*HEADER    MEMBRANE PROTEIN                        11-FEB-12   2LPF              
*TITLE     R STATE STRUCTURE OF MONOMERIC PHOSPHOLAMBAN (C36A, C41F, C46A)       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CARDIAC PHOSPHOLAMBAN;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PLB;                                                        
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS;                          
*SOURCE   3 ORGANISM_COMMON: RABBIT;                                             
*SOURCE   4 ORGANISM_TAXID: 9986;                                                
*SOURCE   5 GENE: PLN;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PMAL                                       
*KEYWDS    PHOSPHOLAMBAN, MEMBRANE PROTEIN, EXCITED STATE, DILATED               
*KEYWDS   2 CARDIOMYOPATHY                                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    A.DE SIMONE, R.W.MONTALVAO, M.GUSTAVSSON, L.SHI, G.VEGLIA,            
*AUTHOR   2 M.VENDRUSCOLO                                                        
*REVDAT   1   13-FEB-13 2LPF    0                                                


assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 3 and name N ) ( resid 3 and name HN ) 5.84 1.74 1.74
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 4 and name N ) ( resid 4 and name HN ) -0.12 0.69 0.69
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 5 and name N ) ( resid 5 and name HN ) 1.95 0.36 0.36
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 6 and name N ) ( resid 6 and name HN ) 8.15 1.50 1.50
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 7 and name N ) ( resid 7 and name HN ) -0.49 1.14 1.14
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 8 and name N ) ( resid 8 and name HN ) 0.37 1.39 1.39
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 9 and name N ) ( resid 9 and name HN ) -1.83 1.25 1.25
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 11 and name N ) ( resid 11 and name HN ) 5.60 0.66 0.66
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 12 and name N ) ( resid 12 and name HN ) 1.10 1.34 1.34
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 14 and name N ) ( resid 14 and name HN ) 1.10 1.33 1.33
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 16 and name N ) ( resid 16 and name HN ) -3.53 0.50 0.50
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 17 and name N ) ( resid 17 and name HN ) 2.92 2.15 2.15
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 18 and name N ) ( resid 18 and name HN ) 4.14 1.05 1.05
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 19 and name N ) ( resid 19 and name HN ) -5.48 0.86 0.86
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 20 and name N ) ( resid 20 and name HN ) -3.16 0.59 0.59
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 21 and name N ) ( resid 21 and name HN ) -4.99 0.65 0.65
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 23 and name N ) ( resid 23 and name HN ) -2.68 0.26 0.26
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 24 and name N ) ( resid 24 and name HN ) -1.70 1.84 1.84
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 25 and name N ) ( resid 25 and name HN ) -3.65 0.25 0.25
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 26 and name N ) ( resid 26 and name HN ) -1.83 0.66 0.66
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 27 and name N ) ( resid 27 and name HN ) -2.07 0.99 0.99
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 28 and name N ) ( resid 28 and name HN ) -3.16 0.61 0.61
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 29 and name N ) ( resid 29 and name HN ) -5.48 1.60 1.60
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 30 and name N ) ( resid 30 and name HN ) 9.13 1.04 1.04
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 31 and name N ) ( resid 31 and name HN ) 3.29 1.08 1.08
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 32 and name N ) ( resid 32 and name HN ) -3.04 1.65 1.65
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 34 and name N ) ( resid 34 and name HN ) 14.24 5.90 5.90
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 35 and name N ) ( resid 35 and name HN ) -1.58 1.38 1.38
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 36 and name N ) ( resid 36 and name HN ) 4.14 1.12 1.12
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 37 and name N ) ( resid 37 and name HN ) 16.43 1.64 1.64
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 38 and name N ) ( resid 38 and name HN ) 14.97 3.61 3.61
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 39 and name N ) ( resid 39 and name HN ) 1.95 0.19 0.19
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 41 and name N ) ( resid 41 and name HN ) 8.15 3.12 3.12
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 42 and name N ) ( resid 42 and name HN ) -0.12 2.99 2.99
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 43 and name N ) ( resid 43 and name HN ) 9.37 2.11 2.11
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 44 and name N ) ( resid 44 and name HN ) 15.94 1.39 1.39
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 45 and name N ) ( resid 45 and name HN ) 0.61 4.20 4.20
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 46 and name N ) ( resid 46 and name HN ) -5.48 4.48 4.48
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 47 and name N ) ( resid 47 and name HN ) 5.84 0.05 0.05
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 48 and name N ) ( resid 48 and name HN ) 18.50 0.86 0.86
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 49 and name N ) ( resid 49 and name HN ) 12.05 4.21 4.21
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 50 and name N ) ( resid 50 and name HN ) 2.68 2.18 2.18
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 51 and name N ) ( resid 51 and name HN ) 13.51 5.93 5.93
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 52 and name N ) ( resid 52 and name HN ) 14.36 4.35 4.35
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 53 and name N ) ( resid 53 and name HN ) -9.37 2.31 2.31
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 3 and name N ) ( resid 2 and name C ) -0.44 0.37 0.37
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 4 and name N ) ( resid 3 and name C ) 0.99 0.33 0.33
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 5 and name N ) ( resid 4 and name C ) -1.55 0.18 0.18
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 6 and name N ) ( resid 5 and name C ) 1.11 0.24 0.24
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 7 and name N ) ( resid 6 and name C ) -0.35 0.19 0.19
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 8 and name N ) ( resid 7 and name C ) -0.99 0.25 0.25
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 9 and name N ) ( resid 8 and name C ) -1.09 0.60 0.60
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 10 and name N ) ( resid 9 and name C ) 0.47 0.33 0.33
