*HEADER    ANTIFUNGAL PROTEIN                      13-JUL-01   1JKZ              
*TITLE     NMR SOLUTION STRUCTURE OF PISUM SATIVUM DEFENSIN 1 (PSD1)             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DEFENSE-RELATED PEPTIDE 1;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PSD1                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PISUM SATIVUM;                                  
*SOURCE   3 ORGANISM_COMMON: PEA;                                                
*SOURCE   4 OTHER_DETAILS: ISOLATED FROM PEA SEEDS                               
*KEYWDS    NMR, PLANT DEFENSIN, CYS-RICH, ANTIFUNGAL                             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.S.ALMEIDA, K.M.S.CABRAL, E.KURTENBACH, F.C.L.ALMEIDA,               
*AUTHOR   2 A.P.VALENTE                                                          
*REVDAT   1   06-FEB-02 1JKZ    0                                                
assign (resid 1 and name HA ) ( resid 1 and name HG+ ) 3.55 1.75 1.45
assign (resid 1 and name HA ) ( resid 1 and name HB+ ) 3.48 1.68 1.52
assign (resid 1 and name HA ) ( resid 1 and name HD+ ) 3.47 1.67 2.53
assign (resid 1 and name HG+ ) ( resid 1 and name HD+ ) 2.45 0.65 1.45

assign (resid 2 and name HA ) ( resid 2 and name HB ) 3.49 1.69 1.51
assign (resid 2 and name HA ) ( resid 2 and name HG21 ) 4.24 2.44 1.76
assign (resid 2 and name HA ) ( resid 45 and name HA ) 2.95 1.15 0.55
assign (resid 2 and name HB ) ( resid 2 and name HG21 ) 2.74 0.94 0.16
assign (resid 2 and name HG21 ) ( resid 45 and name HA ) 3.46 1.66 2.54
assign (resid 2 and name HN ) ( resid 1 and name HG+ ) 3.41 1.61 2.59
assign (resid 2 and name HN ) ( resid 1 and name HB+ ) 3.28 1.48 1.22
assign (resid 2 and name HN ) ( resid 1 and name HA ) 2.53 0.73 0.37
assign (resid 2 and name HN ) ( resid 2 and name HA ) 3.68 1.88 1.32
assign (resid 2 and name HN ) ( resid 2 and name HG21 ) 3.85 2.05 2.15
assign (resid 2 and name HN ) ( resid 2 and name HB ) 4.04 2.24 0.96

assign (resid 3 and name HB+ ) ( resid 3 and name HA ) 3.44 1.64 1.56
assign (resid 3 and name HN ) ( resid 2 and name HB ) 2.83 1.03 0.67
assign (resid 3 and name HN ) ( resid 2 and name HG21 ) 3.57 1.77 2.43
assign (resid 3 and name HN ) ( resid 2 and name HA ) 2.62 0.82 0.28
assign (resid 3 and name HN ) ( resid 3 and name HA ) 3.27 1.47 0.23
assign (resid 3 and name HN ) ( resid 3 and name HB+ ) 3.21 1.41 0.89
assign (resid 3 and name HN ) ( resid 44 and name HB+ ) 4.53 2.73 1.47
assign (resid 3 and name HN ) ( resid 46 and name HB1 ) 4.09 2.29 0.91
assign (resid 3 and name HN ) ( resid 46 and name HB2 ) 4.26 2.46 0.74

assign (resid 4 and name HA ) ( resid 4 and name HG+ ) 3.74 1.94 2.26
assign (resid 4 and name HA ) ( resid 4 and name HB+ ) 3.41 1.61 2.59
assign (resid 4 and name HA ) ( resid 43 and name HA ) 2.99 1.19 0.51
assign (resid 4 and name HB+ ) ( resid 4 and name HG+ ) 2.74 0.94 0.76
assign (resid 4 and name HG+ ) ( resid 41 and name HB1 ) 3.95 2.15 2.05
assign (resid 4 and name HN ) ( resid 3 and name HB+ ) 3.19 1.39 1.31
assign (resid 4 and name HN ) ( resid 3 and name HA ) 2.66 0.86 0.24
assign (resid 4 and name HN ) ( resid 4 and name HA ) 3.61 1.81 1.39
assign (resid 4 and name HN ) ( resid 4 and name HB+ ) 2.86 1.06 1.64
assign (resid 4 and name HN ) ( resid 4 and name HG+ ) 3.5 1.7 2.5

assign (resid 5 and name HB1 ) ( resid 5 and name HA ) 3.17 1.37 0.33
assign (resid 5 and name HB2 ) ( resid 5 and name HA ) 3.42 1.62 1.58
assign (resid 5 and name HD2 ) ( resid 5 and name HB1 ) 3.47 1.67 1.53
assign (resid 5 and name HD2 ) ( resid 5 and name HB2 ) 3.45 1.65 1.55
assign (resid 5 and name HD2 ) ( resid 44 and name HB1 ) 3.47 1.67 1.53
assign (resid 5 and name HN ) ( resid 4 and name HG+ ) 3.81 2.01 2.19
assign (resid 5 and name HN ) ( resid 4 and name HA ) 2.67 0.87 0.23
assign (resid 5 and name HN ) ( resid 4 and name HB+ ) 3.38 1.58 1.12
assign (resid 5 and name HN ) ( resid 4 and name HN ) 4.53 2.73 0.47
assign (resid 5 and name HN ) ( resid 5 and name HB1 ) 3.6 1.8 1.4
assign (resid 5 and name HN ) ( resid 5 and name HB2 ) 3.46 1.66 1.54
assign (resid 5 and name HN ) ( resid 5 and name HA ) 3.14 1.34 0.36
assign (resid 5 and name HN ) ( resid 41 and name HB1 ) 2.89 2.09 1.21
assign (resid 5 and name HN ) ( resid 41 and name HD+ ) 4.07 2.27 2.93
assign (resid 5 and name HN ) ( resid 42 and name HN ) 3.44 1.64 1.56

assign (resid 6 and name HA ) ( resid 6 and name HD21 ) 3.47 1.67 1.53
assign (resid 6 and name HA ) ( resid 6 and name HD11 ) 4.24 2.44 1.76
assign (resid 6 and name HA ) ( resid 6 and name HB1 ) 3.26 1.46 0.24
assign (resid 6 and name HA ) ( resid 41 and name HA ) 3.02 1.22 0.48
assign (resid 6 and name HB1 ) ( resid 6 and name HD11 ) 3.48 1.68 1.52
assign (resid 6 and name HB1 ) ( resid 6 and name HD21 ) 4.21 2.41 0.79
assign (resid 6 and name HB1 ) ( resid 6 and name HB2 ) 2.46 0.66 0.44
assign (resid 6 and name HB2 ) ( resid 6 and name HD21 ) 3.77 1.97 1.23
assign (resid 6 and name HB2 ) ( resid 6 and name HA ) 3.27 1.47 0.23
assign (resid 6 and name HB2 ) ( resid 6 and name HD11 ) 3.59 1.79 1.41
assign (resid 6 and name HD11 ) ( resid 8 and name HA ) 5.09 3.29 1
assign (resid 6 and name HD21 ) ( resid 6 and name HD11 ) 2.61 0.81 0.39
assign (resid 6 and name HD21 ) ( resid 39 and name HA ) 4.43 2.63 1.57
assign (resid 6 and name HD21 ) ( resid 41 and name HD+ ) 4.81 3.01 3.19
assign (resid 6 and name HG ) ( resid 6 and name HD11 ) 3.24 1.44 0.26
assign (resid 6 and name HG ) ( resid 6 and name HB1 ) 3 1.2 0.5
assign (resid 6 and name HG ) ( resid 6 and name HA ) 3.88 2.08 1.12
assign (resid 6 and name HG ) ( resid 6 and name HD21 ) 3.79 1.99 1.21
assign (resid 6 and name HN ) ( resid 5 and name HA ) 2.4 0.6 0.5
assign (resid 6 and name HN ) ( resid 6 and name HA ) 2.77 0.97 0.23
assign (resid 6 and name HN ) ( resid 6 and name HB1 ) 2.74 0.94 0.16
assign (resid 6 and name HN ) ( resid 6 and name HD11 ) 4.61 2.81 1.39
assign (resid 6 and name HN ) ( resid 6 and name HG ) 4.04 2.24 0.96
assign (resid 6 and name HN ) ( resid 6 and name HD21 ) 4.5 2.7 1.5
assign (resid 6 and name HN ) ( resid 6 and name HB2 ) 2.73 0.93 0.17
assign (resid 6 and name HN ) ( resid 41 and name HD+ ) 3.63 1.83 1.37

assign (resid 7 and name HB1 ) ( resid 6 and name HA ) 4.24 2.44 1.76
assign (resid 7 and name HB1 ) ( resid 6 and name HD21 ) 4.71 2.91 2.29
assign (resid 7 and name HB1 ) ( resid 7 and name HA ) 2.89 1.09 0.61
assign (resid 7 and name HB1 ) ( resid 10 and name HD+ ) 3.48 1.68 4.52
assign (resid 7 and name HN ) ( resid 6 and name HD21 ) 3.68 1.88 2.32
assign (resid 7 and name HN ) ( resid 6 and name HA ) 2.46 0.66 0.44
assign (resid 7 and name HN ) ( resid 6 and name HD11 ) 4.46 2.66 1.54
assign (resid 7 and name HN ) ( resid 6 and name HG ) 3.43 1.63 1.57
assign (resid 7 and name HN ) ( resid 7 and name HA ) 3.22 1.42 0.28
assign (resid 7 and name HN ) ( resid 7 and name HB1 ) 3.17 1.37 0.93
assign (resid 7 and name HN ) ( resid 41 and name HA ) 3.01 1.21 0.49

assign (resid 8 and name HA ) ( resid 8 and name HB+ ) 3.53 1.73 1.47
assign (resid 8 and name HN ) ( resid 7 and name HA ) 2.48 0.68 0.42
assign (resid 8 and name HN ) ( resid 8 and name HA ) 3.08 1.28 0.42
assign (resid 8 and name HN ) ( resid 8 and name HB+ ) 3.04 1.24 1.46
assign (resid 8 and name HN ) ( resid 9 and name HN ) 3.37 1.57 0.13

assign (resid 9 and name HG21 ) ( resid 8 and name HB+ ) 4.07 2.27 2.93
assign (resid 9 and name HG21 ) ( resid 9 and name HA ) 3.12 1.32 1.28
assign (resid 9 and name HG21 ) ( resid 9 and name HB ) 2.91 1.11 0.59
assign (resid 9 and name HN ) ( resid 7 and name HB1 ) 4.61 2.81 0.99
assign (resid 9 and name HN ) ( resid 8 and name HB+ ) 3.99 2.19 2.01
assign (resid 9 and name HN ) ( resid 9 and name HA ) 3.6 1.8 1.4
assign (resid 9 and name HN ) ( resid 9 and name HG21 ) 3.63 1.83 2.37
assign (resid 9 and name HN ) ( resid 10 and name HN ) 3.18 1.38 0.32

assign (resid 10 and name HA ) ( resid 10 and name HD+ ) 3.47 1.67 2.53
assign (resid 10 and name HB1 ) ( resid 7 and name HB1 ) 3.6 1.8 2.4
assign (resid 10 and name HB1 ) ( resid 10 and name HA ) 3.63 1.83 1.37
assign (resid 10 and name HB1 ) ( resid 10 and name HB2 ) 2.37 0.57 0.43
assign (resid 10 and name HB2 ) ( resid 10 and name HA ) 3.28 1.48 0.22
assign (resid 10 and name HD+ ) ( resid 10 and name HB1 ) 2.89 1.09 0.91
assign (resid 10 and name HD+ ) ( resid 10 and name HE+ ) 2.38 0.58 0.42
assign (resid 10 and name HD+ ) ( resid 10 and name HB2 ) 2.89 1.09 2.61
assign (resid 10 and name HD+ ) ( resid 20 and name HA ) 3.52 1.72 3.48
assign (resid 10 and name HD+ ) ( resid 23 and name HB2 ) 3.4 1.6 3.6
assign (resid 10 and name HD+ ) ( resid 23 and name HB1 ) 3.41 1.61 3.59
assign (resid 10 and name HD+ ) ( resid 40 and name HB1 ) 3.5 1.7 3.5
assign (resid 10 and name HE+ ) ( resid 10 and name HB2 ) 4.04 2.24 2.96
assign (resid 10 and name HE+ ) ( resid 10 and name HB1 ) 3.75 1.95 3.25
assign (resid 10 and name HE+ ) ( resid 14 and name HB2 ) 3.46 1.66 3.54
assign (resid 10 and name HE+ ) ( resid 20 and name HB1 ) 4.01 2.21 2.99
assign (resid 10 and name HE+ ) ( resid 20 and name HA ) 3.24 1.44 2.26
assign (resid 10 and name HE+ ) ( resid 23 and name HB1 ) 3.89 2.09 3.11
assign (resid 10 and name HE+ ) ( resid 23 and name HB2 ) 3.68 1.88 3.32
assign (resid 10 and name HE+ ) ( resid 40 and name HB2 ) 3.81 2.01 3.19
assign (resid 10 and name HN ) ( resid 7 and name HB1 ) 3.85 2.05 2.15
assign (resid 10 and name HN ) ( resid 9 and name HA ) 2.99 1.19 0.51
assign (resid 10 and name HN ) ( resid 10 and name HB2 ) 3.03 1.23 0.47
assign (resid 10 and name HN ) ( resid 10 and name HB1 ) 2.9 1.1 0.6
assign (resid 10 and name HN ) ( resid 10 and name HA ) 3.43 1.63 1.57

assign (resid 11 and name HB+ ) ( resid 11 and name HA ) 3.33 1.53 0.17
assign (resid 11 and name HD+ ) ( resid 11 and name HG1 ) 3.46 1.66 1.54
assign (resid 11 and name HD+ ) ( resid 11 and name HA ) 3.74 1.94 1.26
assign (resid 11 and name HD+ ) ( resid 11 and name HB+ ) 3.96 2.16 1.04
assign (resid 11 and name HD+ ) ( resid 11 and name HG2 ) 3.19 1.39 0.31
assign (resid 11 and name HE ) ( resid 11 and name HB+ ) 3.91 2.11 2.09
assign (resid 11 and name HE ) ( resid 11 and name HA ) 4.4 2.6 0.6
assign (resid 11 and name HG1 ) ( resid 11 and name HA ) 3.44 1.64 1.56
assign (resid 11 and name HG2 ) ( resid 11 and name HA ) 3.25 1.45 0.25
assign (resid 11 and name HN ) ( resid 10 and name HB1 ) 4.09 2.29 0.91
assign (resid 11 and name HN ) ( resid 10 and name HD+ ) 3.79 1.99 2.21
assign (resid 11 and name HN ) ( resid 10 and name HA ) 2.68 0.88 0.42
assign (resid 11 and name HN ) ( resid 11 and name HG1 ) 3.04 1.24 0.46
assign (resid 11 and name HN ) ( resid 11 and name HD+ ) 4.87 3.07 1.53
assign (resid 11 and name HN ) ( resid 11 and name HB+ ) 3.49 1.69 1.51
assign (resid 11 and name HN ) ( resid 11 and name HA ) 3.52 1.72 1.48
assign (resid 11 and name HN ) ( resid 11 and name HG2 ) 3.71 1.91 1.29

assign (resid 12 and name HA2 ) ( resid 12 and name HA1 ) 2.58 0.78 0.32
assign (resid 12 and name HN ) ( resid 10 and name HD+ ) 4.26 2.46 2.74
assign (resid 12 and name HN ) ( resid 11 and name HB+ ) 3.89 2.09 2.11
assign (resid 12 and name HN ) ( resid 11 and name HA ) 2.66 0.86 0.24
assign (resid 12 and name HN ) ( resid 11 and name HG+ ) 4.53 2.73 1.47
assign (resid 12 and name HN ) ( resid 12 and name HA1 ) 2.81 1.01 0.69
assign (resid 12 and name HN ) ( resid 12 and name HA2 ) 3.18 1.38 0.32

assign (resid 13 and name HA ) ( resid 13 and name HG11 ) 3.56 1.76 1.44
assign (resid 13 and name HB ) ( resid 13 and name HG11 ) 3.43 1.63 1.57
assign (resid 13 and name HB ) ( resid 13 and name HA ) 3.62 1.82 1.38
assign (resid 13 and name HG11 ) ( resid 14 and name HA ) 4.57 2.77 1.43
assign (resid 13 and name HG11 ) ( resid 38 and name HA ) 4.46 2.66 1.54
assign (resid 13 and name HG21 ) ( resid 13 and name HA ) 3.24 1.44 0.46
assign (resid 13 and name HG21 ) ( resid 13 and name HG11 ) 2.93 1.13 0.47
assign (resid 13 and name HG21 ) ( resid 13 and name HB ) 3.02 1.22 0.48
assign (resid 13 and name HG21 ) ( resid 38 and name HB2 ) 5.09 2.29 1
assign (resid 13 and name HN ) ( resid 12 and name HA1 ) 2.96 1.16 0.54
assign (resid 13 and name HN ) ( resid 12 and name HA2 ) 2.98 1.18 0.52
assign (resid 13 and name HN ) ( resid 13 and name HB ) 2.83 1.03 0.67
assign (resid 13 and name HN ) ( resid 13 and name HA ) 3.27 1.47 0.23
assign (resid 13 and name HN ) ( resid 13 and name HG11 ) 3.74 1.94 1.26
assign (resid 13 and name HN ) ( resid 13 and name HG21 ) 3.37 1.57 1.13

assign (resid 14 and name HB1 ) ( resid 14 and name HA ) 3.15 1.35 0.35
assign (resid 14 and name HB1 ) ( resid 14 and name HB2 ) 2.46 0.66 0.44
assign (resid 14 and name HB2 ) ( resid 14 and name HA ) 3.01 1.21 0.49
assign (resid 14 and name HN ) ( resid 13 and name HG21 ) 4.19 2.39 0.81
assign (resid 14 and name HN ) ( resid 13 and name HB ) 4.21 2.41 0.79
assign (resid 14 and name HN ) ( resid 13 and name HG11 ) 2.96 1.16 0.54
assign (resid 14 and name HN ) ( resid 13 and name HA ) 2.55 0.75 0.35
assign (resid 14 and name HN ) ( resid 14 and name HA ) 3.39 1.59 0.11
assign (resid 14 and name HN ) ( resid 14 and name HB1 ) 3.08 1.28 0.42
assign (resid 14 and name HN ) ( resid 14 and name HB2 ) 3 1.2 0.5
assign (resid 14 and name HN ) ( resid 38 and name HA ) 3.74 1.94 1.26
assign (resid 14 and name HN ) ( resid 38 and name HB2 ) 3.89 2.09 1.11

assign (resid 15 and name HB1 ) ( resid 15 and name HA ) 3.08 1.28 0.42
assign (resid 15 and name HB1 ) ( resid 16 and name HG21 ) 4.4 2.6 1.6
assign (resid 15 and name HB2 ) ( resid 15 and name HA ) 3.35 1.55 0.15
assign (resid 15 and name HB2 ) ( resid 15 and name HB1 ) 2.4 0.6 0.4
assign (resid 15 and name HB2 ) ( resid 16 and name HG21 ) 4.19 2.39 1.81
assign (resid 15 and name HD+ ) ( resid 15 and name HB2 ) 3.06 1.26 1.04
assign (resid 15 and name HD+ ) ( resid 15 and name HB1 ) 3.27 1.47 0.83
assign (resid 15 and name HD+ ) ( resid 15 and name HE+ ) 2.07 0.27 3.73
assign (resid 15 and name HD+ ) ( resid 16 and name HN ) 3.89 2.09 3.11
assign (resid 15 and name HD+ ) ( resid 16 and name HG21 ) 4.76 2.96 3.24
assign (resid 15 and name HE+ ) ( resid 13 and name HG21 ) 4.94 3.14 3.06
assign (resid 15 and name HE+ ) ( resid 15 and name HB2 ) 4.21 2.41 1.39
assign (resid 15 and name HE1 ) ( resid 15 and name HZ ) 2.45 0.65 0.45
assign (resid 15 and name HE2 ) ( resid 15 and name HZ ) 2.45 0.65 0.45
assign (resid 15 and name HN ) ( resid 13 and name HG11 ) 5 3.2 1
assign (resid 15 and name HN ) ( resid 14 and name HB2 ) 4.11 2.31 0.89
assign (resid 15 and name HN ) ( resid 15 and name HA ) 2.61 0.81 0.29
assign (resid 15 and name HN ) ( resid 15 and name HB2 ) 3.07 1.27 0.43
assign (resid 15 and name HN ) ( resid 15 and name HB1 ) 3.66 1.86 1.34
assign (resid 15 and name HN ) ( resid 15 and name HD+ ) 3.73 1.93 3.27
assign (resid 15 and name HN ) ( resid 16 and name HN ) 2.9 1.1 0.6
assign (resid 15 and name HZ ) ( resid 13 and name HG11 ) 4.17 2.37 1.83

assign (resid 16 and name HB ) ( resid 16 and name HG21 ) 3.89 2.09 1.11
assign (resid 16 and name HG21 ) ( resid 16 and name HA ) 3.46 1.66 1.54
assign (resid 16 and name HG21 ) ( resid 19 and name HB+ ) 4.24 2.44 2.76
assign (resid 16 and name HN ) ( resid 15 and name HB1 ) 4.17 2.37 0.83
assign (resid 16 and name HN ) ( resid 15 and name HB2 ) 3.65 1.85 1.35
assign (resid 16 and name HN ) ( resid 16 and name HG21 ) 3.95 2.15 1.05
assign (resid 16 and name HN ) ( resid 16 and name HB ) 3.65 1.85 1.35
assign (resid 16 and name HN ) ( resid 16 and name HA ) 2.89 1.09 0.61

assign (resid 17 and name HB1 ) ( resid 17 and name HA ) 3.21 1.41 0.29
assign (resid 17 and name HB1 ) ( resid 35 and name HN ) 4.53 2.73 0.47
assign (resid 17 and name HB2 ) ( resid 17 and name HB1 ) 2.39 0.59 0.41
assign (resid 17 and name HB2 ) ( resid 17 and name HA ) 3.42 1.62 1.58
assign (resid 17 and name HD21 ) ( resid 17 and name HB2 ) 3.03 1.23 0.47
assign (resid 17 and name HD21 ) ( resid 17 and name HD22 ) 2 0.3 0.8
assign (resid 17 and name HD21 ) ( resid 17 and name HB1 ) 3.19 1.39 0.31
assign (resid 17 and name HD22 ) ( resid 17 and name HB2 ) 3.46 1.66 1.54
assign (resid 17 and name HD22 ) ( resid 17 and name HB1 ) 3.65 1.85 1.35
assign (resid 17 and name HN ) ( resid 16 and name HB ) 3.39 1.59 0.11
assign (resid 17 and name HN ) ( resid 16 and name HG21 ) 4.21 2.41 1.79
assign (resid 17 and name HN ) ( resid 16 and name HN ) 4.11 2.31 0.89
assign (resid 17 and name HN ) ( resid 16 and name HA ) 2.51 0.71 0.39
assign (resid 17 and name HN ) ( resid 17 and name HA ) 3.17 1.37 0.33
assign (resid 17 and name HN ) ( resid 17 and name HB2 ) 3.03 1.23 0.47
assign (resid 17 and name HN ) ( resid 17 and name HD21 ) 3.83 2.03 1.17
assign (resid 17 and name HN ) ( resid 17 and name HB1 ) 3.39 1.59 0.11
assign (resid 17 and name HN ) ( resid 18 and name HN ) 3.04 1.24 0.46

assign (resid 18 and name HA ) ( resid 18 and name HB1 ) 3.35 1.55 1.75
assign (resid 18 and name HA ) ( resid 21 and name HB1 ) 3.56 1.76 1.44
assign (resid 18 and name HA ) ( resid 21 and name HB2 ) 3.88 2.08 1.12
assign (resid 18 and name HN ) ( resid 16 and name HG21 ) 3.61 1.81 2.39
assign (resid 18 and name HN ) ( resid 16 and name HA ) 4.07 2.27 0.93
assign (resid 18 and name HN ) ( resid 16 and name HB ) 3.24 1.44 0.26
assign (resid 18 and name HN ) ( resid 17 and name HA ) 3.8 2 1.2
assign (resid 18 and name HN ) ( resid 17 and name HB1 ) 3.47 1.67 1.53
assign (resid 18 and name HN ) ( resid 17 and name HB2 ) 3.26 1.46 0.24
assign (resid 18 and name HN ) ( resid 18 and name HA ) 2.85 1.05 0.65
assign (resid 18 and name HN ) ( resid 18 and name HB1 ) 2.94 1.14 1.16
assign (resid 18 and name HN ) ( resid 19 and name HN ) 3.22 1.42 0.28

assign (resid 19 and name HB+ ) ( resid 19 and name HA ) 3.32 1.52 0.18
assign (resid 19 and name HN ) ( resid 16 and name HG21 ) 4.02 2.22 1.98
assign (resid 19 and name HN ) ( resid 16 and name HB ) 3.68 1.88 1.32
assign (resid 19 and name HN ) ( resid 18 and name HB1 ) 3.66 1.86 2.34
assign (resid 19 and name HN ) ( resid 19 and name HA ) 3.11 1.31 0.39
assign (resid 19 and name HN ) ( resid 19 and name HB+ ) 2.69 0.89 1.21
assign (resid 19 and name HN ) ( resid 20 and name HN ) 2.95 1.15 0.55

assign (resid 20 and name HB1 ) ( resid 20 and name HA ) 3.02 1.22 0.48
assign (resid 20 and name HB2 ) ( resid 20 and name HA ) 3.16 1.36 0.34
assign (resid 20 and name HB2 ) ( resid 20 and name HB1 ) 2.38 0.58 0.42
assign (resid 20 and name HN ) ( resid 20 and name HB1 ) 3.24 1.44 0.26
assign (resid 20 and name HN ) ( resid 20 and name HA ) 2.86 1.06 0.64
assign (resid 20 and name HN ) ( resid 20 and name HB2 ) 3.02 1.22 0.48

assign (resid 21 and name HA ) ( resid 21 and name HB1 ) 3.84 2.04 1.16
assign (resid 21 and name HA ) ( resid 21 and name HB2 ) 3.67 1.87 1.33
assign (resid 21 and name HB2 ) ( resid 21 and name HB1 ) 2.53 0.73 0.37
assign (resid 21 and name HN ) ( resid 18 and name HA ) 3.24 1.44 0.26
assign (resid 21 and name HN ) ( resid 19 and name HN ) 4.29 2.49 0.71
assign (resid 21 and name HN ) ( resid 20 and name HA ) 3.69 1.89 1.31
assign (resid 21 and name HN ) ( resid 20 and name HB1 ) 3.39 1.59 0.11
assign (resid 21 and name HN ) ( resid 20 and name HB2 ) 3.1 1.3 0.4
assign (resid 21 and name HN ) ( resid 20 and name HN ) 2.85 1.05 0.65
assign (resid 21 and name HN ) ( resid 21 and name HB2 ) 2.75 0.95 0.55
assign (resid 21 and name HN ) ( resid 21 and name HA ) 3.16 1.36 0.34
assign (resid 21 and name HN ) ( resid 21 and name HB1 ) 2.85 1.05 0.65
assign (resid 21 and name HN ) ( resid 22 and name HN ) 3.07 1.27 0.43

assign (resid 22 and name HB1 ) ( resid 22 and name HA ) 3.02 1.22 0.48
assign (resid 22 and name HB1 ) ( resid 22 and name HB2 ) 2.15 0.35 0.65
assign (resid 22 and name HB2 ) ( resid 22 and name HA ) 2.98 1.18 0.52
assign (resid 22 and name HN ) ( resid 18 and name HA ) 3.47 1.67 1.53
assign (resid 22 and name HN ) ( resid 19 and name HA ) 3.52 1.72 1.48
assign (resid 22 and name HN ) ( resid 21 and name HB2 ) 3.37 1.57 0.13
assign (resid 22 and name HN ) ( resid 21 and name HB1 ) 2.87 1.07 0.63
assign (resid 22 and name HN ) ( resid 21 and name HA ) 3.79 1.99 1.21
assign (resid 22 and name HN ) ( resid 22 and name HB2 ) 2.75 0.95 0.15
assign (resid 22 and name HN ) ( resid 22 and name HA ) 2.9 1.1 0.6
assign (resid 22 and name HN ) ( resid 22 and name HB1 ) 2.78 0.98 0.12
assign (resid 22 and name HN ) ( resid 23 and name HN ) 3.06 1.26 0.44

