB   ILE   7           HB       ILE   7  13.688  -2.771  -2.178
   52   1HG1  ILE   7          2HG1      ILE   7  12.735  -1.270  -3.927
   53   2HG1  ILE   7          1HG1      ILE   7  13.368  -2.779  -4.576
   54   1HG2  ILE   7          1HG2      ILE   7  12.485  -4.799  -1.550
   55   2HG2  ILE   7          2HG2      ILE   7  13.087  -4.916  -3.203
   56   3HG2  ILE   7          3HG2      ILE   7  11.381  -4.579  -2.908
   57   1HD1  ILE   7          1HD1      ILE   7  11.387  -3.373  -5.391
   58   2HD1  ILE   7          2HD1      ILE   7  10.912  -1.697  -5.113
   59   3HD1  ILE   7          3HD1      ILE   7  10.544  -2.930  -3.906
   60    H    CYS   8           H        CYS   8  10.298  -4.247  -1.420
   61    HA   CYS   8           HA       CYS   8  11.144  -4.862   1.302
   62   1HB   CYS   8          2HB       CYS   8   8.630  -3.766   0.667
   63   2HB   CYS   8          1HB       CYS   8   8.370  -5.450   1.081
   64    H    THR   9           H        THR   9   9.488  -6.934   1.798
   65    HA   THR   9           HA       THR   9  10.708  -9.054   0.371
   66    HB   THR   9           HB       THR   9  10.172  -9.509   2.610
   67    HG1  THR   9           1HG      THR   9   9.180 -11.353   2.334
   68   1HG2  THR   9          1HG2      THR   9   7.403  -9.412   2.895
   69   2HG2  THR   9          2HG2      THR   9   7.846  -7.899   2.103
   70   3HG2  THR   9          3HG2      THR   9   8.596  -8.344   3.637
   71    H    MET  10           H        MET  10   9.114 -10.950  -0.294
   72    HA   MET  10           HA       MET  10   7.238  -9.804  -2.255
   73   1HB   MET  10          2HB       MET  10   9.199 -10.971  -3.235
   74   2HB   MET  10          1HB       MET  10   8.715 -12.441  -2.401
   75   1HG   MET  10          2HG       MET  10   7.531 -12.973  -4.187
   76   2HG   MET  10          1HG       MET  10   6.448 -11.638  -3.796
   77   1HE   MET  10          1HE       MET  10   7.641 -13.191  -6.604
   78   2HE   MET  10          2HE       MET  10   7.565 -11.869  -7.770
   79   3HE   MET  10          3HE       MET  10   6.191 -12.191  -6.712
   80    H    GLN  11           H        GLN  11   6.701 -10.498   0.539
   81    HA   GLN  11           HA       GLN  11   5.141 -12.919   0.499
   82   1HB   GLN  11          2HB       GLN  11   6.079 -11.018   2.502
   83   2HB   GLN  11          1HB       GLN  11   4.409 -11.501   2.771
   84   1HG   GLN  11          2HG       GLN  11   6.780 -13.338   2.513
   85   2HG   GLN  11          1HG       GLN  11   5.919 -12.934   3.998
   86   1HE2  GLN  11          1HE2      GLN  11   6.293 -15.547   3.091
   87   2HE2  GLN  11          2HE2      GLN  11   4.752 -16.214   2.683
   88    H    TYR  12           H        TYR  12   4.061 -11.866  -1.467
   89    HA   TYR  12           HA       TYR  12   2.403  -9.953  -1.898
   90   1HB   TYR  12          2HB       TYR  12   2.256 -12.714  -2.518
   91   2HB   TYR  12          1HB       TYR  12   0.635 -12.185  -2.082
   92    HD1  TYR  12           1HD      TYR  12  -0.684 -11.593  -3.864
   93    HD2  TYR  12           2HD      TYR  12   3.492 -10.808  -4.079
   94    HE1  TYR  12           1HE      TYR  12  -0.986 -10.645  -6.112
   95    HE2  TYR  12           2HE      TYR  12   3.200  -9.855  -6.328
   96    HH   TYR  12           HH       TYR  12   0.175  -9.062  -7.616
   97    H    ASP  13           H        ASP  13   1.756  -8.744  -0.163
   98    HA   ASP  13           HA       ASP  13  -0.491  -9.849   1.386
   99   1HB   ASP  13          2HB       ASP  13   1.946  -8.867   2.402