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 11 and name N ) ( resid 10 and name C ) -1.33 0.31 0.31
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 12 and name N ) ( resid 11 and name C ) -1.17 0.20 0.20
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 13 and name N ) ( resid 12 and name C ) 1.72 0.21 0.21
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 14 and name N ) ( resid 13 and name C ) 0.45 0.26 0.26
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 15 and name N ) ( resid 14 and name C ) -0.27 0.25 0.25
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 16 and name N ) ( resid 15 and name C ) -1.21 0.25 0.25
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 17 and name N ) ( resid 16 and name C ) -0.54 0.19 0.19
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 18 and name N ) ( resid 17 and name C ) -1.63 0.33 0.33
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 19 and name N ) ( resid 18 and name C ) -0.68 0.13 0.13
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 20 and name N ) ( resid 19 and name C ) -1.24 0.22 0.22
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 21 and name N ) ( resid 20 and name C ) -1.22 0.14 0.14
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 23 and name N ) ( resid 22 and name C ) -0.32 0.64 0.64
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 24 and name N ) ( resid 23 and name C ) -0.52 0.37 0.37
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 25 and name N ) ( resid 24 and name C ) 0.14 0.30 0.30
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 26 and name N ) ( resid 25 and name C ) -0.13 0.45 0.45
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 27 and name N ) ( resid 26 and name C ) -0.34 0.33 0.33
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 28 and name N ) ( resid 27 and name C ) -1.10 0.28 0.28
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 29 and name N ) ( resid 28 and name C ) -0.57 0.52 0.52
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 30 and name N ) ( resid 29 and name C ) -1.49 0.55 0.55
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 31 and name N ) ( resid 30 and name C ) 0.61 0.37 0.37
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 32 and name N ) ( resid 31 and name C ) 1.03 0.54 0.54
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 34 and name N ) ( resid 33 and name C ) -1.52 0.92 0.92
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 35 and name N ) ( resid 34 and name C ) 0.81 0.39 0.39
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 36 and name N ) ( resid 35 and name C ) -2.79 0.41 0.41
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 37 and name N ) ( resid 36 and name C ) 0.68 0.90 0.90
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 38 and name N ) ( resid 37 and name C ) 0.39 0.50 0.50
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 39 and name N ) ( resid 38 and name C ) -2.00 0.68 0.68
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 42 and name N ) ( resid 41 and name C ) 0.49 0.39 0.39
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 43 and name N ) ( resid 42 and name C ) -2.11 0.41 0.41
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 44 and name N ) ( resid 43 and name C ) -2.47 0.58 0.58
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 45 and name N ) ( resid 44 and name C ) 0.39 0.48 0.48
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 46 and name N ) ( resid 45 and name C ) -0.07 0.26 0.26
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 47 and name N ) ( resid 46 and name C ) -1.74 0.33 0.33
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 48 and name N ) ( resid 47 and name C ) 0.32 0.54 0.54
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 49 and name N ) ( resid 48 and name C ) -0.03 0.44 0.44
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 50 and name N ) ( resid 49 and name C ) -1.94 0.34 0.34
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 51 and name N ) ( resid 50 and name C ) -1.06 0.78 0.78
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 52 and name N ) ( resid 51 and name C ) -0.33 0.61 0.61
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 53 and name N ) ( resid 52 and name C ) -1.53 0.39 0.39
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 2 and name CA ) ( resid 2 and name C ) -1.04 0.31 0.31
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 3 and name CA ) ( resid 3 and name C ) -0.63 0.30 0.30
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 4 and name CA ) ( resid 4 and name C ) 1.30 0.23 0.23
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 5 and name CA ) ( resid 5 and name C ) -0.32 0.33 0.33
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 6 and name CA ) ( resid 6 and name C ) -1.10 0.26 0.26
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 7 and name CA ) ( resid 7 and name C ) 1.41 0.40 0.40
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 8 and name CA ) ( resid 8 and name C ) 1.05 0.55 0.55
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 9 and name CA ) ( resid 9 and name C ) 0.37 0.40 0.40
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 10 and name CA ) ( resid 10 and name C ) -0.96 0.52 0.52
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 11 and name CA ) ( resid 11 and name C ) 2.21 0.28 0.28
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 12 and name CA ) ( resid 12 and name C ) 0.18 0.37 0.37
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 13 and name CA ) ( resid 13 and name C ) -1.72 0.36 0.36
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 14 and name CA ) ( resid 14 and name C ) 2.64 0.41 0.41
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 15 and name CA ) ( resid 15 and name C ) 1.59 0.30 0.30
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 16 and name CA ) ( resid 16 and name C ) 2.22 0.25 0.25
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 17 and name CA ) ( resid 17 and name C ) -1.84 0.26 0.26
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 18 and name CA ) ( resid 18 and name C ) 0.57 0.15 0.15
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 19 and name CA ) ( resid 19 and name C ) 1.17 0.20 0.20
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 20 and name CA ) ( resid 20 and name C ) -0.41 0.17 0.17
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 22 and name CA ) ( resid 22 and name C ) -0.01 0.41 0.41
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 23 and name CA ) ( resid 23 and name C ) 0.64 0.36 0.36
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 24 and name CA ) ( resid 24 and name C ) -2.82 0.32 0.32
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 25 and name CA ) ( resid 25 and name C ) -0.82 0.34 0.34
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 26 and name CA ) ( resid 26 and name C ) -0.72 0.31 0.31