assign (resid 23 and name HB1 ) ( resid 20 and name HA ) 3.55 1.75 1.45
assign (resid 23 and name HB2 ) ( resid 23 and name HA ) 3.2 1.4 0.3
assign (resid 23 and name HD2 ) ( resid 10 and name HB1 ) 3.47 1.67 1.53
assign (resid 23 and name HD2 ) ( resid 11 and name HG+ ) 3.41 1.61 2.59
assign (resid 23 and name HD2 ) ( resid 20 and name HB2 ) 4.07 2.27 0.93
assign (resid 23 and name HD2 ) ( resid 23 and name HB1 ) 2.86 1.06 0.84
assign (resid 23 and name HD2 ) ( resid 23 and name HA ) 3.47 1.67 1.53
assign (resid 23 and name HD2 ) ( resid 23 and name HB2 ) 3 1.2 0.8
assign (resid 23 and name HD2 ) ( resid 27 and name HG1 ) 3.47 1.67 1.53
assign (resid 23 and name HE1 ) ( resid 7 and name HB1 ) 4.26 2.46 1.74
assign (resid 23 and name HE1 ) ( resid 10 and name HA ) 3.47 1.67 1.53
assign (resid 23 and name HE1 ) ( resid 10 and name HB2 ) 3.53 1.73 1.47
assign (resid 23 and name HE1 ) ( resid 23 and name HD2 ) 3.64 1.84 1.36
assign (resid 23 and name HE1 ) ( resid 40 and name HB2 ) 3.41 1.61 1.59
assign (resid 23 and name HN ) ( resid 20 and name HA ) 3.51 1.71 1.49
assign (resid 23 and name HN ) ( resid 22 and name HB2 ) 3.25 1.45 0.25
assign (resid 23 and name HN ) ( resid 22 and name HB1 ) 2.99 1.19 0.51
assign (resid 23 and name HN ) ( resid 23 and name HA ) 2.92 1.12 0.58
assign (resid 23 and name HN ) ( resid 23 and name HB2 ) 2.79 0.99 0.11
assign (resid 23 and name HN ) ( resid 23 and name HB1 ) 3.02 1.22 0.48
assign (resid 23 and name HN ) ( resid 23 and name HD2 ) 3.89 2.09 1.11

assign (resid 24 and name HA ) ( resid 28 and name HB1 ) 3.39 1.59 1.11
assign (resid 24 and name HB1 ) ( resid 24 and name HA ) 2.98 1.18 0.52
assign (resid 24 and name HB1 ) ( resid 30 and name HD* ) 5 3.2 2.5
assign (resid 24 and name HB1 ) ( resid 30 and name HB1 ) 3.83 2.03 1.17
assign (resid 24 and name HB1 ) ( resid 30 and name HB2 ) 3.65 1.85 1.35
assign (resid 24 and name HB1 ) ( resid 33 and name HA2 ) 4.4 2.6 0.6
assign (resid 24 and name HB1 ) ( resid 42 and name HB1 ) 3.36 1.56 0.14
assign (resid 24 and name HB2 ) ( resid 24 and name HB1 ) 2.28 0.48 0.52
assign (resid 24 and name HB2 ) ( resid 24 and name HA ) 3.17 1.37 0.33
assign (resid 24 and name HB2 ) ( resid 33 and name HA2 ) 3.98 2.18 1.02
assign (resid 24 and name HB2 ) ( resid 42 and name HB1 ) 3.98 2.18 1.02
assign (resid 24 and name HN ) ( resid 20 and name HA ) 4.06 2.26 0.94
assign (resid 24 and name HN ) ( resid 23 and name HB2 ) 3.33 1.53 0.17
assign (resid 24 and name HN ) ( resid 23 and name HN ) 2.97 1.17 0.53
assign (resid 24 and name HN ) ( resid 23 and name HB1 ) 2.9 1.1 0.6
assign (resid 24 and name HN ) ( resid 23 and name HD2 ) 3.71 1.91 1.39
assign (resid 24 and name HN ) ( resid 24 and name HB2 ) 2.77 0.97 0.13
assign (resid 24 and name HN ) ( resid 24 and name HB1 ) 3.16 1.36 0.34
assign (resid 24 and name HN ) ( resid 24 and name HA ) 3.09 1.29 0.41
assign (resid 24 and name HN ) ( resid 25 and name HN ) 3.24 1.44 0.26

assign (resid 25 and name HA ) ( resid 25 and name HG+ ) 3.74 1.94 2.26
assign (resid 25 and name HA ) ( resid 25 and name HB+ ) 3.78 1.98 1.22
assign (resid 25 and name HA ) ( resid 25 and name HD+ ) 3.82 2.02 2.18
assign (resid 25 and name HD+ ) ( resid 25 and name HB+ ) 2.79 0.99 2.11
assign (resid 25 and name HG+ ) ( resid 25 and name HB+ ) 2.58 0.78 1.32
assign (resid 25 and name HN ) ( resid 21 and name HA ) 3.74 1.94 1.26
assign (resid 25 and name HN ) ( resid 22 and name HA ) 3.65 1.85 1.35
assign (resid 25 and name HN ) ( resid 23 and name HN ) 4.07 2.27 0.93
assign (resid 25 and name HN ) ( resid 24 and name HB1 ) 3.58 1.78 1.42
assign (resid 25 and name HN ) ( resid 24 and name HB2 ) 3.24 1.44 0.26
assign (resid 25 and name HN ) ( resid 25 and name HB+ ) 2.88 1.08 1.62
assign (resid 25 and name HN ) ( resid 25 and name HG+ ) 3 1.2 1.5
assign (resid 25 and name HN ) ( resid 25 and name HA ) 3.14 1.34 0.36
assign (resid 25 and name HN ) ( resid 25 and name HD+ ) 3.63 1.83 2.37

assign (resid 26 and name HB1 ) ( resid 26 and name HA ) 3.26 1.46 0.24
assign (resid 26 and name HB1 ) ( resid 26 and name HB2 ) 2.16 0.36 0.64
assign (resid 26 and name HB1 ) ( resid 27 and name HN ) 3.74 1.94 1.26
assign (resid 26 and name HB2 ) ( resid 26 and name HA ) 2.97 1.17 0.53
assign (resid 26 and name HB2 ) ( resid 26 and name HD22 ) 3.66 1.86 1.34
assign (resid 26 and name HD21 ) ( resid 22 and name HA ) 3.11 1.31 0.39
assign (resid 26 and name HD21 ) ( resid 25 and name HB+ ) 3.89 2.09 1.11
assign (resid 26 and name HD21 ) ( resid 26 and name HB2 ) 2.97 1.17 0.53
assign (resid 26 and name HD21 ) ( resid 26 and name HD22 ) 1.95 0.15 1.45
assign (resid 26 and name HD21 ) ( resid 26 and name HB1 ) 2.77 0.97 0.13
assign (resid 26 and name HD22 ) ( resid 26 and name HB1 ) 3.34 1.54 0.16
assign (resid 26 and name HN ) ( resid 22 and name HA ) 3.77 1.97 1.23
assign (resid 26 and name HN ) ( resid 25 and name HB+ ) 3.11 1.31 1.39
assign (resid 26 and name HN ) ( resid 25 and name HA ) 3.38 1.58 0.12
assign (resid 26 and name HN ) ( resid 26 and name HA ) 3.34 1.54 0.16
assign (resid 26 and name HN ) ( resid 26 and name HD22 ) 4.15 2.35 0.85
assign (resid 26 and name HN ) ( resid 26 and name HD21 ) 3.72 1.92 1.28
assign (resid 26 and name HN ) ( resid 26 and name HB1 ) 2.92 1.12 0.58
assign (resid 26 and name HN ) ( resid 26 and name HB2 ) 3.41 1.61 1.59
assign (resid 26 and name HN ) ( resid 27 and name HN ) 3.07 1.27 0.43
assign (resid 26 and name HN ) ( resid 28 and name HN ) 4.15 2.35 0.85

assign (resid 27 and name HN ) ( resid 23 and name HA ) 3.16 1.36 0.34
assign (resid 27 and name HN ) ( resid 26 and name HB2 ) 3.98 2.18 1.02
assign (resid 27 and name HN ) ( resid 27 and name HD+ ) 3.89 2.09 2.11
assign (resid 27 and name HN ) ( resid 27 and name HB+ ) 2.97 1.17 1.53
assign (resid 27 and name HN ) ( resid 27 and name HG+ ) 4.04 2.24 1.96
assign (resid 27 and name HN ) ( resid 27 and name HA ) 3.14 1.34 0.36
assign (resid 27 and name HN ) ( resid 28 and name HN ) 2.68 0.88 0.22
assign (resid 27 and name HN ) ( resid 29 and name HN ) 3.89 2.09 1.11

assign (resid 28 and name HA ) ( resid 28 and name HB1 ) 3.53 1.73 1.47
assign (resid 28 and name HN ) ( resid 24 and name HA ) 3.58 1.78 1.42
assign (resid 28 and name HN ) ( resid 28 and name HB1 ) 3.01 1.21 1.49
assign (resid 28 and name HN ) ( resid 28 and name HA ) 3.3 1.5 0.2
assign (resid 28 and name HN ) ( resid 29 and name HN ) 2.92 1.12 0.58

assign (resid 29 and name HA ) ( resid 29 and name HB1 ) 3.58 1.78 1.42
assign (resid 29 and name HB1 ) ( resid 29 and name HB2 ) 2.2 0.4 0.6
assign (resid 29 and name HB2 ) ( resid 29 and name HA ) 3.14 1.34 0.36
assign (resid 29 and name HD2 ) ( resid 29 and name HB1 ) 3.24 1.44 0.26
assign (resid 29 and name HN ) ( resid 25 and name HA ) 4.17 2.37 0.83
assign (resid 29 and name HN ) ( resid 28 and name HA ) 3.78 1.98 1.22
assign (resid 29 and name HN ) ( resid 28 and name HB1 ) 3.83 2.03 2.17
assign (resid 29 and name HN ) ( resid 29 and name HB2 ) 3.89 2.09 1.11
assign (resid 29 and name HN ) ( resid 29 and name HA ) 2.71 0.91 0.19
assign (resid 29 and name HN ) ( resid 29 and name HB1 ) 4.04 2.24 0.96

assign (resid 30 and name HB1 ) ( resid 30 and name HA ) 3.17 1.37 0.33
assign (resid 30 and name HB1 ) ( resid 30 and name HB2 ) 2.54 0.74 0.36
assign (resid 30 and name HB2 ) ( resid 30 and name HA ) 3.49 1.69 1.51
assign (resid 30 and name HD11 ) ( resid 30 and name HB1 ) 3.3 1.5 0.9
assign (resid 30 and name HD11 ) ( resid 30 and name HA ) 2.98 1.18 1.52
assign (resid 30 and name HD11 ) ( resid 30 and name HN ) 4.34 2.54 1.66
assign (resid 30 and name HD11 ) ( resid 30 and name HG ) 2.75 0.95 0.15
assign (resid 30 and name HD11 ) ( resid 30 and name HB2 ) 3.6 1.8 1.4
assign (resid 30 and name HD11 ) ( resid 44 and name HB+ ) 3.52 1.72 3.48
assign (resid 30 and name HD11 ) ( resid 44 and name HG+ ) 3.58 1.78 3.42
assign (resid 30 and name HD21 ) ( resid 24 and name HA ) 4.53 2.73 1.47
assign (resid 30 and name HD21 ) ( resid 30 and name HA ) 3.68 1.88 2.32
assign (resid 30 and name HD21 ) ( resid 30 and name HB1 ) 3.14 1.34 0.86
assign (resid 30 and name HD21 ) ( resid 30 and name HG ) 2.89 1.09 0.61
assign (resid 30 and name HD21 ) ( resid 30 and name HN ) 4.34 2.54 1.62
assign (resid 30 and name HD21 ) ( resid 30 and name HB2 ) 3.09 1.29 0.41
assign (resid 30 and name HD21 ) ( resid 31 and name HN ) 4.76 2.96 1.24
assign (resid 30 and name HD21 ) ( resid 31 and name HN ) 4.04 2.24 1.96
assign (resid 30 and name HD21 ) ( resid 42 and name HB2 ) 3.59 1.79 2.41
assign (resid 30 and name HD21 ) ( resid 42 and name HB1 ) 3.31 1.51 1.19
assign (resid 30 and name HD21 ) ( resid 44 and name HB+ ) 4.02 2.22 3.68
assign (resid 30 and name HD21 ) ( resid 44 and name HG+ ) 3.7 1.9 3.3
assign (resid 30 and name HG ) ( resid 30 and name HA ) 3.43 1.63 1.57
assign (resid 30 and name HG ) ( resid 30 and name HB1 ) 2.94 1.14 0.56
assign (resid 30 and name HG ) ( resid 31 and name HN ) 3.41 1.61 1.59
assign (resid 30 and name HN ) ( resid 25 and name HA ) 3.12 1.32 0.38
assign (resid 30 and name HN ) ( resid 28 and name HN ) 4.53 2.73 0.47
assign (resid 30 and name HN ) ( resid 29 and name HA ) 3.3 1.5 0.2
assign (resid 30 and name HN ) ( resid 29 and name HN ) 3.05 1.25 0.45
assign (resid 30 and name HN ) ( resid 30 and name HA ) 3.56 1.76 1.44
assign (resid 30 and name HN ) ( resid 30 and name HG ) 3.55 1.75 1.45
assign (resid 30 and name HN ) ( resid 30 and name HB2 ) 3.08 1.28 0.42
assign (resid 30 and name HN ) ( resid 30 and name HB1 ) 3.57 1.77 1.43
assign (resid 30 and name HN ) ( resid 31 and name HN ) 4.53 2.73 0.47

assign (resid 31 and name HA ) ( resid 31 and name HD11 ) 4.37 2.57 1.63
assign (resid 31 and name HA ) ( resid 31 and name HG21 ) 3.22 1.42 0.88
assign (resid 31 and name HA ) ( resid 31 and name HG11 ) 3.23 1.43 0.27
assign (resid 31 and name HA ) ( resid 31 and name HB ) 3.44 1.64 1.56
assign (resid 31 and name HA ) ( resid 31 and name HG12 ) 3.52 1.72 1.48
assign (resid 31 and name HB ) ( resid 31 and name HD11 ) 3.13 1.33 0.37
assign (resid 31 and name HB ) ( resid 31 and name HG21 ) 3.06 1.26 0.44
assign (resid 31 and name HB ) ( resid 31 and name HG11 ) 3.1 1.3 0.4
assign (resid 31 and name HG11 ) ( resid 31 and name HD11 ) 2.96 1.16 0.54
assign (resid 31 and name HG12 ) ( resid 31 and name HG11 ) 2.6 0.8 0.3
assign (resid 31 and name HG12 ) ( resid 31 and name HD11 ) 3 1.2 0.5
assign (resid 31 and name HG12 ) ( resid 44 and name HA ) 3.41 1.61 1.59
assign (resid 31 and name HG21 ) ( resid 31 and name HG11 ) 3.02 1.22 1.48
assign (resid 31 and name HG21 ) ( resid 31 and name HG12 ) 3.51 1.71 1.49
assign (resid 31 and name HG21 ) ( resid 32 and name HB+ ) 3.41 1.61 3.59
assign (resid 31 and name HN ) ( resid 30 and name HA ) 3.91 2.11 1.09
assign (resid 31 and name HN ) ( resid 30 and name HB1 ) 2.59 0.79 0.31
assign (resid 31 and name HN ) ( resid 30 and name HB2 ) 2.92 1.12 0.58
assign (resid 31 and name HN ) ( resid 31 and name HB ) 2.89 1.09 0.61
assign (resid 31 and name HN ) ( resid 31 and name HG11 ) 3.38 1.58 0.12
assign (resid 31 and name HN ) ( resid 31 and name HA ) 3.19 1.39 0.31
assign (resid 31 and name HN ) ( resid 31 and name HG12 ) 2.82 1.02 0.68
assign (resid 31 and name HN ) ( resid 31 and name HG21 ) 4.17 2.37 1.83
assign (resid 31 and name HN ) ( resid 31 and name HD11 ) 4.29 2.49 1.71
assign (resid 31 and name HN ) ( resid 32 and name HN ) 3 1.2 0.5
assign (resid 31 and name HN ) ( resid 44 and name HA ) 3.56 1.76 1.44

assign (resid 32 and name HB+ ) ( resid 31 and name HB ) 3.61 1.81 2.39
assign (resid 32 and name HB+ ) ( resid 32 and name HA ) 3.39 1.59 0.11
assign (resid 32 and name HB+ ) ( resid 33 and name HN ) 3.65 1.85 2.35
assign (resid 32 and name HN ) ( resid 24 and name HB1 ) 4.07 2.27 0.93
assign (resid 32 and name HN ) ( resid 30 and name HB2 ) 4.31 2.51 0.69
assign (resid 32 and name HN ) ( resid 30 and name HB1 ) 4.01 2.21 0.99
assign (resid 32 and name HN ) ( resid 31 and name HG21 ) 3.7 1.9 2.3
assign (resid 32 and name HN ) ( resid 31 and name HA ) 3.79 1.99 1.21
assign (resid 32 and name HN ) ( resid 31 and name HB ) 2.81 1.01 0.69
assign (resid 32 and name HN ) ( resid 31 and name HG11 ) 3.83 2.03 1.17
assign (resid 32 and name HN ) ( resid 32 and name HB+ ) 3.26 1.46 1.24
assign (resid 32 and name HN ) ( resid 32 and name HA ) 3.32 1.52 0.18
assign (resid 32 and name HN ) ( resid 42 and name HA ) 4.26 2.46 0.74
assign (resid 32 and name HN ) ( resid 42 and name HB1 ) 3.98 2.18 1.02

assign (resid 33 and name HA1 ) ( resid 24 and name HB1 ) 4.04 2.24 0.96
assign (resid 33 and name HA1 ) ( resid 24 and name HB2 ) 3.82 2.02 1.18
assign (resid 33 and name HA1 ) ( resid 33 and name HA2 ) 3.06 1.26 0.44
assign (resid 33 and name HN ) ( resid 21 and name HB1 ) 4.13 2.33 0.87
assign (resid 33 and name HN ) ( resid 21 and name HB2 ) 3.77 1.97 1.23
assign (resid 33 and name HN ) ( resid 21 and name HA ) 2.74 0.94 0.76
assign (resid 33 and name HN ) ( resid 21 and name HN ) 4.8 3 0.2
assign (resid 33 and name HN ) ( resid 32 and name HA ) 2.98 1.18 0.52
assign (resid 33 and name HN ) ( resid 33 and name HA1 ) 3.35 1.55 0.15
assign (resid 33 and name HN ) ( resid 33 and name HA2 ) 3.51 1.71 1.49

assign (resid 34 and name HA ) ( resid 17 and name HB1 ) 3.87 2.07 1.13
assign (resid 34 and name HA ) ( resid 34 and name HG21 ) 4.57 2.77 0.43
assign (resid 34 and name HA ) ( resid 34 and name HB ) 3.31 1.51 0.19
assign (resid 34 and name HB ) ( resid 34 and name HG21 ) 3.62 1.82 1.38
assign (resid 34 and name HN ) ( resid 33 and name HA2 ) 2.8 1 0.7
assign (resid 34 and name HN ) ( resid 33 and name HA1 ) 3.16 1.36 0.34
assign (resid 34 and name HN ) ( resid 34 and name HB ) 3.65 1.85 1.35
assign (resid 34 and name HN ) ( resid 34 and name HA ) 3.26 1.46 0.24
assign (resid 34 and name HN ) ( resid 34 and name HG21 ) 3.78 1.98 2.22
assign (resid 34 and name HN ) ( resid 42 and name HA ) 4.37 2.57 0.63

assign (resid 35 and name HA ) ( resid 35 and name HB1 ) 3.46 1.66 1.54
assign (resid 35 and name HA ) ( resid 40 and name HA ) 3.16 1.36 0.34
assign (resid 35 and name HB1 ) ( resid 14 and name HB2 ) 4.29 2.49 0.71
assign (resid 35 and name HB1 ) ( resid 35 and name HB2 ) 2.33 0.53 0.47
assign (resid 35 and name HB2 ) ( resid 35 and name HA ) 3.59 1.79 1.41
assign (resid 35 and name HN ) ( resid 17 and name HA ) 3.31 1.51 0.19
assign (resid 35 and name HN ) ( resid 20 and name HB2 ) 4.46 2.66 0.54
assign (resid 35 and name HN ) ( resid 34 and name HA ) 2.8 1 0.1
assign (resid 35 and name HN ) ( resid 34 and name HB ) 4.06 2.26 0.94
assign (resid 35 and name HN ) ( resid 34 and name HG21 ) 4.11 2.31 1.89
assign (resid 35 and name HN ) ( resid 35 and name HB1 ) 3.47 1.67 1.53
assign (resid 35 and name HN ) ( resid 35 and name HA ) 3.79 1.99 1.21
assign (resid 35 and name HN ) ( resid 35 and name HB2 ) 3.11 1.31 0.39

assign (resid 36 and name HB1 ) ( resid 36 and name HA ) 3.27 1.47 0.23
assign (resid 36 and name HB2 ) ( resid 36 and name HA ) 3.38 1.58 0.12
assign (resid 36 and name HB2 ) ( resid 39 and name HD+ ) 3.5 1.7 2.5
assign (resid 36 and name HD2 ) ( resid 34 and name HG21 ) 4.02 2.22 0.98
assign (resid 36 and name HD2 ) ( resid 36 and name HB2 ) 3.29 1.49 0.21
assign (resid 36 and name HD2 ) ( resid 36 and name HN ) 3.93 2.13 1.07
assign (resid 36 and name HD2 ) ( resid 36 and name HB1 ) 3.47 1.67 1.53
assign (resid 36 and name HD2 ) ( resid 41 and name HB2 ) 2.98 1.18 0.52
assign (resid 36 and name HD2 ) ( resid 41 and name HB1 ) 3.41 1.61 1.59
assign (resid 36 and name HE1 ) ( resid 34 and name HG21 ) 3.12 1.32 1.38
assign (resid 36 and name HE1 ) ( resid 36 and name HD2 ) 4.34 2.54 0.66
assign (resid 36 and name HE1 ) ( resid 41 and name HE+ ) 4.53 2.73 2.47
assign (resid 36 and name HN ) ( resid 35 and name HA ) 2.88 1.08 0.62
assign (resid 36 and name HN ) ( resid 35 and name HB1 ) 3.47 1.67 1.53
assign (resid 36 and name HN ) ( resid 35 and name HB2 ) 4.04 2.24 0.96
assign (resid 36 and name HN ) ( resid 36 and name HB2 ) 3.54 1.74 1.46
assign (resid 36 and name HN ) ( resid 36 and name HB1 ) 3.85 2.05 1.15
assign (resid 36 and name HN ) ( resid 36 and name HA ) 3.62 1.82 1.38
assign (resid 36 and name HN ) ( resid 38 and name HN ) 4.5 2.7 0.5
assign (resid 36 and name HN ) ( resid 39 and name HN ) 3.27 1.47 0.23
assign (resid 36 and name HN ) ( resid 41 and name HD+ ) 3.28 1.48 2.22
assign (resid 36 and name HN ) ( resid 41 and name HE+ ) 3.81 2.01 3.19

assign (resid 37 and name HB1 ) ( resid 37 and name HA ) 3.21 1.41 0.29
assign (resid 37 and name HB1 ) ( resid 37 and name HB2 ) 2.33 0.53 0.47
assign (resid 37 and name HB2 ) ( resid 37 and name HA ) 3.45 1.65 1.55
assign (resid 37 and name HD22 ) ( resid 37 and name HD21 ) 1.94 0.24 0.86
assign (resid 37 and name HN ) ( resid 36 and name HB2 ) 3.93 2.13 1.07
assign (resid 37 and name HN ) ( resid 36 and name HA ) 2.63 0.83 0.27
assign (resid 37 and name HN ) ( resid 37 and name HB1 ) 3.95 2.15 1.05
assign (resid 37 and name HN ) ( resid 37 and name HB2 ) 3.82 2.02 1.18
assign (resid 37 and name HN ) ( resid 37 and name HA ) 2.69 0.89 0.21
assign (resid 37 and name HN ) ( resid 38 and name HN ) 3.4 1.6 0.4

assign (resid 38 and name HB1 ) ( resid 13 and name HG11 ) 3.87 2.07 2.13
assign (resid 38 and name HB1 ) ( resid 38 and name HA ) 3.38 1.58 0.12
assign (resid 38 and name HB1 ) ( resid 38 and name HB2 ) 2.27 0.47 0.53
assign (resid 38 and name HB2 ) ( resid 13 and name HG11 ) 3.42 1.62 2.58
assign (resid 38 and name HB2 ) ( resid 38 and name HA ) 3.09 1.29 0.41
assign (resid 38 and name HD1 ) ( resid 13 and name HG11 ) 3.98 2.18 2.02
assign (resid 38 and name HD1 ) ( resid 38 and name HB2 ) 3.19 1.39 0.31
assign (resid 38 and name HD1 ) ( resid 38 and name HA ) 4.53 2.73 0.47
assign (resid 38 and name HD1 ) ( resid 38 and name HB1 ) 2.96 1.16 0.54
assign (resid 38 and name HE1 ) ( resid 38 and name HZ2 ) 3.67 1.87 1.33
assign (resid 38 and name HE1 ) ( resid 38 and name HD1 ) 3.05 1.25 0.45
assign (resid 38 and name HE3 ) ( resid 13 and name HG11 ) 3.6 1.8 2.4
assign (resid 38 and name HE3 ) ( resid 38 and name HZ3 ) 2.38 0.58 0.42
assign (resid 38 and name HE3 ) ( resid 38 and name HB1 ) 3.57 1.77 1.43
assign (resid 38 and name HE3 ) ( resid 38 and name HB2 ) 3.41 1.61 1.59
assign (resid 38 and name HE3 ) ( resid 38 and name HA ) 3.03 1.23 1.07
assign (resid 38 and name HH2 ) ( resid 38 and name HZ3 ) 2.48 0.68 0.42
assign (resid 38 and name HN ) ( resid 37 and name HA ) 3.09 1.29 0.41
assign (resid 38 and name HN ) ( resid 38 and name HB1 ) 4.37 2.57 0.63
assign (resid 38 and name HN ) ( resid 38 and name HE3 ) 4.53 2.73 1.27
assign (resid 38 and name HN ) ( resid 38 and name HB2 ) 4.37 2.57 0.63
assign (resid 38 and name HN ) ( resid 38 and name HA ) 2.7 0.9 0.2
assign (resid 38 and name HN ) ( resid 39 and name HN ) 3.29 1.49 0.21
assign (resid 38 and name HZ2 ) ( resid 38 and name HH2 ) 2.42 0.62 0.48
assign (resid 38 and name HZ3 ) ( resid 13 and name HG11 ) 4.76 2.96 1.24

assign (resid 39 and name HB+ ) ( resid 6 and name HD21 ) 4.87 3.07 2.13
assign (resid 39 and name HB+ ) ( resid 39 and name HA ) 3.74 1.94 1.26
assign (resid 39 and name HD+ ) ( resid 39 and name HA ) 3.78 1.98 2.22
assign (resid 39 and name HG+ ) ( resid 6 and name HD21 ) 3.6 1.8 3.4
assign (resid 39 and name HG+ ) ( resid 39 and name HA ) 3.01 1.21 0.49
assign (resid 39 and name HG+ ) ( resid 39 and name HB+ ) 2.43 0.63 1.47
assign (resid 39 and name HN ) ( resid 37 and name HB2 ) 4.37 2.57 0.73
assign (resid 39 and name HN ) ( resid 38 and name HB1 ) 4.53 2.73 0.47
assign (resid 39 and name HN ) ( resid 38 and name HA ) 3.53 1.73 1.47
assign (resid 39 and name HN ) ( resid 39 and name HB+ ) 3.21 1.41 1.29
assign (resid 39 and name HN ) ( resid 39 and name HA ) 3.55 1.75 1.45
assign (resid 39 and name HN ) ( resid 39 and name HG+ ) 3.52 1.72 1.48

assign (resid 40 and name HB1 ) ( resid 7 and name HB1 ) 3.54 1.74 2.46
assign (resid 40 and name HB1 ) ( resid 20 and name HB1 ) 3.89 2.09 1.11
assign (resid 40 and name HB1 ) ( resid 40 and name HA ) 3.36 1.56 0.14
assign (resid 40 and name HB1 ) ( resid 40 and name HB2 ) 2.34 0.54 0.46
assign (resid 40 and name HB2 ) ( resid 20 and name HB1 ) 3.83 2.03 1.17
assign (resid 40 and name HB2 ) ( resid 40 and name HA ) 3.21 1.41 0.29
assign (resid 40 and name HN ) ( resid 6 and name HD21 ) 4.61 2.81 1.39
assign (resid 40 and name HN ) ( resid 6 and name HB2 ) 4.24 2.44 0.76
assign (resid 40 and name HN ) ( resid 10 and name HD+ ) 4.01 2.21 1.99
assign (resid 40 and name HN ) ( resid 39 and name HB+ ) 4.01 2.21 1.99
assign (resid 40 and name HN ) ( resid 39 and name HG+ ) 3.26 1.46 1.24
assign (resid 40 and name HN ) ( resid 39 and name HA ) 2.61 0.81 0.29
assign (resid 40 and name HN ) ( resid 40 and name HB2 ) 3.17 1.37 0.33
assign (resid 40 and name HN ) ( resid 40 and name HA ) 3.29 1.49 0.21
assign (resid 40 and name HN ) ( resid 40 and name HB1 ) 3.03 1.23 0.47