  100   2HB   ASP  13          1HB       ASP  13   0.757  -7.603   2.707
  101    HA   PRO  14           HA       PRO  14  -1.632  -6.309  -1.512
  102   1HB   PRO  14          2HB       PRO  14  -4.175  -7.487  -1.779
  103   2HB   PRO  14          1HB       PRO  14  -2.859  -7.551  -2.954
  104   1HG   PRO  14          2HG       PRO  14  -3.659  -9.546  -0.890
  105   2HG   PRO  14          1HG       PRO  14  -3.023  -9.810  -2.525
  106   1HD   PRO  14          2HD       PRO  14  -1.465 -10.157  -0.388
  107   2HD   PRO  14          1HD       PRO  14  -0.820  -9.399  -1.863
  108    H    VAL  15           H        VAL  15  -1.780  -4.736   0.043
  109    HA   VAL  15           HA       VAL  15  -4.068  -4.855   1.875
  110    HB   VAL  15           HB       VAL  15  -2.884  -3.186   3.199
  111   1HG1  VAL  15          1HG1      VAL  15  -1.613  -4.711   4.268
  112   2HG1  VAL  15          2HG1      VAL  15  -0.720  -5.137   2.808
  113   3HG1  VAL  15          3HG1      VAL  15  -2.322  -5.817   3.092
  114   1HG2  VAL  15          1HG2      VAL  15  -1.316  -2.926   0.800
  115   2HG2  VAL  15          2HG2      VAL  15  -0.284  -3.202   2.204
  116   3HG2  VAL  15          3HG2      VAL  15  -1.419  -1.853   2.196
  117    H    CYS  16           H        CYS  16  -5.684  -3.570   1.584
  118    HA   CYS  16           HA       CYS  16  -5.682  -1.673  -0.565
  119   1HB   CYS  16          2HB       CYS  16  -7.600  -3.167   0.866
  120   2HB   CYS  16          1HB       CYS  16  -7.981  -1.477   1.090
  121    H    GLY  17           H        GLY  17  -5.095   0.385  -0.387
  122   1HA   GLY  17          2HA       GLY  17  -4.834   1.484   2.307
  123   2HA   GLY  17          1HA       GLY  17  -4.025   2.095   0.878
  124    H    SER  18           H        SER  18  -5.869   3.182   3.023
  125    HA   SER  18           HA       SER  18  -8.308   3.934   2.033
  126   1HB   SER  18          2HB       SER  18  -6.716   5.974   3.525
  127   2HB   SER  18          1HB       SER  18  -8.393   5.480   3.748
  128    HG   SER  18           HG       SER  18  -6.658   4.783   5.336
  129    H    ASP  19           H        ASP  19  -8.383   4.345  -0.007
  130    HA   ASP  19           HA       ASP  19  -8.131   6.875  -1.048
  131   1HB   ASP  19          2HB       ASP  19  -6.185   6.623  -2.580
  132   2HB   ASP  19          1HB       ASP  19  -5.708   6.644  -0.885
  133    H    GLY  20           H        GLY  20  -8.034   3.435  -1.485
  134   1HA   GLY  20          2HA       GLY  20  -9.911   2.429  -2.661
  135   2HA   GLY  20          1HA       GLY  20  -9.753   3.709  -3.858
  136    H    ILE  21           H        ILE  21  -6.984   2.046  -2.437
  137    HA   ILE  21           HA       ILE  21  -6.699   0.551  -4.960
  138    HB   ILE  21           HB       ILE  21  -4.570   2.291  -3.741
  139   1HG1  ILE  21          2HG1      ILE  21  -6.320   3.451  -5.086
  140   2HG1  ILE  21          1HG1      ILE  21  -4.708   3.570  -5.786
  141   1HG2  ILE  21          1HG2      ILE  21  -3.423   0.400  -4.515
  142   2HG2  ILE  21          2HG2      ILE  21  -3.301   1.561  -5.837
  143   3HG2  ILE  21          3HG2      ILE  21  -4.466   0.240  -5.929
  144   1HD1  ILE  21          1HD1      ILE  21  -7.000   2.809  -7.090
  145   2HD1  ILE  21          2HD1      ILE  21  -6.182   1.278  -6.779
  146   3HD1  ILE  21          3HD1      ILE  21  -5.349   2.562  -7.656
  147    H    THR  22           H        THR  22  -5.774  -1.409  -4.842