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 27 and name CA ) ( resid 27 and name C ) -0.84 0.35 0.35
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 28 and name CA ) ( resid 28 and name C ) 2.53 0.61 0.61
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 29 and name CA ) ( resid 29 and name C ) -1.57 0.53 0.53
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 30 and name CA ) ( resid 30 and name C ) -1.31 0.40 0.40
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 31 and name CA ) ( resid 31 and name C ) 1.51 1.38 1.38
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 32 and name CA ) ( resid 32 and name C ) 3.26 0.74 0.74
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 33 and name CA ) ( resid 33 and name C ) -3.07 1.29 1.29
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 34 and name CA ) ( resid 34 and name C ) -0.08 0.53 0.53
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 35 and name CA ) ( resid 35 and name C ) 3.20 1.04 1.04
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 36 and name CA ) ( resid 36 and name C ) -3.57 0.85 0.85
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 37 and name CA ) ( resid 37 and name C ) -1.28 0.73 0.73
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 38 and name CA ) ( resid 38 and name C ) 1.79 0.67 0.67
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 39 and name CA ) ( resid 39 and name C ) -1.10 0.37 0.37
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 40 and name CA ) ( resid 40 and name C ) -4.00 0.70 0.70
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 41 and name CA ) ( resid 41 and name C ) -0.13 0.45 0.45
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 42 and name CA ) ( resid 42 and name C ) 3.56 0.55 0.55
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assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 45 and name CA ) ( resid 45 and name C ) 0.51 0.46 0.46
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 46 and name CA ) ( resid 46 and name C ) 3.00 0.50 0.50
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 47 and name CA ) ( resid 47 and name C ) 0.70 0.74 0.74
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 48 and name CA ) ( resid 48 and name C ) -1.70 0.58 0.58
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 49 and name CA ) ( resid 49 and name C ) 2.10 0.48 0.48
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 50 and name CA ) ( resid 50 and name C ) 3.08 0.66 0.66
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 51 and name CA ) ( resid 51 and name C ) -2.51 0.54 0.54
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 52 and name CA ) ( resid 52 and name C ) -3.02 0.24 0.24
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 3 and name N ) ( resid 3 and name HN ) -1.20  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 4 and name N ) ( resid 4 and name HN ) -6.00  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 5 and name N ) ( resid 5 and name HN ) -6.60  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 6 and name N ) ( resid 6 and name HN ) -4.20  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 7 and name N ) ( resid 7 and name HN ) -7.79  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 8 and name N ) ( resid 8 and name HN ) -5.40  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 9 and name N ) ( resid 9 and name HN ) -6.00  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 11 and name N ) ( resid 11 and name HN ) -6.60  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 12 and name N ) ( resid 12 and name HN ) -4.80  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 14 and name N ) ( resid 14 and name HN ) -1.80  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 16 and name N ) ( resid 16 and name HN ) -6.00  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 17 and name N ) ( resid 17 and name HN ) 8.39  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 18 and name N ) ( resid 18 and name HN ) -4.20  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 19 and name N ) ( resid 19 and name HN ) -10.19  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 20 and name N ) ( resid 20 and name HN ) -8.99  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 21 and name N ) ( resid 21 and name HN ) 0.00  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 23 and name N ) ( resid 23 and name HN ) -4.80  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 24 and name N ) ( resid 24 and name HN ) -8.99  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 25 and name N ) ( resid 25 and name HN ) 1.80  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 27 and name N ) ( resid 27 and name HN ) -6.00  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 28 and name N ) ( resid 28 and name HN ) -2.40  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 29 and name N ) ( resid 29 and name HN ) -4.20  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 30 and name N ) ( resid 30 and name HN ) -2.40  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 31 and name N ) ( resid 31 and name HN ) -4.80  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 32 and name N ) ( resid 32 and name HN ) -6.00  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 34 and name N ) ( resid 34 and name HN ) -0.60  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 35 and name N ) ( resid 35 and name HN ) -2.40  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 36 and name N ) ( resid 36 and name HN ) -4.20  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 37 and name N ) ( resid 37 and name HN ) 4.80  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 38 and name N ) ( resid 38 and name HN ) 6.60  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 41 and name N ) ( resid 41 and name HN ) 5.40  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 42 and name N ) ( resid 42 and name HN ) 4.80  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 43 and name N ) ( resid 43 and name HN ) 0.60  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 44 and name N ) ( resid 44 and name HN ) 3.60  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 45 and name N ) ( resid 45 and name HN ) 8.39  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 48 and name N ) ( resid 48 and name HN ) 10.19  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 49 and name N ) ( resid 49 and name HN ) 7.79  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 50 and name N ) ( resid 50 and name HN ) 0.60  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 51 and name N ) ( resid 51 and name HN ) 7.79  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 52 and name N ) ( resid 52 and name HN ) 15.59  
assign ( resid 500 and name OO ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y  ) ( resid 53 and name N ) ( resid 53 and name HN ) -8.99  

  Entry H atom name         Submitted Coord H atom name