assign (resid 41 and name HB1 ) ( resid 4 and name HB+ ) 3.14 1.34 1.36
assign (resid 41 and name HB1 ) ( resid 41 and name HA ) 3.24 1.44 0.26
assign (resid 41 and name HB2 ) ( resid 41 and name HB1 ) 2.37 0.57 0.43
assign (resid 41 and name HB2 ) ( resid 41 and name HA ) 3.21 1.41 0.29
assign (resid 41 and name HD+ ) ( resid 4 and name HG+ ) 4.29 2.49 3.71
assign (resid 41 and name HD+ ) ( resid 4 and name HB+ ) 3.03 1.23 3.47
assign (resid 41 and name HD+ ) ( resid 6 and name HA ) 3.33 1.53 2.17
assign (resid 41 and name HD+ ) ( resid 36 and name HD2 ) 3.11 1.31 2.39
assign (resid 41 and name HD+ ) ( resid 41 and name HB2 ) 2.73 0.93 1.17
assign (resid 41 and name HD+ ) ( resid 41 and name HB1 ) 2.68 0.88 2.22
assign (resid 41 and name HE+ ) ( resid 6 and name HB2 ) 3.72 1.92 3.28
assign (resid 41 and name HE+ ) ( resid 6 and name HD11 ) 4.66 2.86 3.34
assign (resid 41 and name HE+ ) ( resid 6 and name HA ) 3.98 2.18 3.02
assign (resid 41 and name HE+ ) ( resid 6 and name HD21 ) 3.92 2.12 4.08
assign (resid 41 and name HE+ ) ( resid 36 and name HB1 ) 3.53 1.73 3.47
assign (resid 41 and name HE+ ) ( resid 36 and name HD2 ) 4.02 2.22 2.98
assign (resid 41 and name HE+ ) ( resid 36 and name HB2 ) 3.48 1.68 3.52
assign (resid 41 and name HE+ ) ( resid 39 and name HB+ ) 2.75 0.95 3.15
assign (resid 41 and name HE+ ) ( resid 39 and name HG+ ) 3.21 1.41 3.29
assign (resid 41 and name HE+ ) ( resid 41 and name HD+ ) 2.49 0.69 2.61
assign (resid 41 and name HE1 ) ( resid 41 and name HZ ) 2.31 0.51 0.49
assign (resid 41 and name HE2 ) (resid 41 and name HZ ) 2.31 0.51 0.49
assign (resid 41 and name HN ) ( resid 34 and name HN ) 3.52 1.72 1.48
assign (resid 41 and name HN ) ( resid 35 and name HA ) 3.85 2.05 1.15
assign (resid 41 and name HN ) ( resid 40 and name HB2 ) 3.89 2.09 1.11
assign (resid 41 and name HN ) ( resid 40 and name HA ) 2.89 1.09 0.61
assign (resid 41 and name HN ) ( resid 41 and name HB2 ) 3.08 1.28 0.42
assign (resid 41 and name HN ) ( resid 41 and name HA ) 2.75 0.95 0.25
assign (resid 41 and name HN ) ( resid 41 and name HD+ ) 3.38 1.58 2.12
assign (resid 41 and name HN ) ( resid 41 and name HB1 ) 3.73 1.93 1.27
assign (resid 41 and name HZ ) ( resid 6 and name HD21 ) 4.21 2.41 1.79
assign (resid 41 and name HZ ) ( resid 39 and name HB+ ) 3.77 1.97 2.23
assign (resid 41 and name HZ ) ( resid 41 and name HD+ ) 3.33 1.53 1.17

assign (resid 42 and name HA ) ( resid 20 and name HB1 ) 3.84 2.04 1.16
assign (resid 42 and name HA ) ( resid 33 and name HA2 ) 3.02 1.22 0.48
assign (resid 42 and name HA ) ( resid 33 and name HA1 ) 3.48 1.68 1.52
assign (resid 42 and name HA ) ( resid 42 and name HB1 ) 3.04 1.24 0.46
assign (resid 42 and name HA ) ( resid 42 and name HB2 ) 3.68 1.88 1.32
assign (resid 42 and name HB1 ) ( resid 30 and name HB1 ) 3.74 1.94 1.26
assign (resid 42 and name HB2 ) ( resid 42 and name HB1 ) 2.31 0.51 0.49
assign (resid 42 and name HN ) ( resid 41 and name HB1 ) 3.65 1.85 1.35
assign (resid 42 and name HN ) ( resid 41 and name HA ) 2.62 0.82 0.28
assign (resid 42 and name HN ) ( resid 42 and name HB2 ) 3.29 1.49 0.21
assign (resid 42 and name HN ) ( resid 42 and name HB1 ) 3.3 1.5 0.2
assign (resid 42 and name HN ) ( resid 42 and name HA ) 3.49 1.69 1.51

assign (resid 43 and name HG21 ) ( resid 43 and name HA ) 3.07 1.27 1.03
assign (resid 43 and name HG21 ) ( resid 43 and name HB ) 2.68 0.88 1.22
assign (resid 43 and name HN ) ( resid 30 and name HD21 ) 4.88 3.08 1.12
assign (resid 43 and name HN ) ( resid 32 and name HN ) 3.33 1.53 0.17
assign (resid 43 and name HN ) ( resid 33 and name HA2 ) 3.85 2.05 1.15
assign (resid 43 and name HN ) ( resid 42 and name HB1 ) 3.22 1.42 0.28
assign (resid 43 and name HN ) ( resid 42 and name HA ) 2.79 0.99 0.11
assign (resid 43 and name HN ) ( resid 42 and name HB2 ) 4.15 2.35 0.85
assign (resid 43 and name HN ) ( resid 43 and name HA ) 3.24 1.44 0.26
assign (resid 43 and name HN ) ( resid 43 and name HB ) 2.91 1.11 0.59
assign (resid 43 and name HN ) ( resid 43 and name HG21 ) 4.26 2.46 1.74

assign (resid 44 and name HB1 ) ( resid 3 and name HB+ ) 3.96 2.16 2.04
assign (resid 44 and name HB1 ) ( resid 44 and name HE22 ) 4.01 2.21 0.99
assign (resid 44 and name HB1 ) ( resid 44 and name HA ) 3.07 1.27 0.43
assign (resid 44 and name HB1 ) ( resid 44 and name HN ) 3.22 1.42 0.38
assign (resid 44 and name HB1 ) ( resid 44 and name HE21 ) 3.41 1.61 1.59
assign (resid 44 and name HB1 ) ( resid 44 and name HG+ ) 2.45 0.65 1.45
assign (resid 44 and name HB1 ) ( resid 45 and name HN ) 3.44 1.64 1.56
assign (resid 44 and name HB2 ) ( resid 44 and name HN ) 4.11 2.31 0.89
assign (resid 44 and name HB2 ) ( resid 44 and name HE21 ) 4.15 2.35 0.85
assign (resid 44 and name HB2 ) ( resid 44 and name HG+ ) 2.58 0.78 1.32
assign (resid 44 and name HB2 ) ( resid 44 and name HA ) 3.18 1.38 0.32
assign (resid 44 and name HB2 ) ( resid 45 and name HN ) 3.48 1.68 1.52
assign (resid 44 and name HE21 ) ( resid 30 and name HD* ) 4.24 2.44 3.16
assign (resid 44 and name HE21 ) ( resid 44 and name HE22 ) 1.9 0.2 0.9
assign (resid 44 and name HE22 ) ( resid 30 and name HD* ) 4.53 2.73 2.87
assign (resid 44 and name HG+ ) ( resid 44 and name HN ) 3.7 1.9 1.3
assign (resid 44 and name HG+ ) ( resid 44 and name HA ) 3.05 1.25 1.45
assign (resid 44 and name HN ) ( resid 2 and name HG21 ) 4.04 2.24 1.96
assign (resid 44 and name HN ) ( resid 2 and name HB ) 3.48 1.68 1.52
assign (resid 44 and name HN ) ( resid 30 and name HD11 ) 5 3.2 1
assign (resid 44 and name HN ) ( resid 43 and name HA ) 2.75 0.95 0.15
assign (resid 44 and name HN ) ( resid 43 and name HG21 ) 4.04 2.24 1.96
assign (resid 44 and name HN ) ( resid 44 and name HA ) 2.8 1 0.3

assign (resid 45 and name HB1 ) ( resid 45 and name HA ) 3.1 1.3 0.4
assign (resid 45 and name HB2 ) ( resid 45 and name HB1 ) 2.02 0.22 0.78
assign (resid 45 and name HB2 ) ( resid 45 and name HA ) 3.43 1.63 1.57
assign (resid 45 and name HD21 ) ( resid 31 and name HD11 ) 4.5 2.7 1.5
assign (resid 45 and name HD21 ) ( resid 45 and name HB2 ) 2.86 1.06 0.64
assign (resid 45 and name HD21 ) ( resid 45 and name HB1 ) 3.58 1.78 1.42
assign (resid 45 and name HD22 ) ( resid 31 and name HD11 ) 4.21 2.41 1.79
assign (resid 45 and name HD22 ) ( resid 45 and name HB2 ) 3.48 1.68 1.52
assign (resid 45 and name HD22 ) ( resid 45 and name HD21 ) 1.83 0.13 0.97
assign (resid 45 and name HN ) ( resid 30 and name HD11 ) 4.41 2.61 1.59
assign (resid 45 and name HN ) ( resid 31 and name HG12 ) 3.91 2.11 1.09
assign (resid 45 and name HN ) ( resid 31 and name HD11 ) 3.75 1.95 2.25
assign (resid 45 and name HN ) ( resid 44 and name HG+ ) 3.48 1.68 2.52
assign (resid 45 and name HN ) ( resid 44 and name HA ) 2.57 0.77 0.33
assign (resid 45 and name HN ) ( resid 45 and name HB1 ) 3.24 1.44 0.26
assign (resid 45 and name HN ) ( resid 45 and name HA ) 2.75 0.95 0.25
assign (resid 45 and name HN ) ( resid 45 and name HD21 ) 3.82 2.02 1.18
assign (resid 45 and name HN ) ( resid 45 and name HB2 ) 2.68 0.88 0.22
assign (resid 45 and name HN ) ( resid 46 and name HN ) 3.88 2.08 1.12

assign (resid 46 and name HB1 ) ( resid 3 and name HB+ ) 3.36 1.56 1.14
assign (resid 46 and name HB1 ) ( resid 44 and name HB1 ) 4.01 2.21 0.99
assign (resid 46 and name HB1 ) ( resid 46 and name HA ) 2.93 1.13 0.57
assign (resid 46 and name HB2 ) ( resid 46 and name HA ) 2.94 1.14 0.56
assign (resid 46 and name HB2 ) ( resid 46 and name HB1 ) 2.19 0.39 0.61
assign (resid 46 and name HN ) ( resid 1 and name HB+ ) 4.17 2.37 1.83
assign (resid 46 and name HN ) ( resid 2 and name HG21 ) 4.53 2.73 1.47
assign (resid 46 and name HN ) ( resid 2 and name HA ) 3.22 1.42 0.28
assign (resid 46 and name HN ) ( resid 45 and name HB1 ) 3.41 1.61 1.59
assign (resid 46 and name HN ) ( resid 45 and name HB2 ) 3.87 2.07 1.13
assign (resid 46 and name HN ) ( resid 45 and name HA ) 2.54 0.74 0.36
assign (resid 46 and name HN ) ( resid 46 and name HB1 ) 3.65 1.85 1.35
assign (resid 46 and name HN ) ( resid 46 and name HB2 ) 3.64 1.84 1.36
assign (resid 46 and name HN ) ( resid 46 and name HA ) 3.25 1.45 0.25

assign (resid 3 and name O) (resid 44 and name N)      2.85 0.45 0.90
assign (resid 3 and name O) (resid 44 and name HN)      1.90 0.40 0.80
 
assign (resid 5 and name O) (resid 42 and name N)      2.85 0.45 0.90
assign (resid 5 and name O) (resid 42 and name HN)      1.90 0.40 0.80
 
assign (resid 17 and name O) (resid 21 and name N)      2.85 0.45 0.90
assign (resid 17 and name O) (resid 21 and name HN)      1.90 0.40 0.80
 
assign (resid 19 and name O) (resid 23 and name N)      2.85 0.45 0.90
assign (resid 19 and name O) (resid 23 and name HN)      1.90 0.40 0.80
 
assign (resid 20 and name O) (resid 24 and name N)      2.85 0.45 0.90
assign (resid 20 and name O) (resid 24 and name HN)      1.90 0.40 0.80
 
assign (resid 21 and name O) (resid 25 and name N)      2.85 0.45 0.90
assign (resid 21 and name O) (resid 25 and name HN)      1.90 0.40 0.80
 
assign (resid 22 and name O) (resid 26 and name N)      2.85 0.45 0.90
assign (resid 22 and name O) (resid 26 and name HN)      1.90 0.40 0.80
 
assign (resid 23 and name O) (resid 27 and name N)      2.85 0.45 0.90
assign (resid 23 and name O) (resid 27 and name HN)      1.90 0.40 0.80
 
assign (resid 24 and name O) (resid 28 and name N)      2.85 0.45 0.90
assign (resid 24 and name O) (resid 28 and name HN)      1.90 0.40 0.80
 
assign (resid 32 and name O) (resid 43 and name N)      2.85 0.45 0.90
assign (resid 32 and name O) (resid 43 and name HN)      1.90 0.40 0.80
 
assign (resid 34 and name O) (resid 41 and name N)      2.85 0.45 0.90
assign (resid 34 and name O) (resid 41 and name HN)      1.90 0.40 0.80
 
assign (resid 36 and name O) (resid 39 and name N)      2.85 0.45 0.90
assign (resid 36 and name O) (resid 39 and name HN)      1.90 0.40 0.80
 
assign (resid 39 and name O) (resid 36 and name N)      2.85 0.45 0.90
assign (resid 39 and name O) (resid 36 and name HN)      1.90 0.40 0.80
 
assign (resid 40 and name O) (resid 7 and name N)      2.85 0.45 0.90
assign (resid 40 and name O) (resid 7 and name HN)      1.90 0.40 0.80
 
assign (resid 41 and name O) (resid 34 and name N)      2.85 0.45 0.90
assign (resid 41 and name O) (resid 34 and name HN)      1.90 0.40 0.80
 
assign (resid 42 and name O) (resid 5 and name N)      2.85 0.45 0.90
assign (resid 42 and name O) (resid 5 and name HN)      1.90 0.40 0.80

assign (resid    1   and name C     )
       (resid    2   and name N     )
       (resid    2   and name CA    )
       (resid    2   and name C     )   1  -140.00    30.00 2

assign (resid    2   and name C     )
       (resid    3   and name N     )
       (resid    3   and name CA    )
       (resid    3   and name C     )   1  -140.00    30.00 2

assign (resid    3   and name C     )
       (resid    4   and name N     )
       (resid    4   and name CA    )
       (resid    4   and name C     )   1  -140.00    30.00 2

assign (resid    4   and name C     )
       (resid    5   and name N     )
       (resid    5   and name CA    )
       (resid    5   and name C     )   1  -140.00    30.00 2

assign (resid    5   and name C     )
       (resid    6   and name N     )
       (resid    6   and name CA    )
       (resid    6   and name C     )   1  -60.00    30.00 2

assign (resid    6   and name C     )
       (resid    7   and name N     )
       (resid    7   and name CA    )
       (resid    7   and name C     )   1  -60.00    30.00 2

assign (resid    7   and name C     )
       (resid    8   and name N     )
       (resid    8   and name CA    )
       (resid    8   and name C     )   1  -60.00    30.00 2

assign (resid    8   and name C     )
       (resid    9   and name N     )
       (resid    9   and name CA    )
       (resid    9   and name C     )   1  -140.00    30.00 2

assign (resid    9   and name C     )
       (resid    10   and name N     )
       (resid    10   and name CA    )
       (resid    10   and name C     )   1  -140.00    30.00 2

assign (resid    10   and name C     )
       (resid    11   and name N     )
       (resid    11   and name CA    )
       (resid    11   and name C     )   1  -140.00    30.00 2

assign (resid    12   and name C     )
       (resid    13   and name N     )
       (resid    13   and name CA    )
       (resid    13   and name C     )   1  -60.00    30.00 2

assign (resid    16   and name C     )
       (resid    17   and name N     )
       (resid    17   and name CA    )
       (resid    17   and name C     )   1  -60.00    30.00 2

assign (resid    17   and name C     )
       (resid    18   and name N     )
       (resid    18   and name CA    )
       (resid    18   and name C     )   1  -60.00    30.00 2

assign (resid    18   and name C     )
       (resid    19   and name N     )
       (resid    19   and name CA    )
       (resid    19   and name C     )   1  -60.00    30.00 2

assign (resid    19   and name C     )
       (resid    20   and name N     )
       (resid    20   and name CA    )
       (resid    20   and name C     )   1  -60.00    30.00 2

assign (resid    20   and name C     )
       (resid    21   and name N     )
       (resid    21   and name CA    )
       (resid    21   and name C     )   1  -60.00    30.00 2

assign (resid    21   and name C     )
       (resid    22   and name N     )
       (resid    22   and name CA    )
       (resid    22   and name C     )   1  -60.00    30.00 2

assign (resid    22   and name C     )
       (resid    23   and name N     )
       (resid    23   and name CA    )
       (resid    23   and name C     )   1  -60.00    30.00 2

assign (resid    23   and name C     )
       (resid    24   and name N     )
       (resid    24   and name CA    )
       (resid    24   and name C     )   1  -60.00    30.00 2

assign (resid    24   and name C     )
       (resid    25   and name N     )
       (resid    25   and name CA    )
       (resid    25   and name C     )   1  -60.00    30.00 2

assign (resid    25   and name C     )
       (resid    26   and name N     )
       (resid    26   and name CA    )
       (resid    26   and name C     )   1  -60.00    30.00 2

assign (resid    28   and name C     )
       (resid    29   and name N     )
       (resid    29   and name CA    )
       (resid    29   and name C     )   1  -60.00    30.00 2

assign (resid    38   and name C     )
       (resid    39   and name N     )
       (resid    39   and name CA    )
       (resid    39   and name C     )   1  -140.00    30.00 2

assign (resid    39   and name C     )
       (resid    40   and name N     )
       (resid    40   and name CA    )
       (resid    40   and name C     )   1  -140.00    30.00 2

assign (resid    40   and name C     )
       (resid    41   and name N     )
       (resid    41   and name CA    )
       (resid    41   and name C     )   1  -140.00    30.00 2

assign (resid    41   and name C     )
       (resid    42   and name N     )
       (resid    42   and name CA    )
       (resid    42   and name C     )   1  -140.00    30.00 2

assign (resid    42   and name C     )
       (resid    43   and name N     )
       (resid    43   and name CA    )
       (resid    43   and name C     )   1  -140.00    30.00 2

assign (resid    43   and name C     )
       (resid    44   and name N     )
       (resid    44   and name CA    )
       (resid    44   and name C     )   1  -140.00    30.00 2

assign (resid    5   and name N     )
       (resid    5   and name CA    )
       (resid    5   and name CB    )
       (resid    5   and name CG    )   1  -60.00    30.00 2

assign (resid    6   and name N     )
       (resid    6   and name CA    )
       (resid    6   and name CB    )
       (resid    6   and name CG    )   1  180.00    30.00 2

assign (resid    10   and name N     )
       (resid    10   and name CA    )
       (resid    10   and name CB    )
       (resid    10   and name CG    )   1  180.00    30.00 2

assign (resid    14   and name N     )
       (resid    14   and name CA    )
       (resid    14   and name CB    )
       (resid    14   and name SG    )   1  180.00    30.00 2

assign (resid    15   and name N     )
       (resid    15   and name CA    )
       (resid    15   and name CB    )
       (resid    15   and name CG    )   1  -60.00    30.00 2

assign (resid    17   and name N     )
       (resid    17   and name CA    )
       (resid    17   and name CB    )
       (resid    17   and name CG    )   1  -60.00    30.00 2

assign (resid    20   and name N     )
       (resid    20   and name CA    )
       (resid    20   and name CB    )
       (resid    20   and name SG    )   1  -60.00    30.00 2

assign (resid    21   and name N     )
       (resid    21   and name CA    )
       (resid    21   and name CB    )
       (resid    21   and name CG    )   1  180.00    30.00 2

assign (resid    22   and name N     )
       (resid    22   and name CA    )
       (resid    22   and name CB    )
       (resid    22   and name CG    )   1  180.00    30.00 2

assign (resid    23   and name N     )
       (resid    23   and name CA    )
       (resid    23   and name CB    )
       (resid    23   and name CG    )   1  180.00    30.00 2

assign (resid    24   and name N     )
       (resid    24   and name CA    )
       (resid    24   and name CB    )
       (resid    24   and name SG    )   1  -60.00    30.00 2

assign (resid    26   and name N     )
       (resid    26   and name CA    )
       (resid    26   and name CB    )
       (resid    26   and name CG    )   1  -60.00    30.00 2

assign (resid    29   and name N     )
       (resid    29   and name CA    )
       (resid    29   and name CB    )
       (resid    29   and name CG    )   1  180.00    30.00 2

assign (resid    30   and name N     )
       (resid    30   and name CA    )
       (resid    30   and name CB    )
       (resid    30   and name CG    )   1  -60.00    30.00 2

assign (resid    35   and name N     )
       (resid    35   and name CA    )
       (resid    35   and name CB    )
       (resid    35   and name SG    )   1  -60.00    30.00 2

assign (resid    36   and name N     )
       (resid    36   and name CA    )
       (resid    36   and name CB    )
       (resid    36   and name CG    )   1  -60.00    30.00 2

assign (resid    38   and name N     )
       (resid    38   and name CA    )
       (resid    38   and name CB    )
       (resid    38   and name CG    )   1  -60.00    30.00 2

assign (resid    40   and name N     )
       (resid    40   and name CA    )
       (resid    40   and name CB    )
       (resid    40   and name SG    )   1  -60.00    30.00 2

assign (resid    41   and name N     )
       (resid    41   and name CA    )
       (resid    41   and name CB    )
       (resid    41   and name CG    )   1  -60.00    30.00 2

assign (resid    42   and name N     )
       (resid    42   and name CA    )
       (resid    42   and name CB    )
       (resid    42   and name SG    )   1  -60.00    30.00 2

assign (resid    44   and name N     )
       (resid    44   and name CA    )
       (resid    44   and name CB    )
       (resid    44   and name CG    )   1  180.00    30.00 2

assign (resid    45   and name N     )
       (resid    45   and name CA    )
       (resid    45   and name CB    )
       (resid    45   and name CG    )   1  -60.00    30.00 2