  148    HA   THR  22           HA       THR  22  -5.061  -2.407  -2.176
  149    HB   THR  22           HB       THR  22  -5.811  -3.833  -4.735
  150    HG1  THR  22           1HG      THR  22  -7.109  -4.097  -2.266
  151   1HG2  THR  22          1HG2      THR  22  -4.793  -5.655  -4.013
  152   2HG2  THR  22          2HG2      THR  22  -5.877  -5.651  -2.621
  153   3HG2  THR  22          3HG2      THR  22  -4.307  -4.853  -2.519
  154    H    TYR  23           H        TYR  23  -2.960  -2.000  -1.831
  155    HA   TYR  23           HA       TYR  23  -1.028  -2.163  -3.954
  156   1HB   TYR  23          2HB       TYR  23  -0.550  -1.666  -1.017
  157   2HB   TYR  23          1HB       TYR  23   0.492  -1.234  -2.367
  158    HD1  TYR  23           1HD      TYR  23  -2.588  -0.410  -0.574
  159    HD2  TYR  23           2HD      TYR  23  -0.072   0.637  -3.840
  160    HE1  TYR  23           1HE      TYR  23  -3.817   1.702  -0.837
  161    HE2  TYR  23           2HE      TYR  23  -1.286   2.763  -4.095
  162    HH   TYR  23           HH       TYR  23  -3.327   3.792  -3.554
  163    H    GLY  24           H        GLY  24   0.617  -3.542  -4.173
  164   1HA   GLY  24          2HA       GLY  24   0.250  -6.227  -3.575
  165   2HA   GLY  24          1HA       GLY  24   1.786  -5.515  -4.045
  166    H    ASN  25           H        ASN  25   1.378  -3.752  -1.545
  167    HA   ASN  25           HA       ASN  25   1.439  -5.299   0.736
  168   1HB   ASN  25          2HB       ASN  25   3.984  -5.251  -0.771
  169   2HB   ASN  25          1HB       ASN  25   4.111  -4.965   0.963
  170   1HD2  ASN  25          1HD2      ASN  25   5.304  -7.137  -0.086
  171   2HD2  ASN  25          2HD2      ASN  25   4.461  -8.574   0.371
  172    H    ALA  26           H        ALA  26   1.928  -4.111   2.618
  173    HA   ALA  26           HA       ALA  26   1.351  -1.406   2.543
  174   1HB   ALA  26          1HB       ALA  26   2.825  -3.022   4.618
  175   2HB   ALA  26          2HB       ALA  26   1.122  -2.563   4.609
  176   3HB   ALA  26          3HB       ALA  26   2.365  -1.336   4.853
  177    H    CYS  27           H        CYS  27   4.349  -3.108   2.125
  178    HA   CYS  27           HA       CYS  27   6.057  -0.828   2.399
  179   1HB   CYS  27          2HB       CYS  27   6.435  -3.574   1.225
  180   2HB   CYS  27          1HB       CYS  27   7.683  -2.341   1.152
  181    H    MET  28           H        MET  28   4.489  -2.527  -0.265
  182    HA   MET  28           HA       MET  28   5.751  -1.094  -2.344
  183   1HB   MET  28          2HB       MET  28   3.127  -2.589  -2.192
  184   2HB   MET  28          1HB       MET  28   3.744  -1.883  -3.681
  185   1HG   MET  28          2HG       MET  28   5.871  -3.363  -2.694
  186   2HG   MET  28          1HG       MET  28   4.456  -4.361  -2.373
  187   1HE   MET  28          1HE       MET  28   7.071  -3.393  -4.329
  188   2HE   MET  28          2HE       MET  28   6.569  -3.095  -5.995
  189   3HE   MET  28          3HE       MET  28   6.978  -4.730  -5.476
  190    H    LEU  29           H        LEU  29   3.190  -0.428  -0.153
  191    HA   LEU  29           HA       LEU  29   1.902   1.625  -1.556
  192   1HB   LEU  29          2HB       LEU  29   1.672   0.351   0.936
  193   2HB   LEU  29          1HB       LEU  29   1.861   2.063   1.273
  194    HG   LEU  29           HG       LEU  29  -0.314   0.657  -0.181
  195   1HD1  LEU  29          1HD1      LEU  29  -0.104   1.612   2.324
  196   2HD1  LEU  29          2HD1      LEU  29  -1.629   1.490   1.446