    1    H1   ALA   1           H1       ALA   1  13.945  28.206   4.688
    2    H2   ALA   1           H2       ALA   1  14.428  27.944   6.238
    3    H3   ALA   1           H3       ALA   1  15.500  28.456   5.090
    4    HA   ALA   1           HA       ALA   1  15.857  26.143   5.514
    5    HB1  ALA   1           HB1      ALA   1  13.558  25.621   6.263
    6    HB2  ALA   1           HB2      ALA   1  12.969  25.850   4.603
    7    HB3  ALA   1           HB3      ALA   1  14.087  24.534   4.980
    8    H    MET   2           H        MET   2  15.888  24.439   3.572
    9    HA   MET   2           HA       MET   2  15.860  25.776   0.937
   10    HB2  MET   2           HB3      MET   2  18.156  25.882   1.905
   11    HB3  MET   2           HB2      MET   2  18.131  24.130   2.126
   12    HG2  MET   2           HG3      MET   2  17.928  23.857  -0.349
   13    HG3  MET   2           HG2      MET   2  18.000  25.624  -0.514
   14    HE1  MET   2           HE1      MET   2  19.963  23.937  -2.199
   15    HE2  MET   2           HE2      MET   2  20.052  25.711  -2.084
   16    HE3  MET   2           HE3      MET   2  21.519  24.732  -1.867
   17    H    GLU   3           H        GLU   3  15.084  24.327  -0.664
   18    HA   GLU   3           HA       GLU   3  13.977  21.824   0.317
   19    HB2  GLU   3           HB3      GLU   3  12.822  23.227  -1.393
   20    HB3  GLU   3           HB2      GLU   3  14.084  22.784  -2.547
   21    HG2  GLU   3           HG3      GLU   3  13.519  20.369  -2.156
   22    HG3  GLU   3           HG2      GLU   3  12.269  20.869  -1.037
   23    H    LYS   4           H        LYS   4  14.705  19.837  -0.016
   24    HA   LYS   4           HA       LYS   4  17.039  19.390  -1.791
   25    HB2  LYS   4           HB3      LYS   4  16.695  18.037   0.899
   26    HB3  LYS   4           HB2      LYS   4  17.997  17.802  -0.271
   27    HG2  LYS   4           HG3      LYS   4  18.589  20.259   0.026
   28    HG3  LYS   4           HG2      LYS   4  17.406  20.315   1.330
   29    HD2  LYS   4           HD3      LYS   4  19.451  20.024   2.400
   30    HD3  LYS   4           HD2      LYS   4  18.691  18.419   2.446
   31    HE2  LYS   4           HE3      LYS   4  20.035  17.761   0.451
   32    HE3  LYS   4           HE2      LYS   4  20.770  19.354   0.423
   33    HZ1  LYS   4           HZ1      LYS   4  21.683  18.903   2.613
   34    HZ2  LYS   4           HZ2      LYS   4  21.026  17.403   2.617
   35    HZ3  LYS   4           HZ3      LYS   4  22.192  17.793   1.537
   36    H    VAL   5           H        VAL   5  13.910  18.451  -0.814
   37    HA   VAL   5           HA       VAL   5  13.707  16.516  -2.923
   38    HB   VAL   5           HB       VAL   5  12.562  14.859  -1.464
   39   HG11  VAL   5          HG11      VAL   5  14.826  14.479  -2.412
   40   HG12  VAL   5          HG12      VAL   5  15.530  15.052  -0.887
   41   HG13  VAL   5          HG13      VAL   5  14.522  13.599  -0.910
   42   HG21  VAL   5          HG21      VAL   5  14.084  16.178   0.816
   43   HG22  VAL   5          HG22      VAL   5  12.319  16.132   0.635
   44   HG23  VAL   5          HG23      VAL   5  13.218  14.639   0.885
   45    H    GLN   6           H        GLN   6  11.623  16.458  -3.687
   46    HA   GLN   6           HA       GLN   6  10.008  18.690  -2.895
   47    HB2  GLN   6           HB3      GLN   6   9.900  16.654  -5.132
   48    HB3  GLN   6           HB2      GLN   6   8.692  17.936  -4.942
   49    HG2  GLN   6           HG3      GLN   6  10.324  19.665  -5.082
   50    HG3  GLN   6           HG2      GLN   6  11.663  18.502  -5.136
   51   HE21  GLN   6          HE21      GLN   6  11.985  20.067  -7.010
   52   HE22  GLN   6          HE22      GLN   6  11.393  19.506  -8.592
   53    H    TYR   7           H        TYR   7   9.942  15.856  -1.377
   54    HA   TYR   7           HA       TYR   7   7.474  14.714  -1.855
   55    HB2  TYR   7           HB3      TYR   7   8.968  14.675   0.760
   56    HB3  TYR   7           HB2      TYR   7   7.886  13.447   0.155
   57    HD1  TYR   7           HD1      TYR   7   9.159  13.480  -2.765
   58    HD2  TYR   7           HD2      TYR   7  10.708  13.143   1.228
   59    HE1  TYR   7           HE1      TYR   7  11.121  12.289  -3.648
   60    HE2  TYR   7           HE2      TYR   7  12.667  11.886   0.352
   61    HH   TYR   7           HH       TYR   7  13.143  11.271  -3.127
   62    H    LEU   8           H        LEU   8   7.898  17.588  -0.099
   63    HA   LEU   8           HA       LEU   8   5.173  17.364   1.076
   64    HB2  LEU   8           HB3      LEU   8   7.597  18.808   2.191
   65    HB3  LEU   8           HB2      LEU   8   5.978  18.838   2.883
   66    HG   LEU   8           HG       LEU   8   7.729  16.371   2.651
   67   HD11  LEU   8          HD11      LEU   8   6.941  18.049   5.062
   68   HD12  LEU   8          HD12      LEU   8   7.913  16.565   5.085
   69   HD13  LEU   8          HD13      LEU   8   8.547  18.018   4.294
   70   HD21  LEU   8          HD21      LEU   8   6.056  15.335   4.165
   71   HD22  LEU   8          HD22      LEU   8   5.028  16.777   4.000
   72   HD23  LEU   8          HD23      LEU   8   5.358  15.738   2.602
   73    H    THR   9           H        THR   9   6.938  18.902  -1.293
   74    HA   THR   9           HA       THR   9   5.403  21.444  -1.098
   75    HB   THR   9           HB       THR   9   7.145  22.240  -2.732
   76    HG1  THR   9           HG1      THR   9   9.066  20.931  -2.711
   77   HG21  THR   9          HG21      THR   9   8.298  21.211  -0.104
   78   HG22  THR   9          HG22      THR   9   8.892  22.561  -1.087
   79   HG23  THR   9          HG23      THR   9   7.313  22.686  -0.275
   80    H    ARG  10           H        ARG  10   6.410  18.857  -3.342
   81    HA   ARG  10           HA       ARG  10   4.862  19.705  -5.559
   82    HB2  ARG  10           HB3      ARG  10   6.688  18.108  -5.701
   83    HB3  ARG  10           HB2      ARG  10   5.791  16.932  -4.717
   84    HG2  ARG  10           HG3      ARG  10   4.066  16.790  -6.463
   85    HG3  ARG  10           HG2      ARG  10   4.919  17.975  -7.448
   86    HD2  ARG  10           HD3      ARG  10   6.188  15.364  -6.526
   87    HD3  ARG  10           HD2      ARG  10   5.240  15.490  -7.996
   88    HE   ARG  10           HE       ARG  10   7.798  16.981  -7.478
   89   HH11  ARG  10          HH21      ARG  10   5.579  15.493  -9.799
   90   HH12  ARG  10          HH22      ARG  10   6.559  15.913 -11.184
   91   HH21  ARG  10          HH11      ARG  10   9.030  17.460  -9.190
   92   HH22  ARG  10          HH12      ARG  10   8.567  17.045 -10.844
   93    H    SER  11           H        SER  11   2.841  19.583  -6.059
   94    HA   SER  11           HA       SER  11   0.604  19.474  -5.809
   95    HB2  SER  11           HB3      SER  11   1.283  16.602  -5.212
   96    HB3  SER  11           HB2      SER  11  -0.258  17.195  -5.847