assign (resid    46   and name N     )
       (resid    46   and name CA    )
       (resid    46   and name CB    )
       (resid    46   and name SG    )   1  60.00    30.00 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          HT1       LYS   1 -10.990  -3.439  14.779
    2   2H    LYS   1          HT2       LYS   1 -10.833  -5.048  15.282
    3   3H    LYS   1          HT3       LYS   1 -12.311  -4.493  14.677
    4    HA   LYS   1           HA       LYS   1 -10.306  -5.740  13.255
    5   1HB   LYS   1          HB2       LYS   1 -12.702  -4.111  12.359
    6   2HB   LYS   1          HB1       LYS   1 -11.798  -5.190  11.308
    7   1HG   LYS   1          HG2       LYS   1 -12.415  -7.089  12.727
    8   2HG   LYS   1          HG1       LYS   1 -13.332  -6.002  13.774
    9   1HD   LYS   1          HD2       LYS   1 -14.803  -5.424  11.923
   10   2HD   LYS   1          HD1       LYS   1 -13.859  -6.438  10.832
   11   1HE   LYS   1          HE2       LYS   1 -14.461  -8.413  12.156
   12   2HE   LYS   1          HE1       LYS   1 -15.407  -7.393  13.243
   13   1HZ   LYS   1          HZ1       LYS   1 -16.915  -6.870  11.484
   14   2HZ   LYS   1          HZ2       LYS   1 -16.739  -8.553  11.502
   15   3HZ   LYS   1          HZ3       LYS   1 -15.945  -7.633  10.325
   16    H    THR   2           HN       THR   2  -9.632  -4.866  10.946
   17    HA   THR   2           HA       THR   2  -8.663  -2.098  11.179
   18    HB   THR   2           HB       THR   2  -6.492  -2.734  10.226
   19    HG1  THR   2           HG1      THR   2  -7.008  -5.441  10.690
   20   1HG2  THR   2          HG21      THR   2  -6.353  -2.652  12.556
   21   2HG2  THR   2          HG22      THR   2  -5.618  -4.189  12.104
   22   3HG2  THR   2          HG23      THR   2  -7.258  -4.155  12.748
   23    H    CYS   3           HN       CYS   3  -8.532  -0.949   9.257
   24    HA   CYS   3           HA       CYS   3  -9.691  -2.324   6.918
   25   1HB   CYS   3          HB2       CYS   3 -10.509   0.016   6.292
   26   2HB   CYS   3          HB1       CYS   3 -11.291  -0.752   7.668
   27    H    GLU   4           HN       GLU   4  -8.683  -2.218   5.004
   28    HA   GLU   4           HA       GLU   4  -6.158  -0.711   4.902
   29   1HB   GLU   4          HB2       GLU   4  -7.016  -3.142   3.313
   30   2HB   GLU   4          HB1       GLU   4  -5.472  -2.318   3.154
   31   1HG   GLU   4          HG2       GLU   4  -4.897  -2.911   5.441
   32   2HG   GLU   4          HG1       GLU   4  -6.461  -3.699   5.641
   33    H    HIS   5           HN       HIS   5  -5.625   0.479   3.056
   34    HA   HIS   5           HA       HIS   5  -7.795   0.904   1.120
   35   1HB   HIS   5          HB2       HIS   5  -6.219   3.089   2.501
   36   2HB   HIS   5          HB1       HIS   5  -7.378   3.341   1.200
   37    HD1  HIS   5           HD1      HIS   5  -9.844   2.063   1.937
   38    HD2  HIS   5           HD2      HIS   5  -7.365   3.642   4.869
   39    HE1  HIS   5           HE1      HIS   5 -11.322   2.418   3.942
   40    HE2  HIS   5           HE2      HIS   5  -9.759   3.222   5.749
   41    H    LEU   6           HN       LEU   6  -7.202   1.301  -0.952
   42    HA   LEU   6           HA       LEU   6  -4.404   0.837  -1.624
   43   1HB   LEU   6          HB2       LEU   6  -6.071  -0.531  -2.733
   44   2HB   LEU   6          HB1       LEU   6  -6.912   0.896  -3.314
   45    HG   LEU   6           HG       LEU   6  -4.132   0.072  -4.167
   46   1HD1  LEU   6          HD11      LEU   6  -5.801  -0.165  -6.328
   47   2HD1  LEU   6          HD12      LEU   6  -6.792  -0.785  -5.007
   48   3HD1  LEU   6          HD13      LEU   6  -5.215  -1.500  -5.336
   49   1HD2  LEU   6          HD21      LEU   6  -5.313   1.673  -6.093
   50   2HD2  LEU   6          HD22      LEU   6  -4.042   2.150  -4.967
   51   3HD2  LEU   6          HD23      LEU   6  -5.734   2.454  -4.570
   52    H    ALA   7           HN       ALA   7  -3.071   2.416  -2.218
   53    HA   ALA   7           HA       ALA   7  -4.025   5.132  -2.335
   54   1HB   ALA   7          HB1       ALA   7  -1.302   5.092  -3.019
   55   2HB   ALA   7          HB2       ALA   7  -1.529   3.826  -1.811
   56   3HB   ALA   7          HB3       ALA   7  -2.024   5.481  -1.458
   57    H    ASP   8           HN       ASP   8  -4.446   6.319  -4.053
   58    HA   ASP   8           HA       ASP   8  -4.339   5.189  -6.682
   59   1HB   ASP   8          HB2       ASP   8  -5.120   7.949  -5.735
   60   2HB   ASP   8          HB1       ASP   8  -5.349   7.341  -7.371
   61    H    THR   9           HN       THR   9  -2.045   6.897  -4.859
   62    HA   THR   9           HA       THR   9  -0.730   7.910  -7.290
   63    HB   THR   9           HB       THR   9  -0.181   8.642  -4.400
   64    HG1  THR   9           HG1      THR   9  -2.195   9.435  -5.213
   65   1HG2  THR   9          HG21      THR   9   1.697   8.914  -6.113
   66   2HG2  THR   9          HG22      THR   9   1.255  10.307  -5.127
   67   3HG2  THR   9          HG23      THR   9   0.697  10.196  -6.795
   68    H    TYR  10           HN       TYR  10  -0.382   5.463  -7.461
   69    HA   TYR  10           HA       TYR  10   2.065   4.639  -6.047
   70   1HB   TYR  10          HB2       TYR  10   0.139   3.150  -5.736
   71   2HB   TYR  10          HB1       TYR  10  -0.071   3.014  -7.474
   72    HD1  TYR  10           HD1      TYR  10   2.917   2.647  -5.240
   73    HD2  TYR  10           HD2      TYR  10   0.366   0.877  -8.149
   74    HE1  TYR  10           HE1      TYR  10   4.381   0.668  -5.316
   75    HE2  TYR  10           HE2      TYR  10   1.817  -1.102  -8.223
   76    HH   TYR  10           HH       TYR  10   4.641  -1.295  -7.551
   77    H    ARG  11           HN       ARG  11   3.088   2.772  -7.906
   78    HA   ARG  11           HA       ARG  11   3.828   4.535 -10.107
   79   1HB   ARG  11          HB2       ARG  11   5.276   2.059  -9.203
   80   2HB   ARG  11          HB1       ARG  11   5.896   3.371 -10.192
   81   1HG   ARG  11          HG2       ARG  11   5.641   4.867  -8.194
   82   2HG   ARG  11          HG1       ARG  11   5.265   3.420  -7.253
   83   1HD   ARG  11          HD2       ARG  11   7.401   2.452  -7.779
   84   2HD   ARG  11          HD1       ARG  11   7.783   3.780  -8.877
   85    HE   ARG  11           HE       ARG  11   7.266   4.852  -6.351
   86   1HH1  ARG  11          HH11      ARG  11   9.626   2.862  -7.944
   87   2HH1  ARG  11          HH12      ARG  11  10.921   3.334  -6.905
   88   1HH2  ARG  11          HH21      ARG  11   8.967   5.469  -4.963
   89   2HH2  ARG  11          HH22      ARG  11  10.541   4.799  -5.198
   90    H    GLY  12           HN       GLY  12   1.427   2.769 -10.040
   91   1HA   GLY  12          HA2       GLY  12   0.283   1.633 -11.708
   92   2HA   GLY  12          HA1       GLY  12   1.768   1.600 -12.653
   93    H    VAL  13           HN       VAL  13   3.277  -0.092 -12.300
   94    HA   VAL  13           HA       VAL  13   2.007  -2.545 -11.355
   95    HB   VAL  13           HB       VAL  13   4.614  -2.187 -12.846
   96   1HG1  VAL  13          HG11      VAL  13   3.017  -4.634 -12.123
   97   2HG1  VAL  13          HG12      VAL  13   4.701  -4.273 -11.728
   98   3HG1  VAL  13          HG13      VAL  13   4.239  -4.621 -13.394
   99   1HG2  VAL  13          HG21      VAL  13   1.865  -2.925 -13.846
  100   2HG2  VAL  13          HG22      VAL  13   3.344  -2.976 -14.805
  101   3HG2  VAL  13          HG23      VAL  13   2.744  -1.435 -14.191
  102    H    CYS  14           HN       CYS  14   3.245  -4.144 -10.127
  103    HA   CYS  14           HA       CYS  14   5.112  -2.932  -8.196
  104   1HB   CYS  14          HB2       CYS  14   3.100  -3.414  -6.998
  105   2HB   CYS  14          HB1       CYS  14   2.970  -5.012  -7.735
  106    H    PHE  15           HN       PHE  15   6.919  -4.078  -7.592
  107    HA   PHE  15           HA       PHE  15   7.454  -6.544  -9.109
  108   1HB   PHE  15          HB2       PHE  15   9.427  -4.389  -8.320
  109   2HB   PHE  15          HB1       PHE  15   9.848  -5.908  -9.106
  110    HD1  PHE  15           HD1      PHE  15   7.349  -3.173  -9.679
  111    HD2  PHE  15           HD2      PHE  15  10.354  -5.701 -11.317
  112    HE1  PHE  15           HE1      PHE  15   7.016  -2.131 -11.880
  113    HE2  PHE  15           HE2      PHE  15  10.030  -4.661 -13.523
  114    HZ   PHE  15           HZ       PHE  15   8.359  -2.873 -13.806
  115    H    THR  16           HN       THR  16   8.231  -4.799  -6.093
  116    HA   THR  16           HA       THR  16   8.470  -7.400  -4.749
  117    HB   THR  16           HB       THR  16  10.415  -6.631  -3.469
  118    HG1  THR  16           HG1      THR  16  10.605  -4.413  -5.200
  119   1HG2  THR  16          HG21      THR  16  11.804  -6.042  -5.805
  120   2HG2  THR  16          HG22      THR  16  10.494  -7.115  -6.300
  121   3HG2  THR  16          HG23      THR  16  11.618  -7.617  -5.038
  122    H    ASN  17           HN       ASN  17   7.979  -7.399  -2.513
  123    HA   ASN  17           HA       ASN  17   5.805  -5.939  -1.697
  124   1HB   ASN  17          HB2       ASN  17   7.929  -7.193   0.058
  125   2HB   ASN  17          HB1       ASN  17   6.319  -6.721   0.588
  126   1HD2  ASN  17          HD21      ASN  17   8.075  -9.299  -0.161
  127   2HD2  ASN  17          HD22      ASN  17   6.852 -10.343  -0.789
  128    H    ALA  18           HN       ALA  18   9.151  -4.947  -1.545
  129    HA   ALA  18           HA       ALA  18   8.886  -2.952   0.448
  130   1HB   ALA  18          HB1       ALA  18  11.009  -4.065  -0.599
  131   2HB   ALA  18          HB2       ALA  18  11.073  -2.412   0.013
  132   3HB   ALA  18          HB3       ALA  18  10.919  -2.706  -1.720
  133    H    SER  19           HN       SER  19   8.135  -2.954  -2.977
  134    HA   SER  19           HA       SER  19   8.285  -0.208  -3.497
  135   1HB   SER  19          HB2       SER  19   7.953  -1.992  -5.225
  136   2HB   SER  19          HB1       SER  19   6.270  -2.114  -4.710
  137    HG   SER  19           HG       SER  19   7.480  -0.236  -6.289
  138    H    CYS  20           HN       CYS  20   5.538  -2.100  -2.206
  139    HA   CYS  20           HA       CYS  20   3.805   0.178  -2.049
  140   1HB   CYS  20          HB2       CYS  20   3.628  -2.562  -0.801
  141   2HB   CYS  20          HB1       CYS  20   2.377  -1.337  -0.645
  142    H    ASP  21           HN       ASP  21   5.800  -1.598   0.282
  143    HA   ASP  21           HA       ASP  21   5.025  -0.396   2.647
  144   1HB   ASP  21          HB2       ASP  21   6.623  -2.293   2.443
  145   2HB   ASP  21          HB1       ASP  21   7.851  -1.172   1.875
  146    H    ASP  22           HN       ASP  22   7.890   0.589   0.745
  147    HA   ASP  22           HA       ASP  22   8.451   3.014   2.001
  148   1HB   ASP  22          HB2       ASP  22   9.900   1.929   0.297
  149   2HB   ASP  22          HB1       ASP  22   8.731   2.344  -0.950
  150    H    HIS  23           HN       HIS  23   6.556   2.418  -0.885
  151    HA   HIS  23           HA       HIS  23   5.558   4.905  -1.493
  152   1HB   HIS  23          HB2       HIS  23   5.228   3.072  -2.958
  153   2HB   HIS  23          HB1       HIS  23   4.440   2.118  -1.732
  154    HD1  HIS  23           HD1      HIS  23   3.446   5.616  -2.784
  155    HD2  HIS  23           HD2      HIS  23   2.114   1.726  -3.034
  156    HE1  HIS  23           HE1      HIS  23   1.082   5.758  -3.642
  157    HE2  HIS  23           HE2      HIS  23   0.241   3.396  -3.610
  158    H    CYS  24           HN       CYS  24   3.826   2.473   0.472
  159    HA   CYS  24           HA       CYS  24   1.760   4.132   1.332
  160   1HB   CYS  24          HB2       CYS  24   3.074   1.744   2.587
  161   2HB   CYS  24          HB1       CYS  24   1.809   2.619   3.440
  162    H    LYS  25           HN       LYS  25   4.740   3.381   3.174
  163    HA   LYS  25           HA       LYS  25   4.391   5.080   5.309
  164   1HB   LYS  25          HB2       LYS  25   6.934   4.311   3.877
  165   2HB   LYS  25          HB1       LYS  25   6.916   5.183   5.404
  166   1HG   LYS  25          HG2       LYS  25   5.905   3.345   6.533
  167   2HG   LYS  25          HG1       LYS  25   5.612   2.498   5.012
  168   1HD   LYS  25          HD2       LYS  25   8.001   2.231   4.665
  169   2HD   LYS  25          HD1       LYS  25   8.341   3.167   6.123
  170   1HE   LYS  25          HE2       LYS  25   7.407   1.485   7.519
  171   2HE   LYS  25          HE1       LYS  25   6.736   0.618   6.137
  172   1HZ   LYS  25          HZ1       LYS  25   9.654   1.019   6.511
  173   2HZ   LYS  25          HZ2       LYS  25   8.876  -0.046   5.428
  174   3HZ   LYS  25          HZ3       LYS  25   8.831  -0.336   7.106
  175    H    ASN  26           HN       ASN  26   5.795   5.903   2.158
  176    HA   ASN  26           HA       ASN  26   6.275   8.639   2.906
  177   1HB   ASN  26          HB2       ASN  26   6.509   7.126   0.315
  178   2HB   ASN  26          HB1       ASN  26   6.847   8.836   0.428
  179   1HD2  ASN  26          HD21      ASN  26   8.267   6.090   0.209
  180   2HD2  ASN  26          HD22      ASN  26   9.694   6.384   1.128
  181    H    LYS  27           HN       LYS  27   3.807   6.971   0.959
  182    HA   LYS  27           HA       LYS  27   2.553   9.452   0.176
  183   1HB   LYS  27          HB2       LYS  27   1.655   6.579  -0.072
  184   2HB   LYS  27          HB1       LYS  27   0.743   7.945  -0.705
  185   1HG   LYS  27          HG2       LYS  27   3.529   7.149  -1.510
  186   2HG   LYS  27          HG1       LYS  27   2.054   6.870  -2.445
  187   1HD   LYS  27          HD2       LYS  27   1.704   9.311  -2.567
  188   2HD   LYS  27          HD1       LYS  27   3.202   9.559  -1.667
  189   1HE   LYS  27          HE2       LYS  27   4.428   8.390  -3.480
  190   2HE   LYS  27          HE1       LYS  27   2.918   8.291  -4.390
  191   1HZ   LYS  27          HZ1       LYS  27   4.663  10.569  -3.947
  192   2HZ   LYS  27          HZ2       LYS  27   3.010  10.905  -3.824
  193   3HZ   LYS  27          HZ3       LYS  27   3.631  10.237  -5.250
  194    H    ALA  28           HN       ALA  28   1.535   6.768   2.288
  195    HA   ALA  28           HA       ALA  28  -0.085   8.696   3.802
  196   1HB   ALA  28          HB1       ALA  28  -1.278   6.918   2.218
  197   2HB   ALA  28          HB2       ALA  28  -1.957   7.396   3.773
  198   3HB   ALA  28          HB3       ALA  28  -1.047   5.891   3.634
  199    H    HIS  29           HN       HIS  29   1.625   8.863   5.189
  200    HA   HIS  29           HA       HIS  29   3.284   7.220   6.431
  201   1HB   HIS  29          HB2       HIS  29   3.194   9.645   6.785
  202   2HB   HIS  29          HB1       HIS  29   1.760   9.450   7.790
  203    HD1  HIS  29           HD1      HIS  29   5.277   7.969   7.818
  204    HD2  HIS  29           HD2      HIS  29   2.441   9.587  10.387
  205    HE1  HIS  29           HE1      HIS  29   6.344   7.944  10.100
  206    HE2  HIS  29           HE2      HIS  29   4.656   9.051  11.612
  207    H    LEU  30           HN       LEU  30   2.003   5.243   6.413
  208    HA   LEU  30           HA       LEU  30   0.618   4.807   8.979
  209   1HB   LEU  30          HB2       LEU  30   0.109   3.700   6.258
  210   2HB   LEU  30          HB1       LEU  30  -0.238   2.680   7.644
  211    HG   LEU  30           HG       LEU  30  -2.244   3.827   6.882
  212   1HD1  LEU  30          HD11      LEU  30  -2.891   3.807   8.994
  213   2HD1  LEU  30          HD12      LEU  30  -2.111   5.366   9.263
  214   3HD1  LEU  30          HD13      LEU  30  -1.208   3.872   9.515
  215   1HD2  LEU  30          HD21      LEU  30  -1.418   5.797   5.864
  216   2HD2  LEU  30          HD22      LEU  30  -0.638   6.326   7.354
  217   3HD2  LEU  30          HD23      LEU  30  -2.396   6.314   7.236
  218    H    ILE  31           HN       ILE  31   0.674   2.107   9.239
  219    HA   ILE  31           HA       ILE  31   3.359   1.679  10.027
  220    HB   ILE  31           HB       ILE  31   2.605  -0.524  10.812
  221   1HG1  ILE  31          HG12      ILE  31  -0.110   0.362   9.814
  222   2HG1  ILE  31          HG11      ILE  31   0.883  -0.906   9.093
  223   1HG2  ILE  31          HG21      ILE  31   2.472   1.054  12.459
  224   2HG2  ILE  31          HG22      ILE  31   0.797   0.511  12.381
  225   3HG2  ILE  31          HG23      ILE  31   1.273   2.016  11.595
  226   1HD1  ILE  31          HD11      ILE  31  -0.123  -0.972  11.922
  227   2HD1  ILE  31          HD12      ILE  31   0.649  -2.279  11.024
  228   3HD1  ILE  31          HD13      ILE  31  -0.954  -1.717  10.558
  229    H    SER  32           HN       SER  32   1.375  -0.043   7.575
  230    HA   SER  32           HA       SER  32   3.779  -0.585   6.057
  231   1HB   SER  32          HB2       SER  32   2.252  -2.849   7.360
  232   2HB   SER  32          HB1       SER  32   3.407  -3.072   6.046
  233    HG   SER  32           HG       SER  32   3.926  -2.057   8.647
  234    H    GLY  33           HN       GLY  33   3.345  -1.857   4.057
  235   1HA   GLY  33          HA2       GLY  33   0.595  -2.022   3.136
  236   2HA   GLY  33          HA1       GLY  33   1.555  -0.773   2.349
  237    H    THR  34           HN       THR  34   0.371  -3.592   1.617
  238    HA   THR  34           HA       THR  34   2.843  -4.573   0.331
  239    HB   THR  34           HB       THR  34   2.098  -6.181   1.972
  240    HG1  THR  34           HG1      THR  34   1.268  -7.749   0.019
  241   1HG2  THR  34          HG21      THR  34  -0.333  -7.084   0.705
  242   2HG2  THR  34          HG22      THR  34  -0.490  -5.439   1.319
  243   3HG2  THR  34          HG23      THR  34   0.001  -6.743   2.401
  244    H    CYS  35           HN       CYS  35   2.292  -6.055  -1.608
  245    HA   CYS  35           HA       CYS  35   0.667  -4.450  -3.426
  246   1HB   CYS  35          HB2       CYS  35   2.637  -6.684  -3.944
  247   2HB   CYS  35          HB1       CYS  35   1.733  -5.854  -5.210
  248    H    HIS  36           HN       HIS  36  -1.238  -5.005  -4.187
  249    HA   HIS  36           HA       HIS  36  -2.136  -7.819  -4.021
  250   1HB   HIS  36          HB2       HIS  36  -3.751  -5.335  -3.406
  251   2HB   HIS  36          HB1       HIS  36  -4.425  -6.951  -3.541
  252    HD1  HIS  36           HD1      HIS  36  -3.184  -8.706  -1.737
  253    HD2  HIS  36           HD2      HIS  36  -3.204  -4.655  -0.892
  254    HE1  HIS  36           HE1      HIS  36  -2.843  -8.534   0.743
  255    HE2  HIS  36           HE2      HIS  36  -3.088  -6.082   1.263
  256    H    ASN  37           HN       ASN  37  -2.630  -8.559  -6.034
  257    HA   ASN  37           HA       ASN  37  -3.113  -8.571  -8.285
  258   1HB   ASN  37          HB2       ASN  37  -4.980  -6.353  -7.396
  259   2HB   ASN  37          HB1       ASN  37  -5.056  -7.150  -8.962
  260   1HD2  ASN  37          HD21      ASN  37  -4.219  -9.605  -6.998
  261   2HD2  ASN  37          HD22      ASN  37  -5.782 -10.152  -6.531
  262    H    TRP  38           HN       TRP  38  -0.837  -7.042  -7.545
  263    HA   TRP  38           HA       TRP  38   0.726  -5.734  -8.552
  264   1HB   TRP  38          HB2       TRP  38  -1.369  -5.127 -10.647
  265   2HB   TRP  38          HB1       TRP  38   0.348  -4.791 -10.770
  266    HD1  TRP  38           HD1      TRP  38  -2.160  -7.563 -11.043
  267    HE1  TRP  38           HE1      TRP  38  -1.044  -9.649 -12.075
  268    HE3  TRP  38           HE3      TRP  38   2.679  -5.988 -10.935
  269    HZ2  TRP  38           HZ2      TRP  38   1.566 -10.498 -12.740
  270    HZ3  TRP  38           HZ3      TRP  38   4.436  -7.489 -11.777
  271    HH2  TRP  38           HH2      TRP  38   3.890  -9.700 -12.661
  272    H    LYS  39           HN       LYS  39  -1.885  -4.720  -6.958
  273    HA   LYS  39           HA       LYS  39  -1.317  -1.846  -7.286
  274   1HB   LYS  39          HB2       LYS  39  -3.741  -3.204  -6.073
  275   2HB   LYS  39          HB1       LYS  39  -3.530  -1.469  -6.284
  276   1HG   LYS  39          HG2       LYS  39  -3.559  -1.706  -8.681
  277   2HG   LYS  39          HG1       LYS  39  -3.604  -3.465  -8.541
  278   1HD   LYS  39          HD2       LYS  39  -5.787  -3.314  -7.427
  279   2HD   LYS  39          HD1       LYS  39  -5.741  -1.557  -7.583
  280   1HE   LYS  39          HE2       LYS  39  -5.686  -1.772 -10.019
  281   2HE   LYS  39          HE1       LYS  39  -5.721  -3.529  -9.866
  282   1HZ   LYS  39          HZ1       LYS  39  -7.897  -3.303  -8.740
  283   2HZ   LYS  39          HZ2       LYS  39  -7.924  -2.734 -10.333
  284   3HZ   LYS  39          HZ3       LYS  39  -7.869  -1.638  -9.045
  285    H    CYS  40           HN       CYS  40  -1.549  -0.563  -5.156
  286    HA   CYS  40           HA       CYS  40  -0.269  -2.099  -3.004
  287   1HB   CYS  40          HB2       CYS  40   0.070   0.769  -3.849
  288   2HB   CYS  40          HB1       CYS  40   0.517   0.216  -2.241
  289    H    PHE  41           HN       PHE  41  -1.169  -2.259  -1.117
  290    HA   PHE  41           HA       PHE  41  -3.383  -0.440  -0.414
  291   1HB   PHE  41          HB2       PHE  41  -3.096  -3.372   0.301
  292   2HB   PHE  41          HB1       PHE  41  -4.353  -2.303   0.911
  293    HD1  PHE  41           HD1      PHE  41  -6.351  -3.013   0.075
  294    HD2  PHE  41           HD2      PHE  41  -3.004  -2.816  -2.545
  295    HE1  PHE  41           HE1      PHE  41  -7.796  -3.625  -1.815
  296    HE2  PHE  41           HE2      PHE  41  -4.443  -3.423  -4.438
  297    HZ   PHE  41           HZ       PHE  41  -6.845  -3.818  -4.083
  298    H    CYS  42           HN       CYS  42  -3.288   0.447   1.625
  299    HA   CYS  42           HA       CYS  42  -0.839  -0.162   3.129
  300   1HB   CYS  42          HB2       CYS  42  -2.615   2.291   3.225
  301   2HB   CYS  42          HB1       CYS  42  -1.099   2.075   4.085
  302    H    THR  43           HN       THR  43  -1.045   0.030   5.540
  303    HA   THR  43           HA       THR  43  -3.566  -1.240   6.397
  304    HB   THR  43           HB       THR  43  -0.844  -1.254   7.723
  305    HG1  THR  43           HG1      THR  43  -0.675  -2.543   5.975
  306   1HG2  THR  43          HG21      THR  43  -1.769  -3.184   8.988
  307   2HG2  THR  43          HG22      THR  43  -3.366  -2.741   8.389
  308   3HG2  THR  43          HG23      THR  43  -2.467  -1.621   9.412
  309    H    GLN  44           HN       GLN  44  -4.944  -0.044   7.530
  310    HA   GLN  44           HA       GLN  44  -3.870   1.993   9.351
  311   1HB   GLN  44          HB2       GLN  44  -4.611   3.093   7.270
  312   2HB   GLN  44          HB1       GLN  44  -6.214   2.402   7.485
  313   1HG   GLN  44          HG2       GLN  44  -6.499   3.670   9.545
  314   2HG   GLN  44          HG1       GLN  44  -4.878   4.338   9.371
  315   1HE2  GLN  44          HE21      GLN  44  -8.004   5.079   9.025
  316   2HE2  GLN  44          HE22      GLN  44  -7.904   6.256   7.766
  317    H    ASN  45           HN       ASN  45  -4.689   1.921  11.327
  318    HA   ASN  45           HA       ASN  45  -6.628  -0.062  12.044
  319   1HB   ASN  45          HB2       ASN  45  -5.405   2.136  13.731
  320   2HB   ASN  45          HB1       ASN  45  -6.203   0.682  14.322
  321   1HD2  ASN  45          HD21      ASN  45  -4.791  -0.729  15.083
  322   2HD2  ASN  45          HD22      ASN  45  -3.225  -1.045  14.428
  323    H    CYS  46           HN       CYS  46  -8.781   0.180  12.459
  324    HA   CYS  46           HA       CYS  46  -9.920   2.805  12.956
  325   1HB   CYS  46          HB2       CYS  46 -11.568   2.636  11.128
  326   2HB   CYS  46          HB1       CYS  46  -9.923   2.733  10.507
  Start of MODEL    2
    1   1H    LYS   1          HT1       LYS   1  -9.241  -4.633  15.284
    2   2H    LYS   1          HT2       LYS   1 -10.650  -5.532  15.029
    3   3H    LYS   1          HT3       LYS   1 -10.662  -3.856  14.789
    4    HA   LYS   1           HA       LYS   1  -9.070  -5.795  13.200
    5   1HB   LYS   1          HB2       LYS   1 -11.659  -4.335  12.598
    6   2HB   LYS   1          HB1       LYS   1 -10.704  -5.163  11.379
    7   1HG   LYS   1          HG2       LYS   1 -11.024  -7.282  12.609
    8   2HG   LYS   1          HG1       LYS   1 -12.058  -6.426  13.758
    9   1HD   LYS   1          HD2       LYS   1 -13.625  -5.871  12.004
   10   2HD   LYS   1          HD1       LYS   1 -12.559  -6.563  10.783
   11   1HE   LYS   1          HE2       LYS   1 -14.362  -8.096  11.264
   12   2HE   LYS   1          HE1       LYS   1 -12.835  -8.777  11.823
   13   1HZ   LYS   1          HZ1       LYS   1 -15.030  -8.720  13.311
   14   2HZ   LYS   1          HZ2       LYS   1 -14.361  -7.240  13.778
   15   3HZ   LYS   1          HZ3       LYS   1 -13.475  -8.666  13.979
   16    H    THR   2           HN       THR   2  -8.764  -4.551  10.918
   17    HA   THR   2           HA       THR   2  -7.808  -1.825  11.505
   18    HB   THR   2           HB       THR   2  -5.860  -2.267  10.012
   19    HG1  THR   2           HG1      THR   2  -5.841  -4.943  10.223
   20   1HG2  THR   2          HG21      THR   2  -5.413  -2.392  12.349
   21   2HG2  THR   2          HG22      THR   2  -4.580  -3.726  11.552
   22   3HG2  THR   2          HG23      THR   2  -6.074  -4.025  12.439
   23    H    CYS   3           HN       CYS   3  -7.429  -0.525   9.502
   24    HA   CYS   3           HA       CYS   3  -9.456  -1.222   7.470
   25   1HB   CYS   3          HB2       CYS   3  -8.524   1.487   8.432
   26   2HB   CYS   3          HB1       CYS   3  -9.590   1.249   7.052
   27    H    GLU   4           HN       GLU   4  -8.822  -1.527   5.451
   28    HA   GLU   4           HA       GLU   4  -6.114  -0.661   4.679
   29   1HB   GLU   4          HB2       GLU   4  -7.721  -3.008   3.656