  197   3HD1  LEU  29          3HD1      LEU  29  -0.763   3.026   1.500
  198   1HD2  LEU  29          1HD2      LEU  29  -1.072   2.976  -0.896
  199   2HD2  LEU  29          2HD2      LEU  29   0.248   2.269  -1.812
  200   3HD2  LEU  29          3HD2      LEU  29   0.582   3.493  -0.598
  201    H    LEU  30           H        LEU  30   4.327   1.767   1.043
  202    HA   LEU  30           HA       LEU  30   4.642   4.500   1.148
  203   1HB   LEU  30          2HB       LEU  30   7.054   2.727   1.218
  204   2HB   LEU  30          1HB       LEU  30   6.716   4.153   2.175
  205    HG   LEU  30           HG       LEU  30   5.599   1.387   2.515
  206   1HD1  LEU  30          1HD1      LEU  30   7.258   1.226   3.977
  207   2HD1  LEU  30          2HD1      LEU  30   6.489   2.500   4.923
  208   3HD1  LEU  30          3HD1      LEU  30   7.709   2.911   3.718
  209   1HD2  LEU  30          1HD2      LEU  30   4.314   2.400   4.429
  210   2HD2  LEU  30          2HD2      LEU  30   3.714   2.798   2.819
  211   3HD2  LEU  30          3HD2      LEU  30   4.662   3.979   3.724
  212    H    GLY  31           H        GLY  31   5.962   2.168  -1.131
  213   1HA   GLY  31          2HA       GLY  31   7.643   3.911  -2.576
  214   2HA   GLY  31          1HA       GLY  31   6.895   2.452  -3.221
  215    H    ALA  32           H        ALA  32   4.242   3.314  -2.583
  216    HA   ALA  32           HA       ALA  32   3.630   4.754  -4.966
  217   1HB   ALA  32          1HB       ALA  32   1.469   4.130  -4.577
  218   2HB   ALA  32          2HB       ALA  32   1.606   4.355  -2.832
  219   3HB   ALA  32          3HB       ALA  32   2.299   2.923  -3.596
  220    H    SER  33           H        SER  33   3.043   5.459  -1.513
  221    HA   SER  33           HA       SER  33   2.159   8.076  -1.853
  222   1HB   SER  33          2HB       SER  33   1.879   6.950   0.270
  223   2HB   SER  33          1HB       SER  33   3.625   6.818   0.476
  224    HG   SER  33           HG       SER  33   3.744   8.903   0.976
  225    H    CYS  34           H        CYS  34   5.430   6.895  -1.131
  226    HA   CYS  34           HA       CYS  34   6.679   9.407  -1.114
  227   1HB   CYS  34          2HB       CYS  34   8.269   8.058  -0.325
  228   2HB   CYS  34          1HB       CYS  34   7.492   6.641  -0.998
  229    H    ARG  35           H        ARG  35   5.716   7.391  -3.807
  230    HA   ARG  35           HA       ARG  35   7.177   9.205  -5.616
  231   1HB   ARG  35          2HB       ARG  35   6.223   6.375  -5.959
  232   2HB   ARG  35          1HB       ARG  35   6.704   7.365  -7.330
  233   1HG   ARG  35          2HG       ARG  35   8.915   7.356  -6.742
  234   2HG   ARG  35          1HG       ARG  35   8.570   7.121  -5.027
  235   1HD   ARG  35          2HD       ARG  35   8.893   4.941  -5.257
  236   2HD   ARG  35          1HD       ARG  35   7.581   4.866  -6.433
  237    HE   ARG  35           HE       ARG  35   9.564   5.683  -7.982
  238   1HH1  ARG  35          1HH1      ARG  35   9.525   3.211  -5.529
  239   2HH1  ARG  35          2HH1      ARG  35  10.752   2.255  -6.290
  240   1HH2  ARG  35          1HH2      ARG  35  11.182   4.430  -8.993
  241   2HH2  ARG  35          2HH2      ARG  35  11.692   2.946  -8.259
  242    H    SER  36           H        SER  36   4.257   9.179  -4.333
  243    HA   SER  36           HA       SER  36   2.821   9.667  -6.836
  244   1HB   SER  36          2HB       SER  36   1.859   8.026  -5.271
  245   2HB   SER  36          1HB       SER  36   1.732   9.273  -4.040