   97    HG   SER  11           HG       SER  11   1.685  16.445  -7.235
   98    H    ALA  12           H        ALA  12   1.913  20.157  -3.185
   99    HA   ALA  12           HA       ALA  12   1.036  18.771  -1.076
  100    HB1  ALA  12           HB1      ALA  12   1.309  21.792  -1.271
  101    HB2  ALA  12           HB2      ALA  12   1.356  20.841   0.226
  102    HB3  ALA  12           HB3      ALA  12   2.612  20.625  -1.004
  103    H    ILE  13           H        ILE  13  -0.934  21.276  -2.623
  104    HA   ILE  13           HA       ILE  13  -3.208  20.536  -0.909
  105    HB   ILE  13           HB       ILE  13  -2.304  22.863  -1.036
  106   HG12  ILE  13          HG13      ILE  13  -5.261  22.634  -1.653
  107   HG13  ILE  13          HG12      ILE  13  -4.513  22.180  -0.115
  108   HG21  ILE  13          HG21      ILE  13  -2.020  22.941  -3.522
  109   HG22  ILE  13          HG22      ILE  13  -3.792  23.029  -3.673
  110   HG23  ILE  13          HG23      ILE  13  -2.903  24.309  -2.847
  111   HD11  ILE  13          HD11      ILE  13  -4.530  24.956  -1.351
  112   HD12  ILE  13          HD12      ILE  13  -5.419  24.398   0.066
  113   HD13  ILE  13          HD13      ILE  13  -3.658  24.508   0.132
  114    H    ARG  14           H        ARG  14  -2.204  19.079  -3.387
  115    HA   ARG  14           HA       ARG  14  -4.854  18.862  -4.740
  116    HB2  ARG  14           HB3      ARG  14  -2.089  18.962  -5.974
  117    HB3  ARG  14           HB2      ARG  14  -3.485  18.265  -6.796
  118    HG2  ARG  14           HG3      ARG  14  -4.712  20.395  -6.609
  119    HG3  ARG  14           HG2      ARG  14  -3.297  21.143  -5.843
  120    HD2  ARG  14           HD3      ARG  14  -1.950  20.691  -7.829
  121    HD3  ARG  14           HD2      ARG  14  -3.264  19.829  -8.597
  122    HE   ARG  14           HE       ARG  14  -3.000  22.743  -8.221
  123   HH11  ARG  14          HH21      ARG  14  -5.122  20.140  -9.404
  124   HH12  ARG  14          HH22      ARG  14  -6.054  21.231 -10.396
  125   HH21  ARG  14          HH11      ARG  14  -4.263  24.100  -9.543
  126   HH22  ARG  14          HH12      ARG  14  -5.577  23.422 -10.467
  127    H    ARG  15           H        ARG  15  -1.996  17.092  -3.649
  128    HA   ARG  15           HA       ARG  15  -2.712  14.668  -4.901
  129    HB2  ARG  15           HB3      ARG  15  -0.920  13.709  -3.647
  130    HB3  ARG  15           HB2      ARG  15  -0.435  15.305  -4.193
  131    HG2  ARG  15           HG3      ARG  15  -0.907  16.221  -1.935
  132    HG3  ARG  15           HG2      ARG  15  -1.460  14.630  -1.408
  133    HD2  ARG  15           HD3      ARG  15   0.824  13.718  -1.855
  134    HD3  ARG  15           HD2      ARG  15   1.348  15.326  -2.345
  135    HE   ARG  15           HE       ARG  15   1.570  15.915  -0.159
  136   HH11  ARG  15          HH21      ARG  15  -0.552  13.030  -0.130
  137   HH12  ARG  15          HH22      ARG  15  -1.111  13.317   1.477
  138   HH21  ARG  15          HH11      ARG  15   0.981  16.106   2.037
  139   HH22  ARG  15          HH12      ARG  15  -0.040  14.865   2.764
  140    H    ALA  16           H        ALA  16  -4.089  15.982  -2.073
  141    HA   ALA  16           HA       ALA  16  -5.197  15.130  -0.297
  142    HB1  ALA  16           HB1      ALA  16  -6.432  13.485  -2.523
  143    HB2  ALA  16           HB2      ALA  16  -7.166  13.835  -0.930
  144    HB3  ALA  16           HB3      ALA  16  -6.851  15.145  -2.072
  145    H    SER  17           H        SER  17  -5.953  11.986  -1.051
  146    HA   SER  17           HA       SER  17  -4.273  10.989   1.057
  147    HB2  SER  17           HB3      SER  17  -6.241   9.514  -0.709
  148    HB3  SER  17           HB2      SER  17  -5.574   8.976   0.849
  149    HG   SER  17           HG       SER  17  -7.572   9.926   1.195
  150    H    THR  18           H        THR  18  -3.310  11.487  -2.029
  151    HA   THR  18           HA       THR  18  -1.747   8.973  -2.206
  152    HB   THR  18           HB       THR  18  -1.203   9.543  -4.432
  153    HG1  THR  18           HG1      THR  18  -2.680  11.927  -4.063
  154   HG21  THR  18          HG21      THR  18  -4.169  10.122  -4.108
  155   HG22  THR  18          HG22      THR  18  -3.336   9.515  -5.554
  156   HG23  THR  18          HG23      THR  18  -3.438   8.502  -4.096
  157    H    ILE  19           H        ILE  19   0.585   9.288  -2.934
  158    HA   ILE  19           HA       ILE  19   1.817  11.557  -1.521
  159    HB   ILE  19           HB       ILE  19   3.568  10.028  -0.695
  160   HG12  ILE  19          HG13      ILE  19   1.539   7.811  -1.168
  161   HG13  ILE  19          HG12      ILE  19   3.000   8.060  -2.132
  162   HG21  ILE  19          HG21      ILE  19   0.798   9.592   0.465
  163   HG22  ILE  19          HG22      ILE  19   2.355   9.522   1.322
  164   HG23  ILE  19          HG23      ILE  19   1.774  11.057   0.682
  165   HD11  ILE  19          HD11      ILE  19   3.422   6.342  -0.518
  166   HD12  ILE  19          HD12      ILE  19   4.383   7.766  -0.086
  167   HD13  ILE  19          HD13      ILE  19   2.908   7.371   0.833
  168    H    GLU  20           H        GLU  20   3.605  12.385  -2.256
  169    HA   GLU  20           HA       GLU  20   4.374  11.724  -5.027
  170    HB2  GLU  20           HB3      GLU  20   4.497  14.169  -3.262
  171    HB3  GLU  20           HB2      GLU  20   5.291  14.111  -4.821
  172    HG2  GLU  20           HG3      GLU  20   2.335  13.459  -4.601
  173    HG3  GLU  20           HG2      GLU  20   2.885  15.115  -4.524
  174    H    MET  21           H        MET  21   5.584   9.835  -3.974
  175    HA   MET  21           HA       MET  21   8.283  10.655  -3.113
  176    HB2  MET  21           HB3      MET  21   6.468   8.768  -1.561
  177    HB3  MET  21           HB2      MET  21   8.161   9.113  -1.198
  178    HG2  MET  21           HG3      MET  21   7.510  11.546  -0.932
  179    HG3  MET  21           HG2      MET  21   5.820  11.016  -1.008
  180    HE1  MET  21           HE1      MET  21   5.712  11.594   2.732
  181    HE2  MET  21           HE2      MET  21   6.191  12.634   1.378
  182    HE3  MET  21           HE3      MET  21   4.796  11.552   1.212
  183    HA   PRO  22           HA       PRO  22   9.362   6.796  -5.164
  184    HB2  PRO  22           HB2      PRO  22  11.881   6.374  -4.258
  185    HB3  PRO  22           HB3      PRO  22  11.482   7.746  -5.332
  186    HG2  PRO  22           HG2      PRO  22  11.677   7.770  -2.302
  187    HG3  PRO  22           HG3      PRO  22  12.501   8.862  -3.463
  188    HD2  PRO  22           HD2      PRO  22  10.161   9.554  -2.273
  189    HD3  PRO  22           HD3      PRO  22  10.496   9.988  -3.978
  190    H    GLN  23           H        GLN  23   8.309   7.014  -2.074
  191    HA   GLN  23           HA       GLN  23   8.887   4.161  -1.434