   30   2HB   GLU   4          HB1       GLU   4  -6.153  -2.517   3.032
   31   1HG   GLU   4          HG2       GLU   4  -5.184  -2.925   5.271
   32   2HG   GLU   4          HG1       GLU   4  -6.752  -3.515   5.806
   33    H    HIS   5           HN       HIS   5  -5.816   0.521   2.886
   34    HA   HIS   5           HA       HIS   5  -8.048   0.884   1.023
   35   1HB   HIS   5          HB2       HIS   5  -6.597   3.167   2.386
   36   2HB   HIS   5          HB1       HIS   5  -7.711   3.352   1.037
   37    HD1  HIS   5           HD1      HIS   5 -10.150   1.969   1.721
   38    HD2  HIS   5           HD2      HIS   5  -7.867   3.780   4.679
   39    HE1  HIS   5           HE1      HIS   5 -11.727   2.347   3.647
   40    HE2  HIS   5           HE2      HIS   5 -10.338   3.512   5.399
   41    H    LEU   6           HN       LEU   6  -7.455   1.173  -1.064
   42    HA   LEU   6           HA       LEU   6  -4.659   0.783  -1.724
   43   1HB   LEU   6          HB2       LEU   6  -6.357  -0.530  -2.870
   44   2HB   LEU   6          HB1       LEU   6  -7.145   0.930  -3.444
   45    HG   LEU   6           HG       LEU   6  -4.383   0.020  -4.270
   46   1HD1  LEU   6          HD11      LEU   6  -6.614   0.006  -6.183
   47   2HD1  LEU   6          HD12      LEU   6  -6.712  -1.207  -4.908
   48   3HD1  LEU   6          HD13      LEU   6  -5.301  -1.149  -5.962
   49   1HD2  LEU   6          HD21      LEU   6  -5.446   1.696  -6.191
   50   2HD2  LEU   6          HD22      LEU   6  -4.214   2.128  -5.004
   51   3HD2  LEU   6          HD23      LEU   6  -5.915   2.461  -4.674
   52    H    ALA   7           HN       ALA   7  -3.295   2.328  -2.373
   53    HA   ALA   7           HA       ALA   7  -4.248   5.069  -2.430
   54   1HB   ALA   7          HB1       ALA   7  -1.551   3.793  -2.255
   55   2HB   ALA   7          HB2       ALA   7  -2.354   4.889  -1.130
   56   3HB   ALA   7          HB3       ALA   7  -1.706   5.507  -2.655
   57    H    ASP   8           HN       ASP   8  -4.724   6.171  -4.170
   58    HA   ASP   8           HA       ASP   8  -4.392   5.154  -6.805
   59   1HB   ASP   8          HB2       ASP   8  -5.315   7.850  -5.809
   60   2HB   ASP   8          HB1       ASP   8  -5.395   7.331  -7.488
   61    H    THR   9           HN       THR   9  -2.259   6.960  -4.843
   62    HA   THR   9           HA       THR   9  -0.890   8.021  -7.221
   63    HB   THR   9           HB       THR   9  -0.440   8.749  -4.314
   64    HG1  THR   9           HG1      THR   9  -2.009   9.931  -6.343
   65   1HG2  THR   9          HG21      THR   9   1.486   9.150  -5.864
   66   2HG2  THR   9          HG22      THR   9   0.845  10.589  -5.068
   67   3HG2  THR   9          HG23      THR   9   0.451  10.260  -6.756
   68    H    TYR  10           HN       TYR  10  -0.512   5.549  -7.324
   69    HA   TYR  10           HA       TYR  10   1.951   4.836  -5.884
   70   1HB   TYR  10          HB2       TYR  10   0.021   3.307  -5.584
   71   2HB   TYR  10          HB1       TYR  10  -0.066   3.073  -7.321
   72    HD1  TYR  10           HD1      TYR  10   2.858   3.009  -4.987
   73    HD2  TYR  10           HD2      TYR  10   0.427   0.881  -7.752
   74    HE1  TYR  10           HE1      TYR  10   4.396   1.087  -4.853
   75    HE2  TYR  10           HE2      TYR  10   1.951  -1.044  -7.621
   76    HH   TYR  10           HH       TYR  10   4.361  -1.441  -7.050
   77    H    ARG  11           HN       ARG  11   2.915   2.890  -7.752
   78    HA   ARG  11           HA       ARG  11   3.760   4.623  -9.939
   79   1HB   ARG  11          HB2       ARG  11   5.209   2.128  -9.128
   80   2HB   ARG  11          HB1       ARG  11   5.852   3.615  -9.811
   81   1HG   ARG  11          HG2       ARG  11   5.413   4.757  -7.658
   82   2HG   ARG  11          HG1       ARG  11   4.879   3.218  -6.980
   83   1HD   ARG  11          HD2       ARG  11   7.629   3.850  -8.060
   84   2HD   ARG  11          HD1       ARG  11   7.181   3.693  -6.363
   85    HE   ARG  11           HE       ARG  11   6.500   1.307  -7.638
   86   1HH1  ARG  11          HH11      ARG  11   9.364   3.131  -6.877
   87   2HH1  ARG  11          HH12      ARG  11  10.376   1.735  -6.779
   88   1HH2  ARG  11          HH21      ARG  11   7.836  -0.519  -7.525
   89   2HH2  ARG  11          HH22      ARG  11   9.511  -0.333  -7.149
   90    H    GLY  12           HN       GLY  12   4.980   2.276 -11.299
   91   1HA   GLY  12          HA2       GLY  12   2.653   1.522 -12.844
   92   2HA   GLY  12          HA1       GLY  12   4.326   1.121 -13.213
   93    H    VAL  13           HN       VAL  13   4.890  -0.948 -12.988
   94    HA   VAL  13           HA       VAL  13   3.026  -2.830 -11.795
   95    HB   VAL  13           HB       VAL  13   5.663  -3.338 -13.191
   96   1HG1  VAL  13          HG11      VAL  13   3.493  -5.202 -12.250
   97   2HG1  VAL  13          HG12      VAL  13   5.210  -5.235 -11.846
   98   3HG1  VAL  13          HG13      VAL  13   4.679  -5.654 -13.474
   99   1HG2  VAL  13          HG21      VAL  13   2.820  -3.386 -14.192
  100   2HG2  VAL  13          HG22      VAL  13   4.193  -4.051 -15.079
  101   3HG2  VAL  13          HG23      VAL  13   4.126  -2.325 -14.720
  102    H    CYS  14           HN       CYS  14   3.592  -4.401 -10.199
  103    HA   CYS  14           HA       CYS  14   5.635  -3.440  -8.313
  104   1HB   CYS  14          HB2       CYS  14   3.412  -3.564  -7.345
  105   2HB   CYS  14          HB1       CYS  14   3.257  -5.251  -7.846
  106    H    PHE  15           HN       PHE  15   7.265  -4.697  -7.593
  107    HA   PHE  15           HA       PHE  15   7.479  -7.413  -8.701
  108   1HB   PHE  15          HB2       PHE  15   9.730  -5.430  -8.289
  109   2HB   PHE  15          HB1       PHE  15   9.925  -7.094  -8.836
  110    HD1  PHE  15           HD1      PHE  15   7.843  -4.126  -9.791
  111    HD2  PHE  15           HD2      PHE  15  10.329  -7.338 -11.066
  112    HE1  PHE  15           HE1      PHE  15   7.580  -3.396 -12.123
  113    HE2  PHE  15           HE2      PHE  15  10.072  -6.610 -13.405
  114    HZ   PHE  15           HZ       PHE  15   8.696  -4.636 -13.934
  115    H    THR  16           HN       THR  16   8.363  -5.281  -5.987
  116    HA   THR  16           HA       THR  16   8.585  -7.686  -4.299
  117    HB   THR  16           HB       THR  16  10.411  -6.612  -3.046
  118    HG1  THR  16           HG1      THR  16  10.626  -4.679  -5.079
  119   1HG2  THR  16          HG21      THR  16  11.576  -6.307  -5.688
  120   2HG2  THR  16          HG22      THR  16  10.662  -7.803  -5.504
  121   3HG2  THR  16          HG23      THR  16  11.980  -7.429  -4.392
  122    H    ASN  17           HN       ASN  17   7.886  -7.512  -2.163
  123    HA   ASN  17           HA       ASN  17   5.642  -5.988  -1.634
  124   1HB   ASN  17          HB2       ASN  17   7.576  -7.207   0.344
  125   2HB   ASN  17          HB1       ASN  17   5.925  -6.713   0.702
  126   1HD2  ASN  17          HD21      ASN  17   4.580  -8.347   0.797
  127   2HD2  ASN  17          HD22      ASN  17   4.657  -9.788  -0.152
  128    H    ALA  18           HN       ALA  18   8.939  -4.964  -1.391
  129    HA   ALA  18           HA       ALA  18   8.684  -3.020   0.632
  130   1HB   ALA  18          HB1       ALA  18  10.820  -3.963  -0.266
  131   2HB   ALA  18          HB2       ALA  18  10.802  -2.211  -0.070
  132   3HB   ALA  18          HB3       ALA  18  10.614  -2.921  -1.674
  133    H    SER  19           HN       SER  19   7.921  -2.878  -2.810
  134    HA   SER  19           HA       SER  19   7.939  -0.144  -3.242
  135   1HB   SER  19          HB2       SER  19   6.408  -0.496  -5.056
  136   2HB   SER  19          HB1       SER  19   7.442  -1.923  -4.962
  137    HG   SER  19           HG       SER  19   4.833  -1.892  -4.953
  138    H    CYS  20           HN       CYS  20   4.978  -1.974  -2.443
  139    HA   CYS  20           HA       CYS  20   3.346   0.188  -1.884
  140   1HB   CYS  20          HB2       CYS  20   3.292  -2.607  -0.771
  141   2HB   CYS  20          HB1       CYS  20   2.000  -1.436  -0.526
  142    H    ASP  21           HN       ASP  21   5.430  -1.609   0.402
  143    HA   ASP  21           HA       ASP  21   4.579  -0.394   2.748
  144   1HB   ASP  21          HB2       ASP  21   6.098  -2.297   2.731
  145   2HB   ASP  21          HB1       ASP  21   7.367  -1.316   2.011
  146    H    ASP  22           HN       ASP  22   7.581   0.544   1.050
  147    HA   ASP  22           HA       ASP  22   8.064   2.981   2.269
  148   1HB   ASP  22          HB2       ASP  22   9.634   2.006   0.685
  149   2HB   ASP  22          HB1       ASP  22   8.482   2.183  -0.628
  150    H    HIS  23           HN       HIS  23   6.311   2.399  -0.708
  151    HA   HIS  23           HA       HIS  23   5.310   4.858  -1.348
  152   1HB   HIS  23          HB2       HIS  23   4.987   2.952  -2.769
  153   2HB   HIS  23          HB1       HIS  23   4.112   2.091  -1.527
  154    HD1  HIS  23           HD1      HIS  23   3.412   5.562  -2.893
  155    HD2  HIS  23           HD2      HIS  23   1.708   1.820  -2.678
  156    HE1  HIS  23           HE1      HIS  23   1.038   5.852  -3.692
  157    HE2  HIS  23           HE2      HIS  23   0.011   3.569  -3.511
  158    H    CYS  24           HN       CYS  24   3.610   2.441   0.643
  159    HA   CYS  24           HA       CYS  24   1.514   4.094   1.473
  160   1HB   CYS  24          HB2       CYS  24   2.772   1.647   2.680
  161   2HB   CYS  24          HB1       CYS  24   1.450   2.481   3.491
  162    H    LYS  25           HN       LYS  25   4.554   3.368   3.211
  163    HA   LYS  25           HA       LYS  25   4.068   4.980   5.435
  164   1HB   LYS  25          HB2       LYS  25   6.697   4.259   4.143
  165   2HB   LYS  25          HB1       LYS  25   6.540   4.993   5.735
  166   1HG   LYS  25          HG2       LYS  25   5.225   3.036   6.468
  167   2HG   LYS  25          HG1       LYS  25   5.497   2.296   4.888
  168   1HD   LYS  25          HD2       LYS  25   7.904   2.321   5.270
  169   2HD   LYS  25          HD1       LYS  25   7.663   3.111   6.829
  170   1HE   LYS  25          HE2       LYS  25   6.612   0.385   6.077
  171   2HE   LYS  25          HE1       LYS  25   8.064   0.683   7.032
  172   1HZ   LYS  25          HZ1       LYS  25   5.905   2.102   8.160
  173   2HZ   LYS  25          HZ2       LYS  25   6.811   0.852   8.842
  174   3HZ   LYS  25          HZ3       LYS  25   5.417   0.486   7.938
  175    H    ASN  26           HN       ASN  26   5.551   5.843   2.334
  176    HA   ASN  26           HA       ASN  26   6.017   8.558   3.219
  177   1HB   ASN  26          HB2       ASN  26   6.583   7.081   0.664
  178   2HB   ASN  26          HB1       ASN  26   6.855   8.803   0.809
  179   1HD2  ASN  26          HD21      ASN  26   8.420   6.149   0.717
  180   2HD2  ASN  26          HD22      ASN  26   9.693   6.473   1.835
  181    H    LYS  27           HN       LYS  27   3.687   6.928   1.087
  182    HA   LYS  27           HA       LYS  27   2.587   9.448   0.183
  183   1HB   LYS  27          HB2       LYS  27   1.662   6.599  -0.180
  184   2HB   LYS  27          HB1       LYS  27   0.798   7.982  -0.838
  185   1HG   LYS  27          HG2       LYS  27   3.626   7.186  -1.495
  186   2HG   LYS  27          HG1       LYS  27   2.202   6.922  -2.511
  187   1HD   LYS  27          HD2       LYS  27   1.866   9.391  -2.563
  188   2HD   LYS  27          HD1       LYS  27   3.383   9.577  -1.677
  189   1HE   LYS  27          HE2       LYS  27   4.547   8.400  -3.521
  190   2HE   LYS  27          HE1       LYS  27   3.026   8.353  -4.414
  191   1HZ   LYS  27          HZ1       LYS  27   3.951  10.247  -5.264
  192   2HZ   LYS  27          HZ2       LYS  27   4.767  10.641  -3.836
  193   3HZ   LYS  27          HZ3       LYS  27   3.103  10.924  -3.963
  194    H    ALA  28           HN       ALA  28   1.349   6.800   2.235
  195    HA   ALA  28           HA       ALA  28  -0.387   8.774   3.557
  196   1HB   ALA  28          HB1       ALA  28  -1.165   5.964   2.778
  197   2HB   ALA  28          HB2       ALA  28  -1.773   7.458   2.064
  198   3HB   ALA  28          HB3       ALA  28  -2.147   7.068   3.743
  199    H    HIS  29           HN       HIS  29   1.250   8.908   5.082
  200    HA   HIS  29           HA       HIS  29   2.760   7.413   6.538
  201   1HB   HIS  29          HB2       HIS  29   2.322   9.795   6.976
  202   2HB   HIS  29          HB1       HIS  29   0.824   9.360   7.796
  203    HD1  HIS  29           HD1      HIS  29   4.469   8.311   8.140
  204    HD2  HIS  29           HD2      HIS  29   1.190   9.378  10.456
  205    HE1  HIS  29           HE1      HIS  29   5.275   8.230  10.524
  206    HE2  HIS  29           HE2      HIS  29   3.310   9.014  11.895
  207    H    LEU  30           HN       LEU  30   1.832   5.315   6.318
  208    HA   LEU  30           HA       LEU  30   0.185   4.551   8.643
  209   1HB   LEU  30          HB2       LEU  30   0.030   3.681   5.817
  210   2HB   LEU  30          HB1       LEU  30  -0.211   2.442   7.031
  211    HG   LEU  30           HG       LEU  30  -2.110   3.621   7.945
  212   1HD1  LEU  30          HD11      LEU  30  -2.901   5.696   7.224
  213   2HD1  LEU  30          HD12      LEU  30  -1.844   5.714   5.815
  214   3HD1  LEU  30          HD13      LEU  30  -1.168   5.924   7.429
  215   1HD2  LEU  30          HD21      LEU  30  -2.381   3.628   4.953
  216   2HD2  LEU  30          HD22      LEU  30  -3.640   3.350   6.154
  217   3HD2  LEU  30          HD23      LEU  30  -2.361   2.158   5.928
  218    H    ILE  31           HN       ILE  31   0.450   2.021   8.958
  219    HA   ILE  31           HA       ILE  31   3.145   1.658   9.798
  220    HB   ILE  31           HB       ILE  31   2.384  -0.485  10.699
  221   1HG1  ILE  31          HG12      ILE  31  -0.255   0.270   9.449
  222   2HG1  ILE  31          HG11      ILE  31   0.771  -1.095   9.015
  223   1HG2  ILE  31          HG21      ILE  31   0.761   1.964  11.291
  224   2HG2  ILE  31          HG22      ILE  31   2.176   1.360  12.151
  225   3HG2  ILE  31          HG23      ILE  31   0.643   0.493  12.256
  226   1HD1  ILE  31          HD11      ILE  31  -0.683  -2.191  10.350
  227   2HD1  ILE  31          HD12      ILE  31  -1.073  -0.751  11.288
  228   3HD1  ILE  31          HD13      ILE  31   0.421  -1.631  11.605
  229    H    SER  32           HN       SER  32   1.123  -0.020   7.379
  230    HA   SER  32           HA       SER  32   3.481  -0.654   5.851
  231   1HB   SER  32          HB2       SER  32   3.238  -3.095   5.948
  232   2HB   SER  32          HB1       SER  32   3.565  -2.419   7.545
  233    HG   SER  32           HG       SER  32   1.434  -3.852   6.711
  234    H    GLY  33           HN       GLY  33   3.019  -1.941   3.900
  235   1HA   GLY  33          HA2       GLY  33   0.269  -2.092   2.979
  236   2HA   GLY  33          HA1       GLY  33   1.255  -0.881   2.168
  237    H    THR  34           HN       THR  34   0.010  -3.529   1.304
  238    HA   THR  34           HA       THR  34   2.480  -4.697   0.181
  239    HB   THR  34           HB       THR  34  -0.014  -6.135   1.100
  240    HG1  THR  34           HG1      THR  34   1.182  -6.016   2.855
  241   1HG2  THR  34          HG21      THR  34   0.724  -7.309  -0.841
  242   2HG2  THR  34          HG22      THR  34   1.240  -8.214   0.582
  243   3HG2  THR  34          HG23      THR  34   2.404  -7.235  -0.308
  244    H    CYS  35           HN       CYS  35   2.189  -5.867  -1.876
  245    HA   CYS  35           HA       CYS  35   0.571  -4.310  -3.694
  246   1HB   CYS  35          HB2       CYS  35   2.541  -6.552  -4.162
  247   2HB   CYS  35          HB1       CYS  35   1.666  -5.738  -5.458
  248    H    HIS  36           HN       HIS  36  -1.355  -4.809  -4.444
  249    HA   HIS  36           HA       HIS  36  -2.241  -7.631  -4.452
  250   1HB   HIS  36          HB2       HIS  36  -3.890  -5.216  -3.675
  251   2HB   HIS  36          HB1       HIS  36  -4.536  -6.831  -3.913
  252    HD1  HIS  36           HD1      HIS  36  -3.322  -8.685  -2.222
  253    HD2  HIS  36           HD2      HIS  36  -3.268  -4.688  -1.131
  254    HE1  HIS  36           HE1      HIS  36  -2.961  -8.676   0.266
  255    HE2  HIS  36           HE2      HIS  36  -3.155  -6.252   0.932
  256    H    ASN  37           HN       ASN  37  -2.810  -8.261  -6.474
  257    HA   ASN  37           HA       ASN  37  -3.292  -8.148  -8.718
  258   1HB   ASN  37          HB2       ASN  37  -5.005  -5.819  -7.806
  259   2HB   ASN  37          HB1       ASN  37  -5.180  -6.689  -9.330
  260   1HD2  ASN  37          HD21      ASN  37  -6.367  -6.395  -6.294
  261   2HD2  ASN  37          HD22      ASN  37  -7.098  -7.947  -6.116
  262    H    TRP  38           HN       TRP  38  -0.966  -6.706  -7.792
  263    HA   TRP  38           HA       TRP  38   0.692  -5.459  -8.719
  264   1HB   TRP  38          HB2       TRP  38  -1.276  -4.726 -10.895
  265   2HB   TRP  38          HB1       TRP  38   0.467  -4.516 -10.948
  266    HD1  TRP  38           HD1      TRP  38  -2.220  -6.959 -11.648
  267    HE1  TRP  38           HE1      TRP  38  -1.224  -9.185 -12.489
  268    HE3  TRP  38           HE3      TRP  38   2.685  -6.094 -10.552
  269    HZ2  TRP  38           HZ2      TRP  38   1.315 -10.403 -12.648
  270    HZ3  TRP  38           HZ3      TRP  38   4.341  -7.838 -11.070
  271    HH2  TRP  38           HH2      TRP  38   3.668  -9.950 -12.097
  272    H    LYS  39           HN       LYS  39  -1.948  -4.370  -7.228
  273    HA   LYS  39           HA       LYS  39  -1.244  -1.516  -7.473
  274   1HB   LYS  39          HB2       LYS  39  -3.773  -2.777  -6.378
  275   2HB   LYS  39          HB1       LYS  39  -3.471  -1.051  -6.547
  276   1HG   LYS  39          HG2       LYS  39  -3.366  -1.284  -8.963
  277   2HG   LYS  39          HG1       LYS  39  -3.609  -3.026  -8.818
  278   1HD   LYS  39          HD2       LYS  39  -5.807  -2.609  -7.778
  279   2HD   LYS  39          HD1       LYS  39  -5.562  -0.874  -7.995
  280   1HE   LYS  39          HE2       LYS  39  -5.441  -1.186 -10.414
  281   2HE   LYS  39          HE1       LYS  39  -5.652  -2.925 -10.207
  282   1HZ   LYS  39          HZ1       LYS  39  -7.758  -1.661  -8.873
  283   2HZ   LYS  39          HZ2       LYS  39  -7.838  -2.607 -10.271
  284   3HZ   LYS  39          HZ3       LYS  39  -7.635  -0.934 -10.395
  285    H    CYS  40           HN       CYS  40  -1.795  -0.340  -5.209
  286    HA   CYS  40           HA       CYS  40  -0.501  -1.963  -3.127
  287   1HB   CYS  40          HB2       CYS  40  -0.102   0.909  -3.876
  288   2HB   CYS  40          HB1       CYS  40   0.223   0.352  -2.237
  289    H    PHE  41           HN       PHE  41  -1.379  -2.164  -1.234
  290    HA   PHE  41           HA       PHE  41  -3.697  -0.476  -0.548
  291   1HB   PHE  41          HB2       PHE  41  -3.233  -3.400   0.106
  292   2HB   PHE  41          HB1       PHE  41  -4.561  -2.429   0.737
  293    HD1  PHE  41           HD1      PHE  41  -3.156  -2.664  -2.723
  294    HD2  PHE  41           HD2      PHE  41  -6.494  -3.298  -0.155
  295    HE1  PHE  41           HE1      PHE  41  -4.524  -3.260  -4.665
  296    HE2  PHE  41           HE2      PHE  41  -7.874  -3.900  -2.098
  297    HZ   PHE  41           HZ       PHE  41  -6.893  -3.869  -4.362
  298    H    CYS  42           HN       CYS  42  -3.559   0.588   1.337
  299    HA   CYS  42           HA       CYS  42  -1.263  -0.020   3.074
  300   1HB   CYS  42          HB2       CYS  42  -2.894   2.525   2.845
  301   2HB   CYS  42          HB1       CYS  42  -1.447   2.299   3.814
  302    H    THR  43           HN       THR  43  -1.605  -0.468   5.229
  303    HA   THR  43           HA       THR  43  -4.424  -0.703   6.067
  304    HB   THR  43           HB       THR  43  -3.313  -2.840   6.055
  305    HG1  THR  43           HG1      THR  43  -3.225  -2.283   8.785
  306   1HG2  THR  43          HG21      THR  43  -1.106  -1.389   7.363
  307   2HG2  THR  43          HG22      THR  43  -1.073  -2.761   6.257
  308   3HG2  THR  43          HG23      THR  43  -1.444  -3.011   7.962
  309    H    GLN  44           HN       GLN  44  -5.187   0.311   7.789
  310    HA   GLN  44           HA       GLN  44  -3.303   1.720   9.571
  311   1HB   GLN  44          HB2       GLN  44  -4.259   3.291   7.917
  312   2HB   GLN  44          HB1       GLN  44  -5.875   2.839   8.433
  313   1HG   GLN  44          HG2       GLN  44  -5.393   3.722  10.672
  314   2HG   GLN  44          HG1       GLN  44  -3.791   4.208  10.120
  315   1HE2  GLN  44          HE21      GLN  44  -3.611   6.238   9.511
  316   2HE2  GLN  44          HE22      GLN  44  -4.890   7.244   8.937
  317    H    ASN  45           HN       ASN  45  -3.881   1.833  11.722
  318    HA   ASN  45           HA       ASN  45  -5.659  -0.120  12.740
  319   1HB   ASN  45          HB2       ASN  45  -4.444   2.270  14.163
  320   2HB   ASN  45          HB1       ASN  45  -5.131   0.840  14.929
  321   1HD2  ASN  45          HD21      ASN  45  -2.326   2.278  14.040
  322   2HD2  ASN  45          HD22      ASN  45  -1.303   0.890  13.966
  323    H    CYS  46           HN       CYS  46  -7.796   0.016  13.275
  324    HA   CYS  46           HA       CYS  46  -9.066   2.585  13.697
  325   1HB   CYS  46          HB2       CYS  46 -10.777   2.235  11.944
  326   2HB   CYS  46          HB1       CYS  46  -9.157   2.458  11.282
  Start of MODEL    3
    1   1H    LYS   1          HT1       LYS   1  -9.617  -5.856  15.247
    2   2H    LYS   1          HT2       LYS   1  -9.752  -4.173  15.126
    3   3H    LYS   1          HT3       LYS   1  -8.226  -4.892  15.237
    4    HA   LYS   1           HA       LYS   1  -8.566  -5.989  13.096
    5   1HB   LYS   1          HB2       LYS   1 -11.124  -4.359  13.129
    6   2HB   LYS   1          HB1       LYS   1 -10.513  -5.225  11.728
    7   1HG   LYS   1          HG2       LYS   1 -10.748  -7.344  12.929
    8   2HG   LYS   1          HG1       LYS   1 -11.370  -6.473  14.336
    9   1HD   LYS   1          HD2       LYS   1 -13.265  -5.676  13.035
   10   2HD   LYS   1          HD1       LYS   1 -12.626  -6.455  11.589
   11   1HE   LYS   1          HE2       LYS   1 -14.411  -7.787  12.546
   12   2HE   LYS   1          HE1       LYS   1 -12.876  -8.646  12.666
   13   1HZ   LYS   1          HZ1       LYS   1 -14.426  -8.603  14.699
   14   2HZ   LYS   1          HZ2       LYS   1 -13.870  -7.021  14.927
   15   3HZ   LYS   1          HZ3       LYS   1 -12.777  -8.312  14.949
   16    H    THR   2           HN       THR   2  -8.622  -4.625  10.896
   17    HA   THR   2           HA       THR   2  -7.729  -1.876  11.335
   18    HB   THR   2           HB       THR   2  -5.710  -2.200   9.950
   19    HG1  THR   2           HG1      THR   2  -5.989  -4.979  10.260
   20   1HG2  THR   2          HG21      THR   2  -4.400  -2.711  11.674
   21   2HG2  THR   2          HG22      THR   2  -5.184  -4.267  11.941
   22   3HG2  THR   2          HG23      THR   2  -5.905  -2.797  12.593
   23    H    CYS   3           HN       CYS   3  -7.554  -0.633   9.329
   24    HA   CYS   3           HA       CYS   3  -9.433  -1.657   7.297
   25   1HB   CYS   3          HB2       CYS   3  -8.760   1.196   8.045
   26   2HB   CYS   3          HB1       CYS   3  -9.875   0.724   6.767
   27    H    GLU   4           HN       GLU   4  -8.717  -2.021   5.298
   28    HA   GLU   4           HA       GLU   4  -6.106  -0.896   4.525
   29   1HB   GLU   4          HB2       GLU   4  -7.442  -3.434   3.572
   30   2HB   GLU   4          HB1       GLU   4  -5.943  -2.792   2.919
   31   1HG   GLU   4          HG2       GLU   4  -4.973  -2.979   5.222
   32   2HG   GLU   4          HG1       GLU   4  -6.437  -3.832   5.694
   33    H    HIS   5           HN       HIS   5  -5.871   0.197   2.645
   34    HA   HIS   5           HA       HIS   5  -8.076   0.277   0.731
   35   1HB   HIS   5          HB2       HIS   5  -6.998   2.758   2.090
   36   2HB   HIS   5          HB1       HIS   5  -8.084   2.763   0.707
   37    HD1  HIS   5           HD1      HIS   5 -10.320   1.038   1.381
   38    HD2  HIS   5           HD2      HIS   5  -8.420   3.285   4.308
   39    HE1  HIS   5           HE1      HIS   5 -12.002   1.277   3.237
   40    HE2  HIS   5           HE2      HIS   5 -10.873   2.752   4.940
   41    H    LEU   6           HN       LEU   6  -7.483   0.826  -1.342
   42    HA   LEU   6           HA       LEU   6  -4.634   0.727  -1.935
   43   1HB   LEU   6          HB2       LEU   6  -6.100  -0.718  -3.193
   44   2HB   LEU   6          HB1       LEU   6  -7.111   0.637  -3.667
   45    HG   LEU   6           HG       LEU   6  -4.267   0.163  -4.583
   46   1HD1  LEU   6          HD11      LEU   6  -6.150   0.092  -6.682
   47   2HD1  LEU   6          HD12      LEU   6  -6.762  -0.954  -5.402
   48   3HD1  LEU   6          HD13      LEU   6  -5.154  -1.227  -6.069
   49   1HD2  LEU   6          HD21      LEU   6  -5.400   1.877  -6.357
   50   2HD2  LEU   6          HD22      LEU   6  -4.383   2.377  -5.009
   51   3HD2  LEU   6          HD23      LEU   6  -6.138   2.420  -4.852
   52    H    ALA   7           HN       ALA   7  -3.440   2.441  -2.544
   53    HA   ALA   7           HA       ALA   7  -4.712   5.057  -2.545
   54   1HB   ALA   7          HB1       ALA   7  -1.827   4.205  -2.479
   55   2HB   ALA   7          HB2       ALA   7  -2.792   4.870  -1.161
   56   3HB   ALA   7          HB3       ALA   7  -2.346   5.889  -2.530
   57    H    ASP   8           HN       ASP   8  -5.183   6.202  -4.290
   58    HA   ASP   8           HA       ASP   8  -4.687   5.273  -6.931
   59   1HB   ASP   8          HB2       ASP   8  -5.761   7.877  -5.861
   60   2HB   ASP   8          HB1       ASP   8  -5.638   7.527  -7.581
   61    H    THR   9           HN       THR   9  -2.693   7.007  -4.818