  246    HG   SER  36           HG       SER  36   0.587   9.831  -6.512
  247    H    ASP  37           H        ASP  37   1.647  11.048  -3.876
  248    HA   ASP  37           HA       ASP  37   2.845  13.577  -3.995
  249   1HB   ASP  37          2HB       ASP  37   1.102  13.228  -6.112
  250   2HB   ASP  37          1HB       ASP  37   0.105  14.050  -4.915
  251    H    THR  38           H        THR  38   0.010  11.660  -3.251
  252    HA   THR  38           HA       THR  38  -0.391  13.255  -0.807
  253    HB   THR  38           HB       THR  38  -2.415  13.410  -1.948
  254    HG1  THR  38           1HG      THR  38  -2.989  10.995  -0.648
  255   1HG2  THR  38          1HG2      THR  38  -1.820  10.673  -2.939
  256   2HG2  THR  38          2HG2      THR  38  -2.363  12.103  -3.817
  257   3HG2  THR  38          3HG2      THR  38  -3.501  11.192  -2.823
  258    HA   PRO  39           HA       PRO  39   1.044   9.643   1.343
  259   1HB   PRO  39          2HB       PRO  39   0.373  10.405   3.851
  260   2HB   PRO  39          1HB       PRO  39   1.737  11.114   2.977
  261   1HG   PRO  39          2HG       PRO  39  -1.046  12.177   3.324
  262   2HG   PRO  39          1HG       PRO  39   0.501  13.032   3.476
  263   1HD   PRO  39          2HD       PRO  39  -1.018  13.187   1.245
  264   2HD   PRO  39          1HD       PRO  39   0.756  13.239   1.188
  265    H    ILE  40           H        ILE  40  -0.675   8.333   0.304
  266    HA   ILE  40           HA       ILE  40  -3.278   8.098   1.229
  267    HB   ILE  40           HB       ILE  40  -3.394   6.020   0.134
  268   1HG1  ILE  40          2HG1      ILE  40  -1.202   5.223   1.382
  269   2HG1  ILE  40          1HG1      ILE  40  -1.714   4.470  -0.118
  270   1HG2  ILE  40          1HG2      ILE  40  -2.898   7.995  -1.300
  271   2HG2  ILE  40          2HG2      ILE  40  -2.440   6.448  -2.012
  272   3HG2  ILE  40          3HG2      ILE  40  -1.206   7.495  -1.311
  273   1HD1  ILE  40          1HD1      ILE  40   0.075   5.204  -1.239
  274   2HD1  ILE  40          2HD1      ILE  40   0.772   5.396   0.369
  275   3HD1  ILE  40          3HD1      ILE  40   0.051   6.781  -0.451
  276    H    GLU  41           H        GLU  41  -4.079   5.939   2.317
  277    HA   GLU  41           HA       GLU  41  -2.338   5.353   4.621
  278   1HB   GLU  41          2HB       GLU  41  -5.295   5.956   4.737
  279   2HB   GLU  41          1HB       GLU  41  -4.336   5.369   6.087
  280   1HG   GLU  41          2HG       GLU  41  -2.889   7.418   5.779
  281   2HG   GLU  41          1HG       GLU  41  -4.142   8.016   4.692
  282    H    LEU  42           H        LEU  42  -3.616   3.518   5.974
  283    HA   LEU  42           HA       LEU  42  -4.195   1.390   4.022
  284   1HB   LEU  42          2HB       LEU  42  -2.305   1.481   6.132
  285   2HB   LEU  42          1HB       LEU  42  -3.546   0.330   6.594
  286    HG   LEU  42           HG       LEU  42  -1.645  -0.733   5.430
  287   1HD1  LEU  42          1HD1      LEU  42  -3.511  -1.327   3.389
  288   2HD1  LEU  42          2HD1      LEU  42  -4.411  -1.032   4.877
  289   3HD1  LEU  42          3HD1      LEU  42  -3.139  -2.253   4.842
  290   1HD2  LEU  42          1HD2      LEU  42  -2.470   0.288   2.802
  291   2HD2  LEU  42          2HD2      LEU  42  -0.864  -0.095   3.421
  292   3HD2  LEU  42          3HD2      LEU  42  -1.621   1.445   3.827
  293    H    VAL  43           H        VAL  43  -6.097   0.340   4.159