  192    HB2  GLN  23           HB3      GLN  23   8.429   6.501   0.440
  193    HB3  GLN  23           HB2      GLN  23   8.364   4.796   0.916
  194    HG2  GLN  23           HG3      GLN  23  10.682   4.483   0.066
  195    HG3  GLN  23           HG2      GLN  23  10.778   6.218  -0.250
  196   HE21  GLN  23          HE21      GLN  23  12.636   4.917   1.441
  197   HE22  GLN  23          HE22      GLN  23  12.325   5.456   3.087
  198    H    GLN  24           H        GLN  24   7.239   2.952  -1.854
  199    HA   GLN  24           HA       GLN  24   4.772   3.809  -2.755
  200    HB2  GLN  24           HB3      GLN  24   5.650   1.147  -1.575
  201    HB3  GLN  24           HB2      GLN  24   4.151   1.377  -2.472
  202    HG2  GLN  24           HG3      GLN  24   6.925   1.882  -3.630
  203    HG3  GLN  24           HG2      GLN  24   6.023   0.378  -3.780
  204   HE21  GLN  24          HE21      GLN  24   6.671   1.291  -6.183
  205   HE22  GLN  24          HE22      GLN  24   5.286   2.126  -6.900
  206    H    ALA  25           H        ALA  25   5.650   3.146   0.598
  207    HA   ALA  25           HA       ALA  25   2.962   4.037   1.389
  208    HB1  ALA  25           HB1      ALA  25   2.774   2.253   3.064
  209    HB2  ALA  25           HB2      ALA  25   2.818   1.608   1.419
  210    HB3  ALA  25           HB3      ALA  25   4.267   1.502   2.440
  211    H    ARG  26           H        ARG  26   2.841   5.119   3.202
  212    HA   ARG  26           HA       ARG  26   5.185   5.521   4.967
  213    HB2  ARG  26           HB3      ARG  26   3.583   7.676   3.544
  214    HB3  ARG  26           HB2      ARG  26   4.612   8.009   4.920
  215    HG2  ARG  26           HG3      ARG  26   5.532   6.957   2.230
  216    HG3  ARG  26           HG2      ARG  26   5.709   8.575   2.863
  217    HD2  ARG  26           HD3      ARG  26   7.090   6.084   3.879
  218    HD3  ARG  26           HD2      ARG  26   7.809   7.430   3.009
  219    HE   ARG  26           HE       ARG  26   6.513   8.266   5.458
  220   HH11  ARG  26          HH21      ARG  26   9.565   6.873   4.257
  221   HH12  ARG  26          HH22      ARG  26  10.457   7.327   5.677
  222   HH21  ARG  26          HH11      ARG  26   7.743   8.893   7.260
  223   HH22  ARG  26          HH12      ARG  26   9.451   8.494   7.332
  224    H    GLN  27           H        GLN  27   1.819   4.989   4.749
  225    HA   GLN  27           HA       GLN  27   1.549   5.619   7.639
  226    HB2  GLN  27           HB3      GLN  27  -0.452   6.146   5.429
  227    HB3  GLN  27           HB2      GLN  27  -0.810   6.206   7.152
  228    HG2  GLN  27           HG3      GLN  27   0.950   7.961   7.417
  229    HG3  GLN  27           HG2      GLN  27   1.131   8.001   5.663
  230   HE21  GLN  27          HE21      GLN  27   0.372  10.340   7.134
  231   HE22  GLN  27          HE22      GLN  27  -1.332  10.647   6.721
  232    H    ASN  28           H        ASN  28   0.285   4.233   8.860
  233    HA   ASN  28           HA       ASN  28   0.732   1.628   7.974
  234    HB2  ASN  28           HB3      ASN  28   0.744   2.679  10.379
  235    HB3  ASN  28           HB2      ASN  28  -0.953   2.169  10.414
  236   HD21  ASN  28          HD21      ASN  28  -0.558   0.555  12.083
  237   HD22  ASN  28          HD22      ASN  28   0.431  -0.862  11.705
  238    H    LEU  29           H        LEU  29  -2.256   3.400   7.568
  239    HA   LEU  29           HA       LEU  29  -3.869   1.031   7.229
  240    HB2  LEU  29           HB3      LEU  29  -4.156   3.865   6.206
  241    HB3  LEU  29           HB2      LEU  29  -5.297   2.575   5.828
  242    HG   LEU  29           HG       LEU  29  -4.706   3.652   8.595
  243   HD11  LEU  29          HD11      LEU  29  -7.189   3.781   6.830
  244   HD12  LEU  29          HD12      LEU  29  -7.033   4.450   8.462
  245   HD13  LEU  29          HD13      LEU  29  -6.064   5.125   7.132
  246   HD21  LEU  29          HD21      LEU  29  -5.266   1.296   8.852
  247   HD22  LEU  29          HD22      LEU  29  -6.687   2.243   9.266
  248   HD23  LEU  29          HD23      LEU  29  -6.605   1.444   7.684
  249    H    GLN  30           H        GLN  30  -1.592   2.685   5.079
  250    HA   GLN  30           HA       GLN  30  -2.390   1.245   2.712
  251    HB2  GLN  30           HB3      GLN  30   0.362   2.288   3.473
  252    HB3  GLN  30           HB2      GLN  30  -0.191   1.853   1.867
  253    HG2  GLN  30           HG3      GLN  30  -1.743   3.756   1.858
  254    HG3  GLN  30           HG2      GLN  30  -1.264   4.184   3.505
  255   HE21  GLN  30          HE21      GLN  30  -0.175   4.108   0.100
  256   HE22  GLN  30          HE22      GLN  30   1.308   4.993   0.377
  257    H    ASN  31           H        ASN  31  -0.014   0.717   5.266
  258    HA   ASN  31           HA       ASN  31   1.162  -1.678   4.302
  259    HB2  ASN  31           HB3      ASN  31   2.070  -0.010   5.953
  260    HB3  ASN  31           HB2      ASN  31   0.869  -0.577   7.123
  261   HD21  ASN  31          HD21      ASN  31   2.302  -1.350   8.672
  262   HD22  ASN  31          HD22      ASN  31   3.394  -2.699   8.323
  263    H    LEU  32           H        LEU  32  -1.486  -1.172   6.685
  264    HA   LEU  32           HA       LEU  32  -1.855  -4.015   7.061
  265    HB2  LEU  32           HB3      LEU  32  -3.510  -1.613   7.860
  266    HB3  LEU  32           HB2      LEU  32  -3.860  -3.263   8.333
  267    HG   LEU  32           HG       LEU  32  -1.284  -1.811   9.018
  268   HD11  LEU  32          HD11      LEU  32  -3.218  -0.790  10.125
  269   HD12  LEU  32          HD12      LEU  32  -3.736  -2.388  10.718
  270   HD13  LEU  32          HD13      LEU  32  -2.212  -1.676  11.285
  271   HD21  LEU  32          HD21      LEU  32  -0.997  -3.633  10.676
  272   HD22  LEU  32          HD22      LEU  32  -2.410  -4.461   9.987
  273   HD23  LEU  32          HD23      LEU  32  -0.937  -4.223   9.016
  274    H    PHE  33           H        PHE  33  -3.373  -1.664   4.840
  275    HA   PHE  33           HA       PHE  33  -5.440  -3.458   4.025
  276    HB2  PHE  33           HB3      PHE  33  -5.451  -1.056   3.549
  277    HB3  PHE  33           HB2      PHE  33  -4.072  -1.240   2.471
  278    HD1  PHE  33           HD2      PHE  33  -7.671  -1.929   2.960
  279    HD2  PHE  33           HD1      PHE  33  -4.344  -2.284   0.256
  280    HE1  PHE  33           HE2      PHE  33  -9.223  -2.503   1.125
  281    HE2  PHE  33           HE1      PHE  33  -5.903  -2.869  -1.573
  282    HZ   PHE  33           HZ       PHE  33  -8.344  -2.990  -1.139
  283    H    ILE  34           H        ILE  34  -2.108  -2.975   2.684
  284    HA   ILE  34           HA       ILE  34  -2.514  -5.078   0.791
  285    HB   ILE  34           HB       ILE  34  -0.868  -3.337   0.449
  286   HG12  ILE  34          HG13      ILE  34   0.965  -4.674  -0.417