   62    HA   THR   9           HA       THR   9  -1.266   8.264  -7.052
   63    HB   THR   9           HB       THR   9  -0.967   8.775  -4.081
   64    HG1  THR   9           HG1      THR   9  -2.413  10.154  -6.091
   65   1HG2  THR   9          HG21      THR   9   0.981   9.601  -4.905
   66   2HG2  THR   9          HG22      THR   9  -0.066  11.003  -5.097
   67   3HG2  THR   9          HG23      THR   9   0.304   9.976  -6.485
   68    H    TYR  10           HN       TYR  10  -0.877   5.763  -7.242
   69    HA   TYR  10           HA       TYR  10   1.636   5.067  -5.883
   70   1HB   TYR  10          HB2       TYR  10  -0.069   3.406  -5.480
   71   2HB   TYR  10          HB1       TYR  10  -0.471   3.325  -7.182
   72    HD1  TYR  10           HD1      TYR  10   2.788   3.091  -5.340
   73    HD2  TYR  10           HD2      TYR  10   0.024   1.246  -7.993
   74    HE1  TYR  10           HE1      TYR  10   4.334   1.197  -5.630
   75    HE2  TYR  10           HE2      TYR  10   1.563  -0.647  -8.290
   76    HH   TYR  10           HH       TYR  10   4.814  -0.592  -7.101
   77    H    ARG  11           HN       ARG  11   3.326   4.156  -7.168
   78    HA   ARG  11           HA       ARG  11   3.313   5.161  -9.914
   79   1HB   ARG  11          HB2       ARG  11   5.873   5.073  -9.540
   80   2HB   ARG  11          HB1       ARG  11   4.926   6.374  -8.830
   81   1HG   ARG  11          HG2       ARG  11   4.899   5.199  -6.695
   82   2HG   ARG  11          HG1       ARG  11   5.840   3.882  -7.402
   83   1HD   ARG  11          HD2       ARG  11   7.228   5.456  -6.115
   84   2HD   ARG  11          HD1       ARG  11   7.689   5.373  -7.817
   85    HE   ARG  11           HE       ARG  11   5.877   7.476  -7.523
   86   1HH1  ARG  11          HH11      ARG  11   9.067   6.661  -6.420
   87   2HH1  ARG  11          HH12      ARG  11   9.632   8.295  -6.450
   88   1HH2  ARG  11          HH21      ARG  11   6.615   9.620  -7.576
   89   2HH2  ARG  11          HH22      ARG  11   8.239   9.973  -7.102
   90    H    GLY  12           HN       GLY  12   3.392   3.807 -11.534
   91   1HA   GLY  12          HA2       GLY  12   3.681   1.909 -12.785
   92   2HA   GLY  12          HA1       GLY  12   5.136   1.661 -11.830
   93    H    VAL  13           HN       VAL  13   4.520  -0.600 -12.304
   94    HA   VAL  13           HA       VAL  13   2.347  -1.676 -10.674
   95    HB   VAL  13           HB       VAL  13   4.250  -3.094 -12.556
   96   1HG1  VAL  13          HG11      VAL  13   1.955  -4.022 -10.890
   97   2HG1  VAL  13          HG12      VAL  13   3.514  -4.794 -11.190
   98   3HG1  VAL  13          HG13      VAL  13   2.273  -4.791 -12.443
   99   1HG2  VAL  13          HG21      VAL  13   1.367  -2.726 -13.173
  100   2HG2  VAL  13          HG22      VAL  13   2.752  -2.835 -14.257
  101   3HG2  VAL  13          HG23      VAL  13   2.438  -1.340 -13.378
  102    H    CYS  14           HN       CYS  14   2.737  -3.395  -9.100
  103    HA   CYS  14           HA       CYS  14   5.301  -2.996  -7.739
  104   1HB   CYS  14          HB2       CYS  14   3.454  -2.840  -6.238
  105   2HB   CYS  14          HB1       CYS  14   2.774  -4.365  -6.818
  106    H    PHE  15           HN       PHE  15   6.816  -4.500  -7.403
  107    HA   PHE  15           HA       PHE  15   6.381  -7.154  -8.594
  108   1HB   PHE  15          HB2       PHE  15   8.964  -5.577  -8.500
  109   2HB   PHE  15          HB1       PHE  15   8.793  -7.215  -9.130
  110    HD1  PHE  15           HD1      PHE  15   8.656  -7.427 -11.400
  111    HD2  PHE  15           HD2      PHE  15   7.197  -3.862  -9.592
  112    HE1  PHE  15           HE1      PHE  15   8.132  -6.514 -13.625
  113    HE2  PHE  15           HE2      PHE  15   6.666  -2.947 -11.809
  114    HZ   PHE  15           HZ       PHE  15   7.133  -4.273 -13.831
  115    H    THR  16           HN       THR  16   7.823  -5.340  -5.930
  116    HA   THR  16           HA       THR  16   8.037  -7.857  -4.417
  117    HB   THR  16           HB       THR  16  10.066  -7.047  -3.326
  118    HG1  THR  16           HG1      THR  16  10.096  -4.880  -5.141
  119   1HG2  THR  16          HG21      THR  16  10.876  -6.517  -6.091
  120   2HG2  THR  16          HG22      THR  16  10.016  -8.035  -5.836
  121   3HG2  THR  16          HG23      THR  16  11.489  -7.689  -4.928
  122    H    ASN  17           HN       ASN  17   7.492  -7.767  -2.242
  123    HA   ASN  17           HA       ASN  17   5.442  -6.211  -1.385
  124   1HB   ASN  17          HB2       ASN  17   7.652  -7.375   0.325
  125   2HB   ASN  17          HB1       ASN  17   6.077  -6.857   0.917
  126   1HD2  ASN  17          HD21      ASN  17   4.756  -8.482   1.271
  127   2HD2  ASN  17          HD22      ASN  17   4.689  -9.955   0.371
  128    H    ALA  18           HN       ALA  18   8.875  -5.411  -1.098
  129    HA   ALA  18           HA       ALA  18   8.683  -3.241   0.649
  130   1HB   ALA  18          HB1       ALA  18  10.892  -3.184   0.417
  131   2HB   ALA  18          HB2       ALA  18  10.785  -2.907  -1.322
  132   3HB   ALA  18          HB3       ALA  18  10.716  -4.549  -0.685
  133    H    SER  19           HN       SER  19   7.855  -3.392  -2.747
  134    HA   SER  19           HA       SER  19   8.207  -0.669  -3.390
  135   1HB   SER  19          HB2       SER  19   7.857  -2.413  -5.097
  136   2HB   SER  19          HB1       SER  19   6.189  -2.600  -4.556
  137    HG   SER  19           HG       SER  19   7.341  -0.227  -5.632
  138    H    CYS  20           HN       CYS  20   5.370  -2.368  -2.051
  139    HA   CYS  20           HA       CYS  20   3.785   0.041  -2.030
  140   1HB   CYS  20          HB2       CYS  20   3.306  -2.710  -0.923
  141   2HB   CYS  20          HB1       CYS  20   2.156  -1.394  -0.738
  142    H    ASP  21           HN       ASP  21   5.544  -1.878   0.383
  143    HA   ASP  21           HA       ASP  21   4.659  -0.673   2.711
  144   1HB   ASP  21          HB2       ASP  21   6.246  -2.598   2.643
  145   2HB   ASP  21          HB1       ASP  21   7.527  -1.498   2.141
  146    H    ASP  22           HN       ASP  22   7.715   0.234   1.092
  147    HA   ASP  22           HA       ASP  22   8.215   2.639   2.351
  148   1HB   ASP  22          HB2       ASP  22   9.759   1.551   0.754
  149   2HB   ASP  22          HB1       ASP  22   8.682   1.963  -0.572
  150    H    HIS  23           HN       HIS  23   6.496   2.126  -0.673
  151    HA   HIS  23           HA       HIS  23   5.608   4.636  -1.312
  152   1HB   HIS  23          HB2       HIS  23   5.276   2.753  -2.762
  153   2HB   HIS  23          HB1       HIS  23   4.290   1.932  -1.578
  154    HD1  HIS  23           HD1      HIS  23   3.910   5.443  -2.944
  155    HD2  HIS  23           HD2      HIS  23   1.905   1.846  -2.801
  156    HE1  HIS  23           HE1      HIS  23   1.639   5.886  -3.932
  157    HE2  HIS  23           HE2      HIS  23   0.382   3.742  -3.648
  158    H    CYS  24           HN       CYS  24   3.704   2.268   0.557
  159    HA   CYS  24           HA       CYS  24   1.647   3.995   1.296
  160   1HB   CYS  24          HB2       CYS  24   2.763   1.516   2.556
  161   2HB   CYS  24          HB1       CYS  24   1.463   2.410   3.339
  162    H    LYS  25           HN       LYS  25   4.529   3.151   3.251
  163    HA   LYS  25           HA       LYS  25   3.974   4.828   5.405
  164   1HB   LYS  25          HB2       LYS  25   6.610   3.852   4.313
  165   2HB   LYS  25          HB1       LYS  25   6.473   4.752   5.818
  166   1HG   LYS  25          HG2       LYS  25   5.088   3.011   6.776
  167   2HG   LYS  25          HG1       LYS  25   5.098   2.130   5.247
  168   1HD   LYS  25          HD2       LYS  25   7.477   1.754   5.425
  169   2HD   LYS  25          HD1       LYS  25   7.562   2.755   6.876
  170   1HE   LYS  25          HE2       LYS  25   6.361   1.181   8.156
  171   2HE   LYS  25          HE1       LYS  25   5.835   0.297   6.725
  172   1HZ   LYS  25          HZ1       LYS  25   8.013  -0.536   6.379
  173   2HZ   LYS  25          HZ2       LYS  25   7.678  -0.767   8.024
  174   3HZ   LYS  25          HZ3       LYS  25   8.686   0.504   7.540
  175    H    ASN  26           HN       ASN  26   5.718   5.594   2.414
  176    HA   ASN  26           HA       ASN  26   6.270   8.286   3.320
  177   1HB   ASN  26          HB2       ASN  26   6.894   6.770   0.804
  178   2HB   ASN  26          HB1       ASN  26   7.221   8.483   0.939
  179   1HD2  ASN  26          HD21      ASN  26   8.710   5.803   0.918
  180   2HD2  ASN  26          HD22      ASN  26   9.935   6.085   2.100
  181    H    LYS  27           HN       LYS  27   3.946   6.779   1.108
  182    HA   LYS  27           HA       LYS  27   3.056   9.368   0.140
  183   1HB   LYS  27          HB2       LYS  27   2.034   6.571  -0.346
  184   2HB   LYS  27          HB1       LYS  27   1.279   8.004  -1.032
  185   1HG   LYS  27          HG2       LYS  27   4.116   7.110  -1.501
  186   2HG   LYS  27          HG1       LYS  27   2.763   6.924  -2.626
  187   1HD   LYS  27          HD2       LYS  27   2.513   9.376  -2.692
  188   2HD   LYS  27          HD1       LYS  27   3.887   9.536  -1.596
  189   1HE   LYS  27          HE2       LYS  27   5.310   8.427  -3.287
  190   2HE   LYS  27          HE1       LYS  27   3.930   8.385  -4.387
  191   1HZ   LYS  27          HZ1       LYS  27   4.209  10.526  -4.917
  192   2HZ   LYS  27          HZ2       LYS  27   5.733  10.411  -4.191
  193   3HZ   LYS  27          HZ3       LYS  27   4.420  11.006  -3.304
  194    H    ALA  28           HN       ALA  28   1.586   6.774   2.094
  195    HA   ALA  28           HA       ALA  28  -0.207   8.811   3.223
  196   1HB   ALA  28          HB1       ALA  28  -1.032   5.946   2.811
  197   2HB   ALA  28          HB2       ALA  28  -1.324   7.205   1.610
  198   3HB   ALA  28          HB3       ALA  28  -2.044   7.334   3.215
  199    H    HIS  29           HN       HIS  29   1.294   9.046   4.848
  200    HA   HIS  29           HA       HIS  29   2.727   7.658   6.486
  201   1HB   HIS  29          HB2       HIS  29   2.178  10.054   6.769
  202   2HB   HIS  29          HB1       HIS  29   0.650   9.597   7.520
  203    HD1  HIS  29           HD1      HIS  29   4.337   8.849   8.129
  204    HD2  HIS  29           HD2      HIS  29   0.823   9.629  10.201
  205    HE1  HIS  29           HE1      HIS  29   4.982   8.862  10.561
  206    HE2  HIS  29           HE2      HIS  29   2.864   9.475  11.782
  207    H    LEU  30           HN       LEU  30   1.800   5.523   6.254
  208    HA   LEU  30           HA       LEU  30   0.006   4.835   8.492
  209   1HB   LEU  30          HB2       LEU  30   0.034   3.907   5.679
  210   2HB   LEU  30          HB1       LEU  30  -0.301   2.692   6.899
  211    HG   LEU  30           HG       LEU  30  -2.230   3.947   7.679
  212   1HD1  LEU  30          HD11      LEU  30  -2.962   5.979   6.776
  213   2HD1  LEU  30          HD12      LEU  30  -1.802   5.909   5.451
  214   3HD1  LEU  30          HD13      LEU  30  -1.246   6.207   7.096
  215   1HD2  LEU  30          HD21      LEU  30  -2.254   3.695   4.681
  216   2HD2  LEU  30          HD22      LEU  30  -3.652   3.666   5.755
  217   3HD2  LEU  30          HD23      LEU  30  -2.468   2.360   5.813
  218    H    ILE  31           HN       ILE  31   0.242   2.217   8.740
  219    HA   ILE  31           HA       ILE  31   2.908   1.891   9.761
  220    HB   ILE  31           HB       ILE  31   2.042  -0.190  10.750
  221   1HG1  ILE  31          HG12      ILE  31  -0.566   0.665   9.495
  222   2HG1  ILE  31          HG11      ILE  31   0.399  -0.737   9.041
  223   1HG2  ILE  31          HG21      ILE  31   0.788   2.465  11.223
  224   2HG2  ILE  31          HG22      ILE  31   1.883   1.537  12.247
  225   3HG2  ILE  31          HG23      ILE  31   0.187   1.069  12.120
  226   1HD1  ILE  31          HD11      ILE  31  -1.117  -1.751  10.379
  227   2HD1  ILE  31          HD12      ILE  31  -1.364  -0.317  11.375
  228   3HD1  ILE  31          HD13      ILE  31   0.072  -1.314  11.604
  229    H    SER  32           HN       SER  32   0.878   0.131   7.399
  230    HA   SER  32           HA       SER  32   3.334  -0.868   6.163
  231   1HB   SER  32          HB2       SER  32   2.782  -2.624   7.723
  232   2HB   SER  32          HB1       SER  32   1.116  -2.671   7.146
  233    HG   SER  32           HG       SER  32   1.727  -3.802   5.457
  234    H    GLY  33           HN       GLY  33   3.074  -1.804   4.065
  235   1HA   GLY  33          HA2       GLY  33   0.526  -1.322   2.686
  236   2HA   GLY  33          HA1       GLY  33   1.955  -0.479   2.093
  237    H    THR  34           HN       THR  34   0.120  -3.298   1.870
  238    HA   THR  34           HA       THR  34   2.348  -4.825   0.710
  239    HB   THR  34           HB       THR  34  -0.409  -5.722   1.576
  240    HG1  THR  34           HG1      THR  34   2.175  -6.131   2.678
  241   1HG2  THR  34          HG21      THR  34   0.137  -7.242  -0.119
  242   2HG2  THR  34          HG22      THR  34   0.627  -8.029   1.382
  243   3HG2  THR  34          HG23      THR  34   1.840  -7.279   0.344
  244    H    CYS  35           HN       CYS  35   1.999  -6.011  -1.278
  245    HA   CYS  35           HA       CYS  35   0.550  -4.389  -3.223
  246   1HB   CYS  35          HB2       CYS  35   2.480  -6.684  -3.641
  247   2HB   CYS  35          HB1       CYS  35   1.816  -5.652  -4.909
  248    H    HIS  36           HN       HIS  36  -1.119  -5.066  -4.455
  249    HA   HIS  36           HA       HIS  36  -2.063  -7.838  -4.126
  250   1HB   HIS  36          HB2       HIS  36  -3.705  -5.311  -3.938
  251   2HB   HIS  36          HB1       HIS  36  -4.419  -6.893  -4.221
  252    HD1  HIS  36           HD1      HIS  36  -3.550  -8.725  -2.263
  253    HD2  HIS  36           HD2      HIS  36  -3.663  -4.692  -1.327
  254    HE1  HIS  36           HE1      HIS  36  -3.646  -8.624   0.247
  255    HE2  HIS  36           HE2      HIS  36  -3.981  -6.180   0.769
  256    H    ASN  37           HN       ASN  37  -2.092  -8.812  -6.019
  257    HA   ASN  37           HA       ASN  37  -2.290  -9.258  -8.235
  258   1HB   ASN  37          HB2       ASN  37  -4.005  -6.759  -8.271
  259   2HB   ASN  37          HB1       ASN  37  -3.955  -7.995  -9.528
  260   1HD2  ASN  37          HD21      ASN  37  -5.600  -6.922  -6.885
  261   2HD2  ASN  37          HD22      ASN  37  -6.449  -8.368  -6.478
  262    H    TRP  38           HN       TRP  38  -2.421  -5.730  -8.405
  263    HA   TRP  38           HA       TRP  38   0.323  -5.542  -9.323
  264   1HB   TRP  38          HB2       TRP  38  -1.814  -4.448 -11.145
  265   2HB   TRP  38          HB1       TRP  38  -0.112  -4.648 -11.479
  266    HD1  TRP  38           HD1      TRP  38  -3.330  -6.622 -11.250
  267    HE1  TRP  38           HE1      TRP  38  -3.078  -8.832 -12.565
  268    HE3  TRP  38           HE3      TRP  38   1.644  -6.336 -12.325
  269    HZ2  TRP  38           HZ2      TRP  38  -1.024 -10.252 -13.869
  270    HZ3  TRP  38           HZ3      TRP  38   2.685  -8.159 -13.607
  271    HH2  TRP  38           HH2      TRP  38   1.377 -10.078 -14.361
  272    H    LYS  39           HN       LYS  39  -1.619  -4.433  -7.170
  273    HA   LYS  39           HA       LYS  39  -0.856  -1.614  -7.559
  274   1HB   LYS  39          HB2       LYS  39  -3.556  -2.605  -6.648
  275   2HB   LYS  39          HB1       LYS  39  -3.033  -0.932  -6.535
  276   1HG   LYS  39          HG2       LYS  39  -2.798  -0.832  -8.964
  277   2HG   LYS  39          HG1       LYS  39  -3.313  -2.517  -9.083
  278   1HD   LYS  39          HD2       LYS  39  -5.471  -1.936  -8.092
  279   2HD   LYS  39          HD1       LYS  39  -4.955  -0.257  -7.940
  280   1HE   LYS  39          HE2       LYS  39  -4.775  -0.080 -10.364
  281   2HE   LYS  39          HE1       LYS  39  -5.250  -1.772 -10.532
  282   1HZ   LYS  39          HZ1       LYS  39  -7.387  -1.206 -10.397
  283   2HZ   LYS  39          HZ2       LYS  39  -6.932   0.423 -10.455
  284   3HZ   LYS  39          HZ3       LYS  39  -7.147  -0.341  -8.961
  285    H    CYS  40           HN       CYS  40  -1.476  -0.360  -5.366
  286    HA   CYS  40           HA       CYS  40  -0.267  -1.907  -3.181
  287   1HB   CYS  40          HB2       CYS  40   0.101   0.967  -4.005
  288   2HB   CYS  40          HB1       CYS  40   0.452   0.420  -2.368
  289    H    PHE  41           HN       PHE  41  -1.377  -2.175  -1.416
  290    HA   PHE  41           HA       PHE  41  -3.613  -0.344  -0.833
  291   1HB   PHE  41          HB2       PHE  41  -3.351  -3.283  -0.138
  292   2HB   PHE  41          HB1       PHE  41  -4.667  -2.235   0.383
  293    HD1  PHE  41           HD1      PHE  41  -6.586  -2.967  -0.642
  294    HD2  PHE  41           HD2      PHE  41  -3.028  -2.659  -2.959
  295    HE1  PHE  41           HE1      PHE  41  -7.850  -3.569  -2.662
  296    HE2  PHE  41           HE2      PHE  41  -4.287  -3.253  -4.980
  297    HZ   PHE  41           HZ       PHE  41  -6.702  -3.708  -4.838
  298    H    CYS  42           HN       CYS  42  -3.553   0.658   1.110
  299    HA   CYS  42           HA       CYS  42  -1.284  -0.026   2.853
  300   1HB   CYS  42          HB2       CYS  42  -2.882   2.542   2.653
  301   2HB   CYS  42          HB1       CYS  42  -1.455   2.281   3.644
  302    H    THR  43           HN       THR  43  -1.612  -0.361   5.047
  303    HA   THR  43           HA       THR  43  -4.429  -0.670   5.867
  304    HB   THR  43           HB       THR  43  -3.155  -2.766   5.877
  305    HG1  THR  43           HG1      THR  43  -4.277  -3.251   7.568
  306   1HG2  THR  43          HG21      THR  43  -0.915  -1.807   6.345
  307   2HG2  THR  43          HG22      THR  43  -1.337  -3.190   7.354
  308   3HG2  THR  43          HG23      THR  43  -1.424  -1.557   8.014
  309    H    GLN  44           HN       GLN  44  -5.218   0.468   7.509
  310    HA   GLN  44           HA       GLN  44  -3.324   1.924   9.235
  311   1HB   GLN  44          HB2       GLN  44  -4.240   3.463   7.558
  312   2HB   GLN  44          HB1       GLN  44  -5.874   3.024   8.035
  313   1HG   GLN  44          HG2       GLN  44  -5.490   3.967  10.251
  314   2HG   GLN  44          HG1       GLN  44  -3.840   4.383   9.794
  315   1HE2  GLN  44          HE21      GLN  44  -6.735   5.688  10.298
  316   2HE2  GLN  44          HE22      GLN  44  -6.680   7.014   9.193
  317    H    ASN  45           HN       ASN  45  -3.901   2.196  11.360
  318    HA   ASN  45           HA       ASN  45  -5.542   0.254  12.547
  319   1HB   ASN  45          HB2       ASN  45  -4.574   2.875  13.725
  320   2HB   ASN  45          HB1       ASN  45  -5.161   1.486  14.634
  321   1HD2  ASN  45          HD21      ASN  45  -2.460   3.053  13.728
  322   2HD2  ASN  45          HD22      ASN  45  -1.327   1.752  13.790
  323    H    CYS  46           HN       CYS  46  -7.669   0.239  13.112
  324    HA   CYS  46           HA       CYS  46  -9.210   2.671  13.299
  325   1HB   CYS  46          HB2       CYS  46 -10.840   2.063  11.558
  326   2HB   CYS  46          HB1       CYS  46  -9.235   2.333  10.880
  Start of MODEL    4
    1   1H    LYS   1          HT1       LYS   1  -9.847  -3.082  15.126
    2   2H    LYS   1          HT2       LYS   1  -9.388  -4.600  15.715
    3   3H    LYS   1          HT3       LYS   1 -11.001  -4.307  15.299
    4    HA   LYS   1           HA       LYS   1  -9.086  -5.429  13.689
    5   1HB   LYS   1          HB2       LYS   1 -11.735  -4.108  13.029
    6   2HB   LYS   1          HB1       LYS   1 -10.873  -5.180  11.935
    7   1HG   LYS   1          HG2       LYS   1 -11.081  -7.003  13.561
    8   2HG   LYS   1          HG1       LYS   1 -11.962  -5.925  14.646
    9   1HD   LYS   1          HD2       LYS   1 -13.727  -5.664  12.985
   10   2HD   LYS   1          HD1       LYS   1 -12.835  -6.686  11.856
   11   1HE   LYS   1          HE2       LYS   1 -13.029  -8.570  13.406
   12   2HE   LYS   1          HE1       LYS   1 -13.911  -7.547  14.543
   13   1HZ   LYS   1          HZ1       LYS   1 -15.634  -7.246  12.835
   14   2HZ   LYS   1          HZ2       LYS   1 -15.451  -8.874  13.261
   15   3HZ   LYS   1          HZ3       LYS   1 -14.805  -8.302  11.805
   16    H    THR   2           HN       THR   2  -9.137  -4.528  11.145
   17    HA   THR   2           HA       THR   2  -8.327  -1.724  11.148
   18    HB   THR   2           HB       THR   2  -6.213  -2.766  11.525
   19    HG1  THR   2           HG1      THR   2  -5.298  -2.445   9.228
   20   1HG2  THR   2          HG21      THR   2  -5.519  -4.726  10.750
   21   2HG2  THR   2          HG22      THR   2  -6.007  -4.342   9.099
   22   3HG2  THR   2          HG23      THR   2  -7.187  -4.985  10.239
   23    H    CYS   3           HN       CYS   3  -7.876  -0.912   8.954
   24    HA   CYS   3           HA       CYS   3  -9.449  -2.302   6.884
   25   1HB   CYS   3          HB2       CYS   3 -10.228   0.064   6.213
   26   2HB   CYS   3          HB1       CYS   3 -10.964  -0.664   7.637
   27    H    GLU   4           HN       GLU   4  -8.621  -2.263   4.856
   28    HA   GLU   4           HA       GLU   4  -6.092  -0.801   4.499
   29   1HB   GLU   4          HB2       GLU   4  -7.077  -3.284   3.079
   30   2HB   GLU   4          HB1       GLU   4  -5.556  -2.468   2.754
   31   1HG   GLU   4          HG2       GLU   4  -4.833  -2.951   5.060
   32   2HG   GLU   4          HG1       GLU   4  -6.338  -3.830   5.321
   33    H    HIS   5           HN       HIS   5  -5.686   0.304   2.573
   34    HA   HIS   5           HA       HIS   5  -7.885   0.568   0.663
   35   1HB   HIS   5          HB2       HIS   5  -6.651   2.911   2.124
   36   2HB   HIS   5          HB1       HIS   5  -7.694   3.061   0.717
   37    HD1  HIS   5           HD1      HIS   5 -10.091   1.534   1.230
   38    HD2  HIS   5           HD2      HIS   5  -8.070   3.387   4.350
   39    HE1  HIS   5           HE1      HIS   5 -11.794   1.804   3.066
   40    HE2  HIS   5           HE2      HIS   5 -10.574   3.034   4.898
   41    H    LEU   6           HN       LEU   6  -7.270   1.037  -1.395
   42    HA   LEU   6           HA       LEU   6  -4.434   0.809  -1.990
   43   1HB   LEU   6          HB2       LEU   6  -5.980  -0.599  -3.198
   44   2HB   LEU   6          HB1       LEU   6  -6.907   0.795  -3.726
   45    HG   LEU   6           HG       LEU   6  -4.078   0.167  -4.581
   46   1HD1  LEU   6          HD11      LEU   6  -6.100   0.075  -6.626
   47   2HD1  LEU   6          HD12      LEU   6  -6.473  -1.058  -5.328
   48   3HD1  LEU   6          HD13      LEU   6  -4.921  -1.149  -6.157
   49   1HD2  LEU   6          HD21      LEU   6  -5.186   1.832  -6.442
   50   2HD2  LEU   6          HD22      LEU   6  -4.104   2.341  -5.147
   51   3HD2  LEU   6          HD23      LEU   6  -5.850   2.472  -4.940
   52    H    ALA   7           HN       ALA   7  -3.173   2.499  -2.424
   53    HA   ALA   7           HA       ALA   7  -4.315   5.150  -2.580
   54   1HB   ALA   7          HB1       ALA   7  -1.456   4.202  -2.527
   55   2HB   ALA   7          HB2       ALA   7  -2.395   4.838  -1.178
   56   3HB   ALA   7          HB3       ALA   7  -1.949   5.896  -2.518
   57    H    ASP   8           HN       ASP   8  -4.713   6.264  -4.349
   58    HA   ASP   8           HA       ASP   8  -4.216   5.200  -6.946
   59   1HB   ASP   8          HB2       ASP   8  -5.280   7.316  -7.730
   60   2HB   ASP   8          HB1       ASP   8  -6.240   6.434  -6.548
   61    H    THR   9           HN       THR   9  -2.185   6.926  -4.902
   62    HA   THR   9           HA       THR   9  -0.715   8.111  -7.157
   63    HB   THR   9           HB       THR   9  -1.287   9.696  -5.360
   64    HG1  THR   9           HG1      THR   9   0.585  10.609  -5.618
   65   1HG2  THR   9          HG21      THR   9  -1.162   9.196  -3.210
   66   2HG2  THR   9          HG22      THR   9   0.576   8.946  -3.361
   67   3HG2  THR   9          HG23      THR   9  -0.533   7.599  -3.612
   68    H    TYR  10           HN       TYR  10  -0.378   5.597  -7.331
   69    HA   TYR  10           HA       TYR  10   2.061   4.848  -5.862
   70   1HB   TYR  10          HB2       TYR  10   0.120   3.327  -5.588
   71   2HB   TYR  10          HB1       TYR  10   0.062   3.089  -7.330
   72    HD1  TYR  10           HD1      TYR  10   0.575   0.849  -7.704
   73    HD2  TYR  10           HD2      TYR  10   2.974   3.080  -4.985
   74    HE1  TYR  10           HE1      TYR  10   2.131  -1.047  -7.521
   75    HE2  TYR  10           HE2      TYR  10   4.526   1.180  -4.794
   76    HH   TYR  10           HH       TYR  10   3.974  -1.701  -5.347
   77    H    ARG  11           HN       ARG  11   3.105   2.958  -7.662
   78    HA   ARG  11           HA       ARG  11   3.896   4.668  -9.882
   79   1HB   ARG  11          HB2       ARG  11   5.321   2.227  -8.833
   80   2HB   ARG  11          HB1       ARG  11   5.985   3.523  -9.819
   81   1HG   ARG  11          HG2       ARG  11   5.685   5.072  -7.906
   82   2HG   ARG  11          HG1       ARG  11   5.125   3.711  -6.930
   83   1HD   ARG  11          HD2       ARG  11   7.814   3.814  -8.299
   84   2HD   ARG  11          HD1       ARG  11   7.543   4.306  -6.626
   85    HE   ARG  11           HE       ARG  11   6.532   1.754  -6.797
   86   1HH1  ARG  11          HH11      ARG  11   9.616   3.233  -7.422
   87   2HH1  ARG  11          HH12      ARG  11  10.519   1.838  -6.950
   88   1HH2  ARG  11          HH21      ARG  11   7.708  -0.067  -6.149
   89   2HH2  ARG  11          HH22      ARG  11   9.448  -0.023  -6.234
   90    H    GLY  12           HN       GLY  12   1.450   3.119 -10.013
   91   1HA   GLY  12          HA2       GLY  12   0.381   1.924 -11.681
   92   2HA   GLY  12          HA1       GLY  12   1.938   1.719 -12.477
   93    H    VAL  13           HN       VAL  13   3.009  -0.168 -12.272