  294    HA   VAL  43           HA       VAL  43  -7.835   1.033   6.429
  295    HB   VAL  43           HB       VAL  43  -9.580   0.108   4.583
  296   1HG1  VAL  43          1HG1      VAL  43  -9.180   2.418   5.897
  297   2HG1  VAL  43          2HG1      VAL  43 -10.416   2.201   4.657
  298   3HG1  VAL  43          3HG1      VAL  43  -8.872   2.946   4.242
  299   1HG2  VAL  43          1HG2      VAL  43  -7.281   1.335   3.084
  300   2HG2  VAL  43          2HG2      VAL  43  -8.920   1.273   2.435
  301   3HG2  VAL  43          3HG2      VAL  43  -8.060  -0.223   2.805
  302    H    HIS  44           H        HIS  44  -7.168  -1.596   4.125
  303    HA   HIS  44           HA       HIS  44  -7.527  -3.515   6.291
  304   1HB   HIS  44          2HB       HIS  44  -8.802  -4.707   4.072
  305   2HB   HIS  44          1HB       HIS  44  -9.529  -4.227   5.601
  306    HD1  HIS  44           1HD      HIS  44 -10.935  -2.078   5.619
  307    HD2  HIS  44           2HD      HIS  44  -9.230  -2.932   1.927
  308    HE1  HIS  44           1HE      HIS  44 -12.066  -0.540   3.984
  309    HE2  HIS  44           2HE      HIS  44 -10.988  -1.042   1.763
  310    H    LYS  45           H        LYS  45  -6.050  -5.079   6.216
  311    HA   LYS  45           HA       LYS  45  -4.086  -5.082   4.134
  312   1HB   LYS  45          2HB       LYS  45  -3.332  -7.204   5.500
  313   2HB   LYS  45          1HB       LYS  45  -3.099  -5.587   6.148
  314   1HG   LYS  45          2HG       LYS  45  -4.639  -5.869   7.785
  315   2HG   LYS  45          1HG       LYS  45  -5.648  -6.936   6.806
  316   1HD   LYS  45          2HD       LYS  45  -3.124  -8.194   7.289
  317   2HD   LYS  45          1HD       LYS  45  -3.807  -7.645   8.822
  318   1HE   LYS  45          2HE       LYS  45  -5.050  -9.486   6.791
  319   2HE   LYS  45          1HE       LYS  45  -4.602  -9.853   8.457
  320   1HZ   LYS  45          1HZ       LYS  45  -6.652  -9.305   9.041
  321   2HZ   LYS  45          2HZ       LYS  45  -7.034  -8.818   7.467
  322   3HZ   LYS  45          3HZ       LYS  45  -6.361  -7.711   8.554
  323    H    GLY  46           H        GLY  46  -6.010  -5.550   2.567
  324   1HA   GLY  46          2HA       GLY  46  -5.614  -8.183   1.573
  325   2HA   GLY  46          1HA       GLY  46  -7.199  -8.033   2.321
  326    H    ARG  47           H        ARG  47  -7.794  -8.584   0.027
  327    HA   ARG  47           HA       ARG  47  -7.504  -6.486  -1.924
  328   1HB   ARG  47          2HB       ARG  47  -9.425  -8.782  -2.170
  329   2HB   ARG  47          1HB       ARG  47  -8.541  -7.940  -3.438
  330   1HG   ARG  47          2HG       ARG  47  -6.447  -8.909  -2.200
  331   2HG   ARG  47          1HG       ARG  47  -7.618 -10.074  -1.577
  332   1HD   ARG  47          2HD       ARG  47  -8.319 -10.398  -4.017
  333   2HD   ARG  47          1HD       ARG  47  -6.832  -9.543  -4.431
  334    HE   ARG  47           HE       ARG  47  -6.014 -11.511  -2.738
  335   1HH1  ARG  47          1HH1      ARG  47  -7.850 -11.443  -5.694
  336   2HH1  ARG  47          2HH1      ARG  47  -7.329 -13.013  -6.206
  337   1HH2  ARG  47          1HH2      ARG  47  -5.315 -13.580  -3.407
  338   2HH2  ARG  47          2HH2      ARG  47  -5.889 -14.227  -4.907
  339    H    CYS  48           H        CYS  48  -8.593  -5.254   0.156
  340    HA   CYS  48           HA       CYS  48 -10.370  -4.064   0.950
  341   1HB   CYS  48          2HB       CYS  48 -10.426  -3.986  -1.982
  342   2HB   CYS  48          1HB       CYS  48 -11.949  -3.539  -1.220