  287   HG13  ILE  34          HG12      ILE  34   0.414  -6.091   0.482
  288   HG21  ILE  34          HG21      ILE  34   0.804  -4.702   2.596
  289   HG22  ILE  34          HG22      ILE  34   1.330  -3.400   1.518
  290   HG23  ILE  34          HG23      ILE  34   0.061  -3.088   2.686
  291   HD11  ILE  34          HD11      ILE  34  -1.210  -4.668  -1.671
  292   HD12  ILE  34          HD12      ILE  34  -0.189  -6.096  -1.937
  293   HD13  ILE  34          HD13      ILE  34  -1.601  -6.226  -0.886
  294    H    ASN  35           H        ASN  35  -1.391  -5.110   4.150
  295    HA   ASN  35           HA       ASN  35  -0.628  -7.839   4.232
  296    HB2  ASN  35           HB3      ASN  35  -0.267  -6.005   5.971
  297    HB3  ASN  35           HB2      ASN  35  -1.947  -6.257   6.461
  298   HD21  ASN  35          HD21      ASN  35   1.279  -7.805   6.208
  299   HD22  ASN  35          HD22      ASN  35   0.887  -9.039   7.432
  300    H    PHE  36           H        PHE  36  -3.867  -6.366   4.835
  301    HA   PHE  36           HA       PHE  36  -5.226  -8.840   5.199
  302    HB2  PHE  36           HB3      PHE  36  -6.044  -6.032   4.443
  303    HB3  PHE  36           HB2      PHE  36  -7.188  -7.341   4.379
  304    HD1  PHE  36           HD1      PHE  36  -4.660  -7.376   7.115
  305    HD2  PHE  36           HD2      PHE  36  -8.635  -6.255   5.903
  306    HE1  PHE  36           HE1      PHE  36  -5.301  -7.118   9.460
  307    HE2  PHE  36           HE2      PHE  36  -9.272  -5.994   8.280
  308    HZ   PHE  36           HZ       PHE  36  -7.607  -6.427  10.070
  309    H    ALA  37           H        ALA  37  -4.597  -6.949   2.203
  310    HA   ALA  37           HA       ALA  37  -6.118  -8.656   0.515
  311    HB1  ALA  37           HB1      ALA  37  -3.709  -6.914  -0.112
  312    HB2  ALA  37           HB2      ALA  37  -4.877  -7.559  -1.289
  313    HB3  ALA  37           HB3      ALA  37  -5.410  -6.379  -0.078
  314    H    LEU  38           H        LEU  38  -2.700  -8.845   1.519
  315    HA   LEU  38           HA       LEU  38  -2.028 -11.124  -0.069
  316    HB2  LEU  38           HB3      LEU  38  -0.942  -9.949   2.500
  317    HB3  LEU  38           HB2      LEU  38  -0.256 -11.396   1.786
  318    HG   LEU  38           HG       LEU  38  -0.495  -8.798   0.228
  319   HD11  LEU  38          HD11      LEU  38   1.844  -9.826   1.887
  320   HD12  LEU  38          HD12      LEU  38   1.875  -8.424   0.803
  321   HD13  LEU  38          HD13      LEU  38   0.849  -8.395   2.249
  322   HD21  LEU  38          HD21      LEU  38   1.315  -9.786  -1.113
  323   HD22  LEU  38          HD22      LEU  38   1.267 -11.258  -0.106
  324   HD23  LEU  38          HD23      LEU  38  -0.117 -10.820  -1.133
  325    H    ILE  39           H        ILE  39  -3.340 -10.867   3.263
  326    HA   ILE  39           HA       ILE  39  -3.429 -13.670   3.743
  327    HB   ILE  39           HB       ILE  39  -5.026 -11.349   4.824
  328   HG12  ILE  39          HG13      ILE  39  -2.917 -13.044   6.208
  329   HG13  ILE  39          HG12      ILE  39  -2.488 -11.625   5.273
  330   HG21  ILE  39          HG21      ILE  39  -6.415 -13.325   5.107
  331   HG22  ILE  39          HG22      ILE  39  -5.045 -14.235   5.760
  332   HG23  ILE  39          HG23      ILE  39  -5.740 -12.872   6.664
  333   HD11  ILE  39          HD11      ILE  39  -4.258 -11.617   7.742
  334   HD12  ILE  39          HD12      ILE  39  -2.608 -11.005   7.579
  335   HD13  ILE  39          HD13      ILE  39  -3.926 -10.211   6.710
  336    H    LEU  40           H        LEU  40  -5.868 -11.490   2.283
  337    HA   LEU  40           HA       LEU  40  -7.801 -13.532   2.001
  338    HB2  LEU  40           HB3      LEU  40  -8.281 -11.145   2.101
  339    HB3  LEU  40           HB2      LEU  40  -7.465 -10.896   0.560
  340    HG   LEU  40           HG       LEU  40  -9.172 -12.191  -0.604
  341   HD11  LEU  40          HD11      LEU  40  -9.844 -13.836   1.068
  342   HD12  LEU  40          HD12      LEU  40 -10.447 -12.555   2.142
  343   HD13  LEU  40          HD13      LEU  40 -11.243 -12.898   0.590
  344   HD21  LEU  40          HD21      LEU  40 -11.051 -10.669  -0.273
  345   HD22  LEU  40          HD22      LEU  40 -10.390 -10.150   1.289
  346   HD23  LEU  40          HD23      LEU  40  -9.523  -9.778  -0.209
  347    H    ILE  41           H        ILE  41  -5.316 -12.398  -0.344
  348    HA   ILE  41           HA       ILE  41  -6.354 -14.212  -2.337
  349    HB   ILE  41           HB       ILE  41  -5.065 -12.057  -2.712
  350   HG12  ILE  41          HG13      ILE  41  -4.393 -14.549  -4.296
  351   HG13  ILE  41          HG12      ILE  41  -5.880 -13.596  -4.425
  352   HG21  ILE  41          HG21      ILE  41  -3.079 -12.685  -1.319
  353   HG22  ILE  41          HG22      ILE  41  -2.643 -13.875  -2.562
  354   HG23  ILE  41          HG23      ILE  41  -2.684 -12.142  -2.944
  355   HD11  ILE  41          HD11      ILE  41  -4.490 -11.616  -5.114
  356   HD12  ILE  41          HD12      ILE  41  -3.080 -12.697  -5.187
  357   HD13  ILE  41          HD13      ILE  41  -4.471 -12.980  -6.241
  358    H    PHE  42           H        PHE  42  -3.922 -14.542   0.216
  359    HA   PHE  42           HA       PHE  42  -2.979 -17.122  -0.608
  360    HB2  PHE  42           HB3      PHE  42  -1.814 -15.686   0.993
  361    HB3  PHE  42           HB2      PHE  42  -3.158 -15.789   2.115
  362    HD1  PHE  42           HD1      PHE  42  -0.508 -17.782   0.415
  363    HD2  PHE  42           HD2      PHE  42  -3.353 -17.616   3.635
  364    HE1  PHE  42           HE1      PHE  42   0.529 -19.792   1.444
  365    HE2  PHE  42           HE2      PHE  42  -2.309 -19.614   4.659
  366    HZ   PHE  42           HZ       PHE  42  -0.367 -20.705   3.570
  367    H    LEU  43           H        LEU  43  -5.704 -16.108   1.508
  368    HA   LEU  43           HA       LEU  43  -6.625 -18.710   2.103
  369    HB2  LEU  43           HB3      LEU  43  -7.314 -16.727   3.307
  370    HB3  LEU  43           HB2      LEU  43  -8.066 -16.057   1.862
  371    HG   LEU  43           HG       LEU  43  -9.752 -17.836   1.864
  372   HD11  LEU  43          HD11      LEU  43  -8.382 -18.782   4.420
  373   HD12  LEU  43          HD12      LEU  43  -9.981 -19.317   3.848
  374   HD13  LEU  43          HD13      LEU  43  -8.541 -19.697   2.905
  375   HD21  LEU  43          HD21      LEU  43 -10.140 -15.733   3.104
  376   HD22  LEU  43          HD22      LEU  43 -10.945 -17.103   3.871
  377   HD23  LEU  43          HD23      LEU  43  -9.441 -16.468   4.570
  378    H    LEU  44           H        LEU  44  -7.478 -16.553  -0.639
  379    HA   LEU  44           HA       LEU  44  -9.307 -18.338  -1.868
  380    HB2  LEU  44           HB3      LEU  44  -9.125 -15.957  -2.403
  381    HB3  LEU  44           HB2      LEU  44  -7.497 -16.193  -3.029
  382    HG   LEU  44           HG       LEU  44  -8.358 -17.581  -4.858