   94    HA   VAL  13           HA       VAL  13   1.611  -2.361 -10.950
   95    HB   VAL  13           HB       VAL  13   4.018  -2.408 -12.786
   96   1HG1  VAL  13          HG11      VAL  13   2.363  -4.610 -11.586
   97   2HG1  VAL  13          HG12      VAL  13   4.113  -4.394 -11.527
   98   3HG1  VAL  13          HG13      VAL  13   3.329  -4.837 -13.043
   99   1HG2  VAL  13          HG21      VAL  13   1.209  -3.234 -13.466
  100   2HG2  VAL  13          HG22      VAL  13   2.568  -2.959 -14.556
  101   3HG2  VAL  13          HG23      VAL  13   1.805  -1.597 -13.737
  102    H    CYS  14           HN       CYS  14   2.819  -3.994  -9.731
  103    HA   CYS  14           HA       CYS  14   4.966  -2.804  -8.096
  104   1HB   CYS  14          HB2       CYS  14   3.066  -3.238  -6.703
  105   2HB   CYS  14          HB1       CYS  14   2.869  -4.858  -7.375
  106    H    PHE  15           HN       PHE  15   6.726  -4.107  -7.463
  107    HA   PHE  15           HA       PHE  15   7.086  -6.585  -9.009
  108   1HB   PHE  15          HB2       PHE  15   9.191  -4.484  -8.451
  109   2HB   PHE  15          HB1       PHE  15   9.489  -6.036  -9.231
  110    HD1  PHE  15           HD1      PHE  15   7.208  -3.097  -9.619
  111    HD2  PHE  15           HD2      PHE  15   9.630  -6.041 -11.506
  112    HE1  PHE  15           HE1      PHE  15   6.697  -2.104 -11.810
  113    HE2  PHE  15           HE2      PHE  15   9.129  -5.051 -13.702
  114    HZ   PHE  15           HZ       PHE  15   7.661  -3.079 -13.855
  115    H    THR  16           HN       THR  16   8.057  -4.789  -6.100
  116    HA   THR  16           HA       THR  16   8.488  -7.363  -4.739
  117    HB   THR  16           HB       THR  16  10.412  -6.415  -3.538
  118    HG1  THR  16           HG1      THR  16  10.331  -4.219  -5.314
  119   1HG2  THR  16          HG21      THR  16  11.257  -5.765  -6.265
  120   2HG2  THR  16          HG22      THR  16  10.500  -7.346  -6.074
  121   3HG2  THR  16          HG23      THR  16  11.916  -6.921  -5.111
  122    H    ASN  17           HN       ASN  17   7.896  -7.449  -2.566
  123    HA   ASN  17           HA       ASN  17   5.713  -6.092  -1.674
  124   1HB   ASN  17          HB2       ASN  17   7.961  -7.172   0.047
  125   2HB   ASN  17          HB1       ASN  17   6.319  -6.844   0.590
  126   1HD2  ASN  17          HD21      ASN  17   5.150  -8.613   0.786
  127   2HD2  ASN  17          HD22      ASN  17   5.272 -10.025  -0.201
  128    H    ALA  18           HN       ALA  18   9.089  -5.102  -1.241
  129    HA   ALA  18           HA       ALA  18   8.753  -3.018   0.579
  130   1HB   ALA  18          HB1       ALA  18  10.819  -2.096  -0.865
  131   2HB   ALA  18          HB2       ALA  18  10.797  -3.771  -1.416
  132   3HB   ALA  18          HB3       ALA  18  10.961  -3.410   0.303
  133    H    SER  19           HN       SER  19   8.110  -3.100  -2.867
  134    HA   SER  19           HA       SER  19   8.154  -0.396  -3.484
  135   1HB   SER  19          HB2       SER  19   7.895  -2.248  -5.124
  136   2HB   SER  19          HB1       SER  19   6.219  -2.434  -4.608
  137    HG   SER  19           HG       SER  19   5.710  -0.841  -5.884
  138    H    CYS  20           HN       CYS  20   5.586  -2.218  -1.849
  139    HA   CYS  20           HA       CYS  20   3.787   0.062  -1.922
  140   1HB   CYS  20          HB2       CYS  20   3.544  -2.654  -0.651
  141   2HB   CYS  20          HB1       CYS  20   2.302  -1.414  -0.540
  142    H    ASP  21           HN       ASP  21   5.668  -1.713   0.510
  143    HA   ASP  21           HA       ASP  21   4.800  -0.446   2.807
  144   1HB   ASP  21          HB2       ASP  21   6.427  -2.389   2.623
  145   2HB   ASP  21          HB1       ASP  21   7.683  -1.199   2.289
  146    H    ASP  22           HN       ASP  22   7.777   0.445   1.020
  147    HA   ASP  22           HA       ASP  22   8.337   2.871   2.263
  148   1HB   ASP  22          HB2       ASP  22   9.792   1.683   0.582
  149   2HB   ASP  22          HB1       ASP  22   8.715   2.249  -0.687
  150    H    HIS  23           HN       HIS  23   6.505   2.257  -0.669
  151    HA   HIS  23           HA       HIS  23   5.579   4.760  -1.332
  152   1HB   HIS  23          HB2       HIS  23   5.220   2.913  -2.780
  153   2HB   HIS  23          HB1       HIS  23   4.376   2.007  -1.551
  154    HD1  HIS  23           HD1      HIS  23   3.576   5.520  -2.672
  155    HD2  HIS  23           HD2      HIS  23   2.040   1.711  -2.857
  156    HE1  HIS  23           HE1      HIS  23   1.232   5.777  -3.564
  157    HE2  HIS  23           HE2      HIS  23   0.263   3.463  -3.514
  158    H    CYS  24           HN       CYS  24   3.737   2.378   0.581
  159    HA   CYS  24           HA       CYS  24   1.699   4.089   1.394
  160   1HB   CYS  24          HB2       CYS  24   2.881   1.653   2.705
  161   2HB   CYS  24          HB1       CYS  24   1.528   2.526   3.414
  162    H    LYS  25           HN       LYS  25   4.689   3.292   3.202
  163    HA   LYS  25           HA       LYS  25   4.180   4.931   5.396
  164   1HB   LYS  25          HB2       LYS  25   6.833   4.143   4.192
  165   2HB   LYS  25          HB1       LYS  25   6.645   4.893   5.772
  166   1HG   LYS  25          HG2       LYS  25   5.256   2.968   6.473
  167   2HG   LYS  25          HG1       LYS  25   5.574   2.211   4.912
  168   1HD   LYS  25          HD2       LYS  25   7.961   2.164   5.389
  169   2HD   LYS  25          HD1       LYS  25   7.688   2.994   6.923
  170   1HE   LYS  25          HE2       LYS  25   6.581   0.289   6.186
  171   2HE   LYS  25          HE1       LYS  25   8.004   0.559   7.189
  172   1HZ   LYS  25          HZ1       LYS  25   6.731   0.952   8.962
  173   2HZ   LYS  25          HZ2       LYS  25   5.405   0.357   8.079
  174   3HZ   LYS  25          HZ3       LYS  25   5.727   2.026   8.124
  175    H    ASN  26           HN       ASN  26   5.806   5.753   2.352
  176    HA   ASN  26           HA       ASN  26   6.345   8.444   3.211
  177   1HB   ASN  26          HB2       ASN  26   6.683   7.021   0.579
  178   2HB   ASN  26          HB1       ASN  26   7.087   8.708   0.795
  179   1HD2  ASN  26          HD21      ASN  26   8.421   5.946   0.498
  180   2HD2  ASN  26          HD22      ASN  26   9.789   6.121   1.531
  181    H    LYS  27           HN       LYS  27   3.969   6.955   1.006
  182    HA   LYS  27           HA       LYS  27   2.885   9.499   0.227
  183   1HB   LYS  27          HB2       LYS  27   1.763   6.710  -0.099
  184   2HB   LYS  27          HB1       LYS  27   1.089   8.156  -0.839
  185   1HG   LYS  27          HG2       LYS  27   3.835   7.032  -1.341
  186   2HG   LYS  27          HG1       LYS  27   2.439   6.883  -2.416
  187   1HD   LYS  27          HD2       LYS  27   2.383   9.335  -2.650
  188   2HD   LYS  27          HD1       LYS  27   3.779   9.467  -1.581
  189   1HE   LYS  27          HE2       LYS  27   4.568   9.659  -3.819
  190   2HE   LYS  27          HE1       LYS  27   5.059   8.077  -3.216
  191   1HZ   LYS  27          HZ1       LYS  27   2.504   7.964  -4.521
  192   2HZ   LYS  27          HZ2       LYS  27   3.914   7.074  -4.826
  193   3HZ   LYS  27          HZ3       LYS  27   3.703   8.590  -5.543
  194    H    ALA  28           HN       ALA  28   1.557   6.853   2.230
  195    HA   ALA  28           HA       ALA  28  -0.041   8.877   3.651
  196   1HB   ALA  28          HB1       ALA  28  -0.927   6.189   2.636
  197   2HB   ALA  28          HB2       ALA  28  -1.633   7.773   2.313
  198   3HB   ALA  28          HB3       ALA  28  -1.788   7.047   3.913
  199    H    HIS  29           HN       HIS  29   1.667   8.896   5.131
  200    HA   HIS  29           HA       HIS  29   3.110   7.254   6.511
  201   1HB   HIS  29          HB2       HIS  29   2.914   9.646   7.009
  202   2HB   HIS  29          HB1       HIS  29   1.388   9.352   7.841
  203    HD1  HIS  29           HD1      HIS  29   4.935   7.968   8.151
  204    HD2  HIS  29           HD2      HIS  29   1.776   9.302  10.501
  205    HE1  HIS  29           HE1      HIS  29   5.747   7.802  10.531
  206    HE2  HIS  29           HE2      HIS  29   3.852   8.710  11.926
  207    H    LEU  30           HN       LEU  30   2.038   5.233   6.314
  208    HA   LEU  30           HA       LEU  30   0.324   4.595   8.627
  209   1HB   LEU  30          HB2       LEU  30   0.212   3.663   5.823
  210   2HB   LEU  30          HB1       LEU  30  -0.099   2.455   7.054
  211    HG   LEU  30           HG       LEU  30  -1.972   3.720   7.904
  212   1HD1  LEU  30          HD11      LEU  30  -2.666   5.800   7.161
  213   2HD1  LEU  30          HD12      LEU  30  -1.656   5.737   5.718
  214   3HD1  LEU  30          HD13      LEU  30  -0.918   5.976   7.302
  215   1HD2  LEU  30          HD21      LEU  30  -1.850   2.456   5.458
  216   2HD2  LEU  30          HD22      LEU  30  -2.709   3.957   5.113
  217   3HD2  LEU  30          HD23      LEU  30  -3.310   2.859   6.355
  218    H    ILE  31           HN       ILE  31   0.440   2.062   8.988
  219    HA   ILE  31           HA       ILE  31   3.053   1.589   9.993
  220    HB   ILE  31           HB       ILE  31   2.129  -0.528  10.839
  221   1HG1  ILE  31          HG12      ILE  31  -0.401   0.421   9.493
  222   2HG1  ILE  31          HG11      ILE  31   0.550  -1.000   9.068
  223   1HG2  ILE  31          HG21      ILE  31   1.979   1.246  12.336
  224   2HG2  ILE  31          HG22      ILE  31   0.332   0.619  12.274
  225   3HG2  ILE  31          HG23      ILE  31   0.756   2.076  11.375
  226   1HD1  ILE  31          HD11      ILE  31  -1.025  -2.018  10.319
  227   2HD1  ILE  31          HD12      ILE  31  -1.349  -0.578  11.281
  228   3HD1  ILE  31          HD13      ILE  31   0.068  -1.569  11.626
  229    H    SER  32           HN       SER  32   1.150  -0.031   7.437
  230    HA   SER  32           HA       SER  32   3.629  -0.840   6.168
  231   1HB   SER  32          HB2       SER  32   3.312  -2.658   7.772
  232   2HB   SER  32          HB1       SER  32   1.681  -2.936   7.159
  233    HG   SER  32           HG       SER  32   4.163  -3.433   5.905
  234    H    GLY  33           HN       GLY  33   3.129  -2.245   4.154
  235   1HA   GLY  33          HA2       GLY  33   0.535  -1.960   2.948
  236   2HA   GLY  33          HA1       GLY  33   1.697  -0.807   2.300
  237    H    THR  34           HN       THR  34   0.338  -3.740   1.767
  238    HA   THR  34           HA       THR  34   2.742  -4.849   0.473
  239    HB   THR  34           HB       THR  34   1.746  -6.379   2.051
  240    HG1  THR  34           HG1      THR  34   0.813  -7.670  -0.161
  241   1HG2  THR  34          HG21      THR  34  -0.624  -7.270   0.998
  242   2HG2  THR  34          HG22      THR  34  -0.768  -5.516   0.879
  243   3HG2  THR  34          HG23      THR  34  -0.437  -6.271   2.438
  244    H    CYS  35           HN       CYS  35   2.195  -6.213  -1.523
  245    HA   CYS  35           HA       CYS  35   0.695  -4.480  -3.346
  246   1HB   CYS  35          HB2       CYS  35   2.664  -6.709  -3.912
  247   2HB   CYS  35          HB1       CYS  35   1.846  -5.755  -5.150
  248    H    HIS  36           HN       HIS  36  -1.125  -5.051  -4.329
  249    HA   HIS  36           HA       HIS  36  -2.047  -7.840  -4.047
  250   1HB   HIS  36          HB2       HIS  36  -3.640  -5.283  -3.852
  251   2HB   HIS  36          HB1       HIS  36  -4.379  -6.868  -4.037
  252    HD1  HIS  36           HD1      HIS  36  -3.518  -8.635  -2.062
  253    HD2  HIS  36           HD2      HIS  36  -3.348  -4.571  -1.272
  254    HE1  HIS  36           HE1      HIS  36  -3.395  -8.445   0.440
  255    HE2  HIS  36           HE2      HIS  36  -3.506  -5.971   0.904
  256    H    ASN  37           HN       ASN  37  -2.201  -8.838  -5.910
  257    HA   ASN  37           HA       ASN  37  -2.465  -9.316  -8.105
  258   1HB   ASN  37          HB2       ASN  37  -4.715  -8.239  -7.639
  259   2HB   ASN  37          HB1       ASN  37  -4.056  -6.741  -8.284
  260   1HD2  ASN  37          HD21      ASN  37  -2.765  -9.381  -9.944
  261   2HD2  ASN  37          HD22      ASN  37  -3.852  -9.372 -11.277
  262    H    TRP  38           HN       TRP  38  -2.465  -5.785  -8.339
  263    HA   TRP  38           HA       TRP  38   0.270  -5.739  -9.325
  264   1HB   TRP  38          HB2       TRP  38  -1.971  -4.601 -11.014
  265   2HB   TRP  38          HB1       TRP  38  -0.261  -4.540 -11.387
  266    HD1  TRP  38           HD1      TRP  38  -3.294  -6.635 -11.756
  267    HE1  TRP  38           HE1      TRP  38  -2.761  -8.752 -13.131
  268    HE3  TRP  38           HE3      TRP  38   1.799  -6.316 -11.770
  269    HZ2  TRP  38           HZ2      TRP  38  -0.478 -10.104 -14.075
  270    HZ3  TRP  38           HZ3      TRP  38   3.088  -8.063 -12.929
  271    HH2  TRP  38           HH2      TRP  38   1.971  -9.920 -14.057
  272    H    LYS  39           HN       LYS  39  -1.733  -4.505  -7.161
  273    HA   LYS  39           HA       LYS  39  -0.674  -1.764  -7.447
  274   1HB   LYS  39          HB2       LYS  39  -3.455  -2.544  -6.583
  275   2HB   LYS  39          HB1       LYS  39  -2.803  -0.914  -6.495
  276   1HG   LYS  39          HG2       LYS  39  -2.596  -0.808  -8.881
  277   2HG   LYS  39          HG1       LYS  39  -3.080  -2.500  -9.036
  278   1HD   LYS  39          HD2       LYS  39  -5.267  -1.954  -8.071
  279   2HD   LYS  39          HD1       LYS  39  -4.780  -0.264  -7.936
  280   1HE   LYS  39          HE2       LYS  39  -4.558  -0.116 -10.355
  281   2HE   LYS  39          HE1       LYS  39  -4.981  -1.824 -10.509
  282   1HZ   LYS  39          HZ1       LYS  39  -7.167  -1.422 -10.067
  283   2HZ   LYS  39          HZ2       LYS  39  -6.781   0.068 -10.769
  284   3HZ   LYS  39          HZ3       LYS  39  -6.859  -0.078  -9.085
  285    H    CYS  40           HN       CYS  40  -1.308  -0.508  -5.253
  286    HA   CYS  40           HA       CYS  40  -0.259  -2.153  -3.059
  287   1HB   CYS  40          HB2       CYS  40   0.196   0.747  -3.749
  288   2HB   CYS  40          HB1       CYS  40   0.538   0.083  -2.154
  289    H    PHE  41           HN       PHE  41  -1.277  -2.234  -1.200
  290    HA   PHE  41           HA       PHE  41  -3.513  -0.380  -0.718
  291   1HB   PHE  41          HB2       PHE  41  -3.370  -3.320   0.009
  292   2HB   PHE  41          HB1       PHE  41  -4.649  -2.218   0.510
  293    HD1  PHE  41           HD1      PHE  41  -6.578  -2.909  -0.515
  294    HD2  PHE  41           HD2      PHE  41  -3.010  -2.715  -2.822
  295    HE1  PHE  41           HE1      PHE  41  -7.852  -3.489  -2.533
  296    HE2  PHE  41           HE2      PHE  41  -4.278  -3.286  -4.845
  297    HZ   PHE  41           HZ       PHE  41  -6.704  -3.672  -4.706
  298    H    CYS  42           HN       CYS  42  -3.441   0.628   1.245
  299    HA   CYS  42           HA       CYS  42  -1.187  -0.122   2.983
  300   1HB   CYS  42          HB2       CYS  42  -2.722   2.487   2.844
  301   2HB   CYS  42          HB1       CYS  42  -1.250   2.179   3.752
  302    H    THR  43           HN       THR  43  -1.499  -0.382   5.211
  303    HA   THR  43           HA       THR  43  -4.310  -0.721   6.041
  304    HB   THR  43           HB       THR  43  -3.145  -2.805   6.152
  305    HG1  THR  43           HG1      THR  43  -2.918  -2.270   8.837
  306   1HG2  THR  43          HG21      THR  43  -1.002  -1.293   7.598
  307   2HG2  THR  43          HG22      THR  43  -0.864  -2.324   6.173
  308   3HG2  THR  43          HG23      THR  43  -1.180  -3.040   7.754
  309    H    GLN  44           HN       GLN  44  -5.124   0.315   7.735
  310    HA   GLN  44           HA       GLN  44  -3.342   1.782   9.541
  311   1HB   GLN  44          HB2       GLN  44  -3.979   3.397   7.848
  312   2HB   GLN  44          HB1       GLN  44  -5.676   2.971   8.035
  313   1HG   GLN  44          HG2       GLN  44  -5.612   3.825  10.340
  314   2HG   GLN  44          HG1       GLN  44  -3.930   4.285  10.110
  315   1HE2  GLN  44          HE21      GLN  44  -5.383   4.831   7.203
  316   2HE2  GLN  44          HE22      GLN  44  -5.824   6.481   7.422
  317    H    ASN  45           HN       ASN  45  -4.135   2.071  11.617
  318    HA   ASN  45           HA       ASN  45  -6.051   0.220  12.555
  319   1HB   ASN  45          HB2       ASN  45  -4.833   2.653  13.882
  320   2HB   ASN  45          HB1       ASN  45  -5.783   1.428  14.719
  321   1HD2  ASN  45          HD21      ASN  45  -2.735   2.413  14.023
  322   2HD2  ASN  45          HD22      ASN  45  -1.896   0.925  14.268
  323    H    CYS  46           HN       CYS  46  -8.216   0.359  12.517
  324    HA   CYS  46           HA       CYS  46  -9.512   2.948  12.872
  325   1HB   CYS  46          HB2       CYS  46 -11.027   2.579  10.949
  326   2HB   CYS  46          HB1       CYS  46  -9.356   2.759  10.434
  Start of MODEL    5
    1   1H    LYS   1          HT1       LYS   1  -9.454  -4.495  14.824
    2   2H    LYS   1          HT2       LYS   1 -10.990  -4.990  14.321
    3   3H    LYS   1          HT3       LYS   1 -10.428  -3.442  13.916
    4    HA   LYS   1           HA       LYS   1  -8.871  -5.781  13.052
    5   1HB   LYS   1          HB2       LYS   1 -10.285  -5.854  10.964
    6   2HB   LYS   1          HB1       LYS   1 -11.076  -6.457  12.410
    7   1HG   LYS   1          HG2       LYS   1 -12.275  -4.328  12.638
    8   2HG   LYS   1          HG1       LYS   1 -11.488  -3.742  11.168
    9   1HD   LYS   1          HD2       LYS   1 -12.568  -5.432   9.842
   10   2HD   LYS   1          HD1       LYS   1 -13.191  -6.235  11.282
   11   1HE   LYS   1          HE2       LYS   1 -14.954  -4.973  10.209
   12   2HE   LYS   1          HE1       LYS   1 -14.564  -4.264  11.776
   13   1HZ   LYS   1          HZ1       LYS   1 -12.950  -2.887  10.093
   14   2HZ   LYS   1          HZ2       LYS   1 -14.460  -2.355  10.636
   15   3HZ   LYS   1          HZ3       LYS   1 -14.325  -3.121   9.134
   16    H    THR   2           HN       THR   2  -8.606  -5.067  10.404
   17    HA   THR   2           HA       THR   2  -7.676  -2.274  10.520
   18    HB   THR   2           HB       THR   2  -5.668  -2.882   9.252
   19    HG1  THR   2           HG1      THR   2  -6.107  -5.608   9.718
   20   1HG2  THR   2          HG21      THR   2  -5.956  -3.279  11.915
   21   2HG2  THR   2          HG22      THR   2  -4.436  -3.423  11.035
   22   3HG2  THR   2          HG23      THR   2  -5.387  -4.864  11.389
   23    H    CYS   3           HN       CYS   3  -7.649  -1.138   8.544
   24    HA   CYS   3           HA       CYS   3  -9.260  -2.418   6.429
   25   1HB   CYS   3          HB2       CYS   3  -9.247   0.469   7.323
   26   2HB   CYS   3          HB1       CYS   3 -10.052  -0.101   5.864
   27    H    GLU   4           HN       GLU   4  -8.649  -2.204   4.332
   28    HA   GLU   4           HA       GLU   4  -6.018  -0.971   3.880
   29   1HB   GLU   4          HB2       GLU   4  -7.327  -3.354   2.593
   30   2HB   GLU   4          HB1       GLU   4  -5.952  -2.537   1.862
   31   1HG   GLU   4          HG2       GLU   4  -4.643  -2.976   3.905
   32   2HG   GLU   4          HG1       GLU   4  -6.017  -3.864   4.565
   33    H    HIS   5           HN       HIS   5  -5.687   0.415   2.238
   34    HA   HIS   5           HA       HIS   5  -7.861   0.950   0.355
   35   1HB   HIS   5          HB2       HIS   5  -6.557   3.085   2.059
   36   2HB   HIS   5          HB1       HIS   5  -7.666   3.391   0.728
   37    HD1  HIS   5           HD1      HIS   5 -10.042   1.820   1.182
   38    HD2  HIS   5           HD2      HIS   5  -7.871   3.320   4.389
   39    HE1  HIS   5           HE1      HIS   5 -11.652   1.869   3.116
   40    HE2  HIS   5           HE2      HIS   5 -10.357   2.939   4.996
   41    H    LEU   6           HN       LEU   6  -7.218   1.711  -1.621
   42    HA   LEU   6           HA       LEU   6  -4.366   1.529  -2.216
   43   1HB   LEU   6          HB2       LEU   6  -5.900   0.259  -3.597
   44   2HB   LEU   6          HB1       LEU   6  -6.825   1.703  -3.972
   45    HG   LEU   6           HG       LEU   6  -5.416   0.924  -5.845
   46   1HD1  LEU   6          HD11      LEU   6  -4.920   3.011  -6.575
   47   2HD1  LEU   6          HD12      LEU   6  -4.183   3.499  -5.051
   48   3HD1  LEU   6          HD13      LEU   6  -5.940   3.433  -5.200
   49   1HD2  LEU   6          HD21      LEU   6  -3.106   0.819  -5.773
   50   2HD2  LEU   6          HD22      LEU   6  -3.571   0.166  -4.202
   51   3HD2  LEU   6          HD23      LEU   6  -3.003   1.830  -4.333
   52    H    ALA   7           HN       ALA   7  -3.118   3.302  -2.383
   53    HA   ALA   7           HA       ALA   7  -4.333   5.915  -2.236
   54   1HB   ALA   7          HB1       ALA   7  -1.464   5.935  -2.671
   55   2HB   ALA   7          HB2       ALA   7  -1.938   4.861  -1.356
   56   3HB   ALA   7          HB3       ALA   7  -2.410   6.560  -1.320
   57    H    ASP   8           HN       ASP   8  -4.681   7.321  -3.817
   58    HA   ASP   8           HA       ASP   8  -4.136   6.571  -6.548
   59   1HB   ASP   8          HB2       ASP   8  -5.570   8.949  -5.354
   60   2HB   ASP   8          HB1       ASP   8  -5.471   8.616  -7.078
   61    H    THR   9           HN       THR   9  -1.762   7.230  -5.004
   62    HA   THR   9           HA       THR   9  -0.826   9.590  -6.507
   63    HB   THR   9           HB       THR   9  -0.789  10.141  -4.179
   64    HG1  THR   9           HG1      THR   9   1.044  10.885  -5.147
   65   1HG2  THR   9          HG21      THR   9   0.925   7.748  -3.622
   66   2HG2  THR   9          HG22      THR   9  -0.804   7.821  -3.288
   67   3HG2  THR   9          HG23      THR   9   0.301   8.926  -2.472
   68    H    TYR  10           HN       TYR  10  -0.065   6.350  -5.383
   69    HA   TYR  10           HA       TYR  10   1.964   6.128  -7.501
   70   1HB   TYR  10          HB2       TYR  10   3.315   6.166  -5.593
   71   2HB   TYR  10          HB1       TYR  10   2.164   5.229  -4.652
   72    HD1  TYR  10           HD1      TYR  10   4.317   4.915  -7.683
   73    HD2  TYR  10           HD2      TYR  10   2.561   2.965  -4.338
   74    HE1  TYR  10           HE1      TYR  10   5.556   2.861  -8.234
   75    HE2  TYR  10           HE2      TYR  10   3.810   0.922  -4.863
   76    HH   TYR  10           HH       TYR  10   6.377   0.859  -7.036
   77    H    ARG  11           HN       ARG  11   1.188   4.710  -8.964
   78    HA   ARG  11           HA       ARG  11   0.144   2.174  -7.983
   79   1HB   ARG  11          HB2       ARG  11  -1.440   3.985  -9.802
   80   2HB   ARG  11          HB1       ARG  11  -1.878   2.330  -9.398
   81   1HG   ARG  11          HG2       ARG  11  -2.150   2.922  -7.062
   82   2HG   ARG  11          HG1       ARG  11  -1.597   4.567  -7.381
   83   1HD   ARG  11          HD2       ARG  11  -4.080   3.275  -8.534
   84   2HD   ARG  11          HD1       ARG  11  -4.046   4.451  -7.218
   85    HE   ARG  11           HE       ARG  11  -2.770   5.570  -9.463
   86   1HH1  ARG  11          HH11      ARG  11  -5.954   4.632  -8.423
   87   2HH1  ARG  11          HH12      ARG  11  -6.759   5.785  -9.423
   88   1HH2  ARG  11          HH21      ARG  11  -3.834   7.074 -10.789
   89   2HH2  ARG  11          HH22      ARG  11  -5.561   7.162 -10.777
   90    H    GLY  12           HN       GLY  12   1.790   1.012  -8.890
   91   1HA   GLY  12          HA2       GLY  12   1.734   0.835 -11.827
   92   2HA   GLY  12          HA1       GLY  12   3.284   1.053 -11.022
   93    H    VAL  13           HN       VAL  13   3.525  -1.048 -12.364
   94    HA   VAL  13           HA       VAL  13   2.307  -3.430 -11.385
   95    HB   VAL  13           HB       VAL  13   4.927  -3.196 -12.879
   96   1HG1  VAL  13          HG11      VAL  13   3.123  -5.476 -12.184
   97   2HG1  VAL  13          HG12      VAL  13   4.882  -5.375 -12.115
   98   3HG1  VAL  13          HG13      VAL  13   4.069  -5.534 -13.673
   99   1HG2  VAL  13          HG21      VAL  13   2.090  -3.283 -13.855
  100   2HG2  VAL  13          HG22      VAL  13   3.433  -3.820 -14.863
  101   3HG2  VAL  13          HG23      VAL  13   3.372  -2.154 -14.288
  102    H    CYS  14           HN       CYS  14   2.745  -4.499  -9.520
  103    HA   CYS  14           HA       CYS  14   5.125  -3.701  -8.024
  104   1HB   CYS  14          HB2       CYS  14   3.166  -3.793  -6.680
  105   2HB   CYS  14          HB1       CYS  14   2.771  -5.423  -7.250
  106    H    PHE  15           HN       PHE  15   6.763  -5.020  -7.379
  107    HA   PHE  15           HA       PHE  15   6.909  -7.689  -8.613
  108   1HB   PHE  15          HB2       PHE  15   9.159  -5.683  -8.328
  109   2HB   PHE  15          HB1       PHE  15   9.342  -7.330  -8.927
  110    HD1  PHE  15           HD1      PHE  15   9.410  -7.623 -11.193
  111    HD2  PHE  15           HD2      PHE  15   7.290  -4.279  -9.633
  112    HE1  PHE  15           HE1      PHE  15   8.961  -6.839 -13.483
  113    HE2  PHE  15           HE2      PHE  15   6.834  -3.495 -11.916
  114    HZ   PHE  15           HZ       PHE  15   7.668  -4.775 -13.846
  115    H    THR  16           HN       THR  16   7.991  -5.620  -5.945
  116    HA   THR  16           HA       THR  16   8.302  -8.026  -4.277
  117    HB   THR  16           HB       THR  16  10.243  -7.051  -3.167
  118    HG1  THR  16           HG1      THR  16  10.176  -4.968  -5.087
  119   1HG2  THR  16          HG21      THR  16  11.180  -6.616  -5.902
  120   2HG2  THR  16          HG22      THR  16  10.344  -8.148  -5.647
  121   3HG2  THR  16          HG23      THR  16  11.751  -7.734  -4.666
  122    H    ASN  17           HN       ASN  17   7.880  -7.699  -2.031
  123    HA   ASN  17           HA       ASN  17   5.652  -6.124  -1.454
  124   1HB   ASN  17          HB2       ASN  17   7.660  -7.375   0.432
  125   2HB   ASN  17          HB1       ASN  17   6.079  -6.763   0.905
  126   1HD2  ASN  17          HD21      ASN  17   7.701  -9.505   0.256