  383   HD11  LEU  44          HD11      LEU  44 -11.107 -16.914  -3.715
  384   HD12  LEU  44          HD12      LEU  44 -10.808 -17.629  -5.316
  385   HD13  LEU  44          HD13      LEU  44 -10.384 -18.536  -3.866
  386   HD21  LEU  44          HD21      LEU  44  -9.793 -14.913  -4.571
  387   HD22  LEU  44          HD22      LEU  44  -8.121 -15.154  -5.132
  388   HD23  LEU  44          HD23      LEU  44  -9.472 -15.792  -6.093
  389    H    LEU  45           H        LEU  45  -5.752 -18.041  -2.261
  390    HA   LEU  45           HA       LEU  45  -5.469 -19.979  -4.285
  391    HB2  LEU  45           HB3      LEU  45  -3.710 -18.448  -3.683
  392    HB3  LEU  45           HB2      LEU  45  -3.630 -19.095  -2.048
  393    HG   LEU  45           HG       LEU  45  -2.806 -21.253  -2.902
  394   HD11  LEU  45          HD11      LEU  45  -2.772 -19.836  -5.609
  395   HD12  LEU  45          HD12      LEU  45  -1.992 -21.395  -5.234
  396   HD13  LEU  45          HD13      LEU  45  -3.747 -21.258  -5.167
  397   HD21  LEU  45          HD21      LEU  45  -1.259 -19.495  -2.187
  398   HD22  LEU  45          HD22      LEU  45  -0.582 -20.452  -3.515
  399   HD23  LEU  45          HD23      LEU  45  -1.232 -18.832  -3.838
  400    H    ILE  46           H        ILE  46  -5.261 -20.466  -0.698
  401    HA   ILE  46           HA       ILE  46  -4.953 -23.291  -1.076
  402    HB   ILE  46           HB       ILE  46  -5.110 -23.574   1.249
  403   HG12  ILE  46          HG13      ILE  46  -5.736 -20.634   1.525
  404   HG13  ILE  46          HG12      ILE  46  -6.888 -21.945   1.767
  405   HG21  ILE  46          HG21      ILE  46  -3.407 -21.147   0.640
  406   HG22  ILE  46          HG22      ILE  46  -3.095 -22.416   1.840
  407   HG23  ILE  46          HG23      ILE  46  -3.022 -22.800   0.123
  408   HD11  ILE  46          HD11      ILE  46  -5.468 -22.838   3.610
  409   HD12  ILE  46          HD12      ILE  46  -4.417 -21.405   3.442
  410   HD13  ILE  46          HD13      ILE  46  -6.105 -21.206   3.913
  411    H    ALA  47           H        ALA  47  -7.864 -21.312  -0.758
  412    HA   ALA  47           HA       ALA  47  -9.632 -23.517  -0.327
  413    HB1  ALA  47           HB1      ALA  47 -10.283 -21.158  -0.051
  414    HB2  ALA  47           HB2      ALA  47 -10.065 -20.879  -1.801
  415    HB3  ALA  47           HB3      ALA  47 -11.332 -21.988  -1.223
  416    H    ILE  48           H        ILE  48  -8.307 -22.083  -3.329
  417    HA   ILE  48           HA       ILE  48  -9.759 -23.787  -5.089
  418    HB   ILE  48           HB       ILE  48  -7.245 -22.151  -5.395
  419   HG12  ILE  48          HG13      ILE  48 -10.005 -21.816  -6.606
  420   HG13  ILE  48          HG12      ILE  48  -9.555 -21.094  -5.072
  421   HG21  ILE  48          HG21      ILE  48  -7.466 -22.512  -7.852
  422   HG22  ILE  48          HG22      ILE  48  -7.029 -23.981  -6.991
  423   HG23  ILE  48          HG23      ILE  48  -8.704 -23.749  -7.526
  424   HD11  ILE  48          HD11      ILE  48  -9.339 -19.427  -6.753
  425   HD12  ILE  48          HD12      ILE  48  -7.705 -19.851  -6.187
  426   HD13  ILE  48          HD13      ILE  48  -8.305 -20.452  -7.751
  427    H    ILE  49           H        ILE  49  -6.398 -24.146  -3.823
  428    HA   ILE  49           HA       ILE  49  -6.235 -26.712  -5.142
  429    HB   ILE  49           HB       ILE  49  -4.002 -26.871  -4.362
  430   HG12  ILE  49          HG13      ILE  49  -4.428 -24.267  -2.887
  431   HG13  ILE  49          HG12      ILE  49  -4.332 -25.853  -2.103
  432   HG21  ILE  49          HG21      ILE  49  -4.530 -24.061  -5.368
  433   HG22  ILE  49          HG22      ILE  49  -3.087 -25.076  -5.635
  434   HG23  ILE  49          HG23      ILE  49  -4.629 -25.533  -6.364
  435   HD11  ILE  49          HD11      ILE  49  -2.020 -26.126  -2.991
  436   HD12  ILE  49          HD12      ILE  49  -2.112 -24.464  -3.645
  437   HD13  ILE  49          HD13      ILE  49  -2.220 -24.735  -1.906
  438    H    VAL  50           H        VAL  50  -8.090 -26.226  -2.731
  439    HA   VAL  50           HA       VAL  50  -7.645 -28.966  -1.684
  440    HB   VAL  50           HB       VAL  50  -8.600 -26.548  -0.145
  441   HG11  VAL  50          HG11      VAL  50  -9.915 -28.419   0.644
  442   HG12  VAL  50          HG12      VAL  50  -8.470 -29.446   0.731
  443   HG13  VAL  50          HG13      VAL  50  -8.666 -28.060   1.829
  444   HG21  VAL  50          HG21      VAL  50  -6.674 -27.016   1.303
  445   HG22  VAL  50          HG22      VAL  50  -6.208 -28.392   0.269
  446   HG23  VAL  50          HG23      VAL  50  -6.125 -26.739  -0.350
  447    H    MET  51           H        MET  51  -9.880 -26.672  -3.076
  448    HA   MET  51           HA       MET  51 -12.047 -28.666  -2.784
  449    HB2  MET  51           HB3      MET  51 -12.119 -26.609  -1.351
  450    HB3  MET  51           HB2      MET  51 -12.298 -25.661  -2.836
  451    HG2  MET  51           HG3      MET  51 -14.389 -26.784  -3.338
  452    HG3  MET  51           HG2      MET  51 -14.186 -27.852  -1.945
  453    HE1  MET  51           HE1      MET  51 -16.813 -27.008  -1.759
  454    HE2  MET  51           HE2      MET  51 -17.263 -25.320  -1.383
  455    HE3  MET  51           HE3      MET  51 -16.597 -25.736  -2.976
  456    H    LEU  52           H        LEU  52 -10.236 -27.057  -5.209
  457    HA   LEU  52           HA       LEU  52 -12.367 -27.667  -7.183
  458    HB2  LEU  52           HB3      LEU  52 -11.644 -25.289  -6.959
  459    HB3  LEU  52           HB2      LEU  52 -10.010 -25.794  -7.394
  460    HG   LEU  52           HG       LEU  52 -10.805 -26.505  -9.627
  461   HD11  LEU  52          HD11      LEU  52 -13.453 -25.278  -8.733
  462   HD12  LEU  52          HD12      LEU  52 -13.036 -25.786 -10.387
  463   HD13  LEU  52          HD13      LEU  52 -13.174 -26.999  -9.114
  464   HD21  LEU  52          HD21      LEU  52 -11.223 -24.275 -10.512
  465   HD22  LEU  52          HD22      LEU  52 -11.458 -23.652  -8.854
  466   HD23  LEU  52          HD23      LEU  52  -9.882 -24.319  -9.368
  467    H    LEU  53           H        LEU  53  -9.333 -28.756  -6.049
  468    HA   LEU  53           HA       LEU  53  -8.390 -29.547  -8.721
  469    HB2  LEU  53           HB3      LEU  53  -7.112 -27.971  -7.113
  470    HB3  LEU  53           HB2      LEU  53  -6.888 -29.404  -6.109
  471    HG   LEU  53           HG       LEU  53  -5.763 -30.511  -8.125
  472   HD11  LEU  53          HD11      LEU  53  -6.618 -28.999  -9.880
  473   HD12  LEU  53          HD12      LEU  53  -5.797 -27.618  -9.115
  474   HD13  LEU  53          HD13      LEU  53  -4.854 -28.961  -9.827
  475   HD21  LEU  53          HD21      LEU  53  -4.537 -27.977  -6.967
  476   HD22  LEU  53          HD22      LEU  53  -4.513 -29.589  -6.221
  477   HD23  LEU  53          HD23      LEU  53  -3.647 -29.317  -7.742