  127   2HD2  ASN  17          HD22      ASN  17   6.400 -10.501  -0.290
  128    H    ALA  18           HN       ALA  18   9.019  -5.243  -1.353
  129    HA   ALA  18           HA       ALA  18   8.822  -3.117   0.523
  130   1HB   ALA  18          HB1       ALA  18  11.040  -2.522  -0.164
  131   2HB   ALA  18          HB2       ALA  18  10.883  -3.457  -1.651
  132   3HB   ALA  18          HB3       ALA  18  10.933  -4.281  -0.092
  133    H    SER  19           HN       SER  19   7.829  -3.307  -2.784
  134    HA   SER  19           HA       SER  19   8.267  -0.595  -3.517
  135   1HB   SER  19          HB2       SER  19   6.765  -1.025  -5.387
  136   2HB   SER  19          HB1       SER  19   7.837  -2.406  -5.157
  137    HG   SER  19           HG       SER  19   5.135  -2.296  -5.022
  138    H    CYS  20           HN       CYS  20   5.296  -2.225  -2.362
  139    HA   CYS  20           HA       CYS  20   3.786   0.198  -2.250
  140   1HB   CYS  20          HB2       CYS  20   3.290  -2.463  -0.921
  141   2HB   CYS  20          HB1       CYS  20   2.126  -1.152  -1.045
  142    H    ASP  21           HN       ASP  21   5.535  -1.733   0.159
  143    HA   ASP  21           HA       ASP  21   4.758  -0.446   2.482
  144   1HB   ASP  21          HB2       ASP  21   6.319  -2.406   2.375
  145   2HB   ASP  21          HB1       ASP  21   7.586  -1.307   1.831
  146    H    ASP  22           HN       ASP  22   7.565   0.341   0.435
  147    HA   ASP  22           HA       ASP  22   8.325   2.732   1.633
  148   1HB   ASP  22          HB2       ASP  22   9.635   1.564  -0.131
  149   2HB   ASP  22          HB1       ASP  22   8.442   2.059  -1.319
  150    H    HIS  23           HN       HIS  23   6.145   2.190  -1.085
  151    HA   HIS  23           HA       HIS  23   5.252   4.733  -1.642
  152   1HB   HIS  23          HB2       HIS  23   4.460   2.916  -2.958
  153   2HB   HIS  23          HB1       HIS  23   3.840   2.066  -1.566
  154    HD1  HIS  23           HD1      HIS  23   3.143   5.545  -2.819
  155    HD2  HIS  23           HD2      HIS  23   1.161   2.064  -1.960
  156    HE1  HIS  23           HE1      HIS  23   0.698   6.070  -3.124
  157    HE2  HIS  23           HE2      HIS  23  -0.461   3.874  -2.771
  158    H    CYS  24           HN       CYS  24   3.819   2.481   0.679
  159    HA   CYS  24           HA       CYS  24   1.977   4.250   1.801
  160   1HB   CYS  24          HB2       CYS  24   3.319   1.798   2.915
  161   2HB   CYS  24          HB1       CYS  24   2.094   2.694   3.811
  162    H    LYS  25           HN       LYS  25   5.293   3.496   2.984
  163    HA   LYS  25           HA       LYS  25   5.120   5.233   5.201
  164   1HB   LYS  25          HB2       LYS  25   7.526   5.072   5.381
  165   2HB   LYS  25          HB1       LYS  25   6.841   3.496   5.027
  166   1HG   LYS  25          HG2       LYS  25   7.529   3.729   2.696
  167   2HG   LYS  25          HG1       LYS  25   8.232   5.306   3.063
  168   1HD   LYS  25          HD2       LYS  25   9.721   4.209   4.718
  169   2HD   LYS  25          HD1       LYS  25   9.058   2.646   4.244
  170   1HE   LYS  25          HE2       LYS  25   9.885   3.019   1.950
  171   2HE   LYS  25          HE1       LYS  25  10.582   4.553   2.469
  172   1HZ   LYS  25          HZ1       LYS  25  12.390   3.439   3.078
  173   2HZ   LYS  25          HZ2       LYS  25  11.671   1.961   2.679
  174   3HZ   LYS  25          HZ3       LYS  25  11.486   2.596   4.237
  175    H    ASN  26           HN       ASN  26   6.153   5.843   1.886
  176    HA   ASN  26           HA       ASN  26   6.903   8.570   2.557
  177   1HB   ASN  26          HB2       ASN  26   7.141   6.865   0.110
  178   2HB   ASN  26          HB1       ASN  26   7.500   8.572   0.060
  179   1HD2  ASN  26          HD21      ASN  26   8.733   5.673   0.454
  180   2HD2  ASN  26          HD22      ASN  26  10.192   6.097   1.266
  181    H    LYS  27           HN       LYS  27   4.175   6.990   0.966
  182    HA   LYS  27           HA       LYS  27   3.217   9.602   0.025
  183   1HB   LYS  27          HB2       LYS  27   2.143   6.817  -0.406
  184   2HB   LYS  27          HB1       LYS  27   1.398   8.273  -1.042
  185   1HG   LYS  27          HG2       LYS  27   4.158   7.282  -1.696
  186   2HG   LYS  27          HG1       LYS  27   2.718   7.118  -2.714
  187   1HD   LYS  27          HD2       LYS  27   2.543   9.576  -2.825
  188   2HD   LYS  27          HD1       LYS  27   3.999   9.725  -1.833
  189   1HE   LYS  27          HE2       LYS  27   3.823   8.453  -4.575
  190   2HE   LYS  27          HE1       LYS  27   4.482  10.049  -4.213
  191   1HZ   LYS  27          HZ1       LYS  27   5.871   8.374  -2.552
  192   2HZ   LYS  27          HZ2       LYS  27   6.440   9.003  -4.017
  193   3HZ   LYS  27          HZ3       LYS  27   5.724   7.471  -3.975
  194    H    ALA  28           HN       ALA  28   1.993   6.919   2.040
  195    HA   ALA  28           HA       ALA  28   0.274   8.877   3.403
  196   1HB   ALA  28          HB1       ALA  28  -0.878   6.225   3.395
  197   2HB   ALA  28          HB2       ALA  28  -0.642   6.839   1.759
  198   3HB   ALA  28          HB3       ALA  28  -1.591   7.768   2.921
  199    H    HIS  29           HN       HIS  29   1.847   9.009   4.968
  200    HA   HIS  29           HA       HIS  29   3.296   7.332   6.413
  201   1HB   HIS  29          HB2       HIS  29   3.216   9.773   6.701
  202   2HB   HIS  29          HB1       HIS  29   1.697   9.621   7.571
  203    HD1  HIS  29           HD1      HIS  29   2.158   7.643   9.685
  204    HD2  HIS  29           HD2      HIS  29   5.123  10.282   8.471
  205    HE1  HIS  29           HE1      HIS  29   3.759   7.802  11.633
  206    HE2  HIS  29           HE2      HIS  29   5.463   9.519  10.921
  207    H    LEU  30           HN       LEU  30   1.905   5.389   6.247
  208    HA   LEU  30           HA       LEU  30   0.187   5.094   8.623
  209   1HB   LEU  30          HB2       LEU  30   0.091   3.841   5.924
  210   2HB   LEU  30          HB1       LEU  30  -0.467   2.887   7.287
  211    HG   LEU  30           HG       LEU  30  -2.333   4.008   6.185
  212   1HD1  LEU  30          HD11      LEU  30  -1.605   4.444   8.972
  213   2HD1  LEU  30          HD12      LEU  30  -3.109   3.855   8.266
  214   3HD1  LEU  30          HD13      LEU  30  -2.799   5.588   8.363
  215   1HD2  LEU  30          HD21      LEU  30  -1.443   5.935   5.208
  216   2HD2  LEU  30          HD22      LEU  30  -0.727   6.482   6.722
  217   3HD2  LEU  30          HD23      LEU  30  -2.474   6.539   6.503
  218    H    ILE  31           HN       ILE  31   0.209   2.300   8.889
  219    HA   ILE  31           HA       ILE  31   2.762   1.988  10.159
  220    HB   ILE  31           HB       ILE  31   1.838  -0.109  11.054
  221   1HG1  ILE  31          HG12      ILE  31  -0.662   0.775   9.616
  222   2HG1  ILE  31          HG11      ILE  31   0.317  -0.639   9.237
  223   1HG2  ILE  31          HG21      ILE  31  -0.006   1.088  12.376
  224   2HG2  ILE  31          HG22      ILE  31   0.448   2.508  11.434
  225   3HG2  ILE  31          HG23      ILE  31   1.638   1.718  12.470
  226   1HD1  ILE  31          HD11      ILE  31  -1.465  -0.158  11.586
  227   2HD1  ILE  31          HD12      ILE  31  -0.188  -1.372  11.644
  228   3HD1  ILE  31          HD13      ILE  31  -1.470  -1.499  10.440
  229    H    SER  32           HN       SER  32   1.058   0.159   7.590
  230    HA   SER  32           HA       SER  32   3.628  -0.602   6.513
  231   1HB   SER  32          HB2       SER  32   1.860  -2.723   7.752
  232   2HB   SER  32          HB1       SER  32   3.164  -3.078   6.620
  233    HG   SER  32           HG       SER  32   3.942  -1.458   8.708
  234    H    GLY  33           HN       GLY  33   3.554  -1.433   4.399
  235   1HA   GLY  33          HA2       GLY  33   0.855  -1.505   3.168
  236   2HA   GLY  33          HA1       GLY  33   2.168  -0.602   2.427
  237    H    THR  34           HN       THR  34   0.435  -3.076   1.726
  238    HA   THR  34           HA       THR  34   2.693  -4.745   0.799
  239    HB   THR  34           HB       THR  34   1.513  -5.982   2.514
  240    HG1  THR  34           HG1      THR  34   0.503  -7.624   0.841
  241   1HG2  THR  34          HG21      THR  34  -0.999  -6.051   0.908
  242   2HG2  THR  34          HG22      THR  34  -0.722  -4.751   2.071
  243   3HG2  THR  34          HG23      THR  34  -0.736  -6.432   2.605
  244    H    CYS  35           HN       CYS  35   2.119  -6.121  -1.139
  245    HA   CYS  35           HA       CYS  35   0.779  -4.434  -3.121
  246   1HB   CYS  35          HB2       CYS  35   2.554  -6.863  -3.376
  247   2HB   CYS  35          HB1       CYS  35   1.751  -6.111  -4.756
  248    H    HIS  36           HN       HIS  36  -1.129  -4.867  -4.021
  249    HA   HIS  36           HA       HIS  36  -2.330  -7.516  -3.549
  250   1HB   HIS  36          HB2       HIS  36  -3.594  -4.794  -3.807
  251   2HB   HIS  36          HB1       HIS  36  -4.526  -6.277  -3.995
  252    HD1  HIS  36           HD1      HIS  36  -4.342  -7.951  -1.819
  253    HD2  HIS  36           HD2      HIS  36  -3.380  -3.954  -1.249
  254    HE1  HIS  36           HE1      HIS  36  -4.412  -7.595   0.674
  255    HE2  HIS  36           HE2      HIS  36  -3.705  -5.198   1.017
  256    H    ASN  37           HN       ASN  37  -1.067  -8.214  -5.364
  257    HA   ASN  37           HA       ASN  37  -0.975  -9.022  -7.482
  258   1HB   ASN  37          HB2       ASN  37  -3.504  -7.414  -7.935
  259   2HB   ASN  37          HB1       ASN  37  -2.812  -8.553  -9.089
  260   1HD2  ASN  37          HD21      ASN  37  -5.109  -8.209  -6.773
  261   2HD2  ASN  37          HD22      ASN  37  -5.322  -9.867  -6.340
  262    H    TRP  38           HN       TRP  38  -2.312  -5.806  -8.179
  263    HA   TRP  38           HA       TRP  38   0.323  -4.982  -9.177
  264   1HB   TRP  38          HB2       TRP  38  -2.254  -4.536 -10.678
  265   2HB   TRP  38          HB1       TRP  38  -0.660  -4.042 -11.187
  266    HD1  TRP  38           HD1      TRP  38  -2.253  -7.388 -10.232
  267    HE1  TRP  38           HE1      TRP  38  -1.516  -9.161 -11.960
  268    HE3  TRP  38           HE3      TRP  38   0.667  -4.431 -13.100
  269    HZ2  TRP  38           HZ2      TRP  38   0.130  -9.248 -14.262
  270    HZ3  TRP  38           HZ3      TRP  38   1.802  -5.399 -15.062
  271    HH2  TRP  38           HH2      TRP  38   1.536  -7.763 -15.629
  272    H    LYS  39           HN       LYS  39  -1.854  -4.277  -6.929
  273    HA   LYS  39           HA       LYS  39  -1.574  -1.371  -7.303
  274   1HB   LYS  39          HB2       LYS  39  -3.895  -2.872  -6.071
  275   2HB   LYS  39          HB1       LYS  39  -3.734  -1.122  -6.095
  276   1HG   LYS  39          HG2       LYS  39  -3.829  -1.140  -8.525
  277   2HG   LYS  39          HG1       LYS  39  -3.952  -2.901  -8.510
  278   1HD   LYS  39          HD2       LYS  39  -6.049  -2.719  -7.222
  279   2HD   LYS  39          HD1       LYS  39  -5.931  -0.963  -7.311
  280   1HE   LYS  39          HE2       LYS  39  -7.478  -1.779  -8.982
  281   2HE   LYS  39          HE1       LYS  39  -6.052  -1.092  -9.763
  282   1HZ   LYS  39          HZ1       LYS  39  -6.201  -3.994  -9.218
  283   2HZ   LYS  39          HZ2       LYS  39  -5.288  -3.177 -10.384
  284   3HZ   LYS  39          HZ3       LYS  39  -6.960  -3.346 -10.587
  285    H    CYS  40           HN       CYS  40  -1.212  -0.107  -5.398
  286    HA   CYS  40           HA       CYS  40  -0.127  -1.694  -3.179
  287   1HB   CYS  40          HB2       CYS  40   0.540   1.052  -4.213
  288   2HB   CYS  40          HB1       CYS  40   1.029   0.504  -2.609
  289    H    PHE  41           HN       PHE  41  -1.373  -1.903  -1.506
  290    HA   PHE  41           HA       PHE  41  -3.148   0.315  -0.702
  291   1HB   PHE  41          HB2       PHE  41  -3.314  -2.640  -0.047
  292   2HB   PHE  41          HB1       PHE  41  -4.387  -1.413   0.612
  293    HD1  PHE  41           HD1      PHE  41  -3.178  -2.180  -2.845
  294    HD2  PHE  41           HD2      PHE  41  -6.488  -1.657  -0.225
  295    HE1  PHE  41           HE1      PHE  41  -4.719  -2.578  -4.715
  296    HE2  PHE  41           HE2      PHE  41  -8.036  -2.048  -2.096
  297    HZ   PHE  41           HZ       PHE  41  -7.149  -2.513  -4.347
  298    H    CYS  42           HN       CYS  42  -3.256   0.829   1.534
  299    HA   CYS  42           HA       CYS  42  -0.848   0.045   3.019
  300   1HB   CYS  42          HB2       CYS  42  -2.498   2.584   3.166
  301   2HB   CYS  42          HB1       CYS  42  -1.127   2.211   4.201
  302    H    THR  43           HN       THR  43  -1.185   0.098   5.452
  303    HA   THR  43           HA       THR  43  -3.798  -1.082   6.092
  304    HB   THR  43           HB       THR  43  -2.558  -2.034   8.068
  305    HG1  THR  43           HG1      THR  43  -0.233  -1.325   6.628
  306   1HG2  THR  43          HG21      THR  43  -0.981  -3.075   5.841
  307   2HG2  THR  43          HG22      THR  43  -2.726  -3.075   5.577
  308   3HG2  THR  43          HG23      THR  43  -2.044  -3.907   6.975
  309    H    GLN  44           HN       GLN  44  -5.047  -0.254   7.652
  310    HA   GLN  44           HA       GLN  44  -3.988   1.787   9.454
  311   1HB   GLN  44          HB2       GLN  44  -4.808   2.996   7.467
  312   2HB   GLN  44          HB1       GLN  44  -6.380   2.234   7.653
  313   1HG   GLN  44          HG2       GLN  44  -6.705   3.368   9.776
  314   2HG   GLN  44          HG1       GLN  44  -5.104   4.096   9.650
  315   1HE2  GLN  44          HE21      GLN  44  -5.114   6.116   8.972
  316   2HE2  GLN  44          HE22      GLN  44  -6.292   6.837   7.937
  317    H    ASN  45           HN       ASN  45  -5.139   2.015  11.364
  318    HA   ASN  45           HA       ASN  45  -6.554  -0.261  12.283
  319   1HB   ASN  45          HB2       ASN  45  -6.272   2.489  13.536
  320   2HB   ASN  45          HB1       ASN  45  -6.803   1.029  14.366
  321   1HD2  ASN  45          HD21      ASN  45  -4.226   2.987  13.927
  322   2HD2  ASN  45          HD22      ASN  45  -2.952   1.864  14.233
  323    H    CYS  46           HN       CYS  46  -8.737  -0.625  12.621
  324    HA   CYS  46           HA       CYS  46 -10.703   1.447  12.470
  325   1HB   CYS  46          HB2       CYS  46 -11.794   0.799  10.398
  326   2HB   CYS  46          HB1       CYS  46 -10.116   1.238  10.077
  Start of MODEL    6
    1   1H    LYS   1          HT1       LYS   1  -9.043  -1.777  15.866
    2   2H    LYS   1          HT2       LYS   1  -7.897  -2.961  16.249
    3   3H    LYS   1          HT3       LYS   1  -9.541  -3.271  16.490
    4    HA   LYS   1           HA       LYS   1  -8.406  -4.277  14.451
    5   1HB   LYS   1          HB2       LYS   1 -10.520  -3.863  13.109
    6   2HB   LYS   1          HB1       LYS   1 -10.762  -4.472  14.739
    7   1HG   LYS   1          HG2       LYS   1 -11.297  -2.197  15.496
    8   2HG   LYS   1          HG1       LYS   1 -11.077  -1.609  13.848
    9   1HD   LYS   1          HD2       LYS   1 -12.916  -2.970  13.068
   10   2HD   LYS   1          HD1       LYS   1 -13.093  -3.707  14.661
   11   1HE   LYS   1          HE2       LYS   1 -13.449  -0.768  14.071
   12   2HE   LYS   1          HE1       LYS   1 -14.770  -1.934  14.180
   13   1HZ   LYS   1          HZ1       LYS   1 -13.012  -1.962  16.469
   14   2HZ   LYS   1          HZ2       LYS   1 -14.700  -1.901  16.408
   15   3HZ   LYS   1          HZ3       LYS   1 -13.795  -0.479  16.248
   16    H    THR   2           HN       THR   2  -8.401  -3.781  12.028
   17    HA   THR   2           HA       THR   2  -7.584  -1.011  11.476
   18    HB   THR   2           HB       THR   2  -5.607  -1.792  10.233
   19    HG1  THR   2           HG1      THR   2  -6.627  -4.048  10.070
   20   1HG2  THR   2          HG21      THR   2  -4.233  -1.864  11.998
   21   2HG2  THR   2          HG22      THR   2  -5.126  -3.169  12.778
   22   3HG2  THR   2          HG23      THR   2  -5.703  -1.506  12.905
   23    H    CYS   3           HN       CYS   3  -7.647  -0.411   9.233
   24    HA   CYS   3           HA       CYS   3  -9.446  -2.145   7.654
   25   1HB   CYS   3          HB2       CYS   3  -9.119   0.860   7.565
   26   2HB   CYS   3          HB1       CYS   3 -10.184  -0.071   6.519
   27    H    GLU   4           HN       GLU   4  -9.133  -2.349   5.403
   28    HA   GLU   4           HA       GLU   4  -6.390  -1.752   4.499
   29   1HB   GLU   4          HB2       GLU   4  -8.304  -3.894   3.545
   30   2HB   GLU   4          HB1       GLU   4  -6.727  -3.573   2.838
   31   1HG   GLU   4          HG2       GLU   4  -5.681  -4.130   4.991
   32   2HG   GLU   4          HG1       GLU   4  -7.269  -4.521   5.641
   33    H    HIS   5           HN       HIS   5  -6.145  -0.295   2.935
   34    HA   HIS   5           HA       HIS   5  -8.328   0.131   1.029
   35   1HB   HIS   5          HB2       HIS   5  -7.034   2.334   2.649
   36   2HB   HIS   5          HB1       HIS   5  -8.084   2.607   1.264
   37    HD1  HIS   5           HD1      HIS   5 -10.496   1.072   1.682
   38    HD2  HIS   5           HD2      HIS   5  -8.448   2.690   4.912
   39    HE1  HIS   5           HE1      HIS   5 -12.182   1.205   3.543
   40    HE2  HIS   5           HE2      HIS   5 -10.962   2.348   5.429
   41    H    LEU   6           HN       LEU   6  -7.691   0.435  -0.992
   42    HA   LEU   6           HA       LEU   6  -4.911   0.222  -1.654
   43   1HB   LEU   6          HB2       LEU   6  -6.642  -0.902  -2.962
   44   2HB   LEU   6          HB1       LEU   6  -7.357   0.645  -3.383
   45    HG   LEU   6           HG       LEU   6  -4.608  -0.278  -4.243
   46   1HD1  LEU   6          HD11      LEU   6  -6.184  -0.070  -6.473
   47   2HD1  LEU   6          HD12      LEU   6  -7.288  -0.767  -5.286
   48   3HD1  LEU   6          HD13      LEU   6  -5.763  -1.573  -5.653
   49   1HD2  LEU   6          HD21      LEU   6  -5.408   1.650  -5.983
   50   2HD2  LEU   6          HD22      LEU   6  -4.356   1.929  -4.597
   51   3HD2  LEU   6          HD23      LEU   6  -6.086   2.251  -4.472
   52    H    ALA   7           HN       ALA   7  -3.519   1.820  -2.100
   53    HA   ALA   7           HA       ALA   7  -4.449   4.566  -1.892
   54   1HB   ALA   7          HB1       ALA   7  -1.772   4.782  -2.277
   55   2HB   ALA   7          HB2       ALA   7  -1.893   3.173  -1.562
   56   3HB   ALA   7          HB3       ALA   7  -2.551   4.568  -0.709
   57    H    ASP   8           HN       ASP   8  -4.770   5.911  -3.508
   58    HA   ASP   8           HA       ASP   8  -4.392   5.054  -6.228
   59   1HB   ASP   8          HB2       ASP   8  -5.517   7.236  -6.751
   60   2HB   ASP   8          HB1       ASP   8  -6.434   6.173  -5.689
   61    H    THR   9           HN       THR   9  -2.315   6.627  -4.099
   62    HA   THR   9           HA       THR   9  -0.991   8.083  -6.296
   63    HB   THR   9           HB       THR   9  -1.535   9.490  -4.366
   64    HG1  THR   9           HG1      THR   9   0.269  10.435  -4.830
   65   1HG2  THR   9          HG21      THR   9  -1.584   8.181  -2.463
   66   2HG2  THR   9          HG22      THR   9  -0.084   9.090  -2.276
   67   3HG2  THR   9          HG23      THR   9  -0.037   7.417  -2.825
   68    H    TYR  10           HN       TYR  10  -0.648   5.547  -6.612
   69    HA   TYR  10           HA       TYR  10   1.910   4.773  -5.382
   70   1HB   TYR  10          HB2       TYR  10  -0.002   3.217  -5.066
   71   2HB   TYR  10          HB1       TYR  10  -0.180   3.084  -6.808
   72    HD1  TYR  10           HD1      TYR  10   0.296   0.900  -7.373
   73    HD2  TYR  10           HD2      TYR  10   2.874   2.908  -4.647
   74    HE1  TYR  10           HE1      TYR  10   1.847  -1.005  -7.443
   75    HE2  TYR  10           HE2      TYR  10   4.429   0.998  -4.707
   76    HH   TYR  10           HH       TYR  10   4.876  -0.918  -6.651
   77    H    ARG  11           HN       ARG  11   2.733   2.950  -7.420
   78    HA   ARG  11           HA       ARG  11   3.490   4.809  -9.530
   79   1HB   ARG  11          HB2       ARG  11   4.841   2.222  -8.773
   80   2HB   ARG  11          HB1       ARG  11   5.509   3.566  -9.692
   81   1HG   ARG  11          HG2       ARG  11   5.355   4.958  -7.630
   82   2HG   ARG  11          HG1       ARG  11   4.861   3.506  -6.754
   83   1HD   ARG  11          HD2       ARG  11   6.932   2.421  -7.237
   84   2HD   ARG  11          HD1       ARG  11   7.425   3.715  -8.332
   85    HE   ARG  11           HE       ARG  11   6.948   4.817  -5.806
   86   1HH1  ARG  11          HH11      ARG  11   9.221   2.689  -7.358
   87   2HH1  ARG  11          HH12      ARG  11  10.512   3.083  -6.284
   88   1HH2  ARG  11          HH21      ARG  11   8.650   5.337  -4.404
   89   2HH2  ARG  11          HH22      ARG  11  10.185   4.573  -4.603
   90    H    GLY  12           HN       GLY  12   4.568   2.517 -11.108
   91   1HA   GLY  12          HA2       GLY  12   2.068   1.815 -12.453
   92   2HA   GLY  12          HA1       GLY  12   3.691   1.612 -13.104
   93    H    VAL  13           HN       VAL  13   4.785  -0.295 -12.761
   94    HA   VAL  13           HA       VAL  13   3.151  -2.529 -11.837
   95    HB   VAL  13           HB       VAL  13   5.871  -2.558 -13.152
   96   1HG1  VAL  13          HG11      VAL  13   3.934  -4.725 -12.402
   97   2HG1  VAL  13          HG12      VAL  13   5.665  -4.619 -12.084
   98   3HG1  VAL  13          HG13      VAL  13   5.089  -4.941 -13.719
   99   1HG2  VAL  13          HG21      VAL  13   3.270  -3.214 -14.494
  100   2HG2  VAL  13          HG22      VAL  13   4.831  -2.842 -15.223
  101   3HG2  VAL  13          HG23      VAL  13   3.893  -1.567 -14.447
  102    H    CYS  14           HN       CYS  14   3.674  -3.921 -10.157
  103    HA   CYS  14           HA       CYS  14   5.801  -2.964  -8.347
  104   1HB   CYS  14          HB2       CYS  14   3.623  -3.014  -7.280
  105   2HB   CYS  14          HB1       CYS  14   3.396  -4.700  -7.750
  106    H    PHE  15           HN       PHE  15   7.258  -4.404  -7.379
  107    HA   PHE  15           HA       PHE  15   7.465  -7.034  -8.683
  108   1HB   PHE  15          HB2       PHE  15   9.766  -5.200  -7.977
  109   2HB   PHE  15          HB1       PHE  15   9.917  -6.822  -8.648
  110    HD1  PHE  15           HD1      PHE  15  10.425  -6.920 -10.871
  111    HD2  PHE  15           HD2      PHE  15   8.073  -3.667  -9.462
  112    HE1  PHE  15           HE1      PHE  15  10.374  -5.976 -13.144
  113    HE2  PHE  15           HE2      PHE  15   8.011  -2.721 -11.729
  114    HZ   PHE  15           HZ       PHE  15   9.163  -3.875 -13.575
  115    H    THR  16           HN       THR  16   8.521  -5.155  -5.821
  116    HA   THR  16           HA       THR  16   8.415  -7.675  -4.284
  117    HB   THR  16           HB       THR  16  10.264  -6.859  -2.903
  118    HG1  THR  16           HG1      THR  16   9.851  -4.601  -3.214
  119   1HG2  THR  16          HG21      THR  16  11.306  -6.394  -5.642
  120   2HG2  THR  16          HG22      THR  16  10.641  -7.978  -5.244
  121   3HG2  THR  16          HG23      THR  16  11.990  -7.327  -4.313
  122    H    ASN  17           HN       ASN  17   7.574  -7.610  -2.210
  123    HA   ASN  17           HA       ASN  17   5.419  -6.109  -1.576
  124   1HB   ASN  17          HB2       ASN  17   7.472  -7.123   0.408
  125   2HB   ASN  17          HB1       ASN  17   5.790  -6.742   0.765
  126   1HD2  ASN  17          HD21      ASN  17   4.572  -8.480   0.941
  127   2HD2  ASN  17          HD22      ASN  17   4.762  -9.948   0.051
  128    H    ALA  18           HN       ALA  18   8.776  -5.175  -0.959
  129    HA   ALA  18           HA       ALA  18   8.427  -3.006   0.727
  130   1HB   ALA  18          HB1       ALA  18  10.563  -2.153  -0.276
  131   2HB   ALA  18          HB2       ALA  18  10.471  -3.480  -1.434
  132   3HB   ALA  18          HB3       ALA  18  10.617  -3.822   0.291
  133    H    SER  19           HN       SER  19   7.798  -3.197  -2.726
  134    HA   SER  19           HA       SER  19   7.873  -0.547  -3.493
  135   1HB   SER  19          HB2       SER  19   5.907  -2.686  -4.336
  136   2HB   SER  19          HB1       SER  19   6.116  -1.145  -5.162
  137    HG   SER  19           HG       SER  19   8.507  -2.362  -4.836
  138    H    CYS  20           HN       CYS  20   5.115  -2.229  -1.976
  139    HA   CYS  20           HA       CYS  20   3.504   0.149  -1.918
  140   1HB   CYS  20          HB2       CYS  20   3.159  -2.571  -0.657
  141   2HB   CYS  20          HB1       CYS  20   1.976  -1.274  -0.514
  142    H    ASP  21           HN       ASP  21   5.374  -1.688   0.459
  143    HA   ASP  21           HA       ASP  21   4.649  -0.420   2.791
  144   1HB   ASP  21          HB2       ASP  21   6.194  -2.396   2.522
  145   2HB   ASP  21          HB1       ASP  21   7.474  -1.257   2.117
  146    H    ASP  22           HN       ASP  22   7.643   0.442   0.994
  147    HA   ASP  22           HA       ASP  22   8.218   2.854   2.241
  148   1HB   ASP  22          HB2       ASP  22   9.751   1.879   0.623
  149   2HB   ASP  22          HB1       ASP  22   8.576   2.078  -0.670
  150    H    HIS  23           HN       HIS  23   6.509   2.426  -0.793
  151    HA   HIS  23           HA       HIS  23   5.577   4.876  -1.402
  152   1HB   HIS  23          HB2       HIS  23   5.023   3.170  -2.886
  153   2HB   HIS  23          HB1       HIS  23   4.409   2.127  -1.626
  154    HD1  HIS  23           HD1      HIS  23   3.268   5.586  -2.617
  155    HD2  HIS  23           HD2      HIS  23   1.888   1.752  -2.408
  156    HE1  HIS  23           HE1      HIS  23   0.772   5.753  -2.967
  157    HE2  HIS  23           HE2      HIS  23  -0.054   3.405  -2.720
  158    H    CYS  24           HN       CYS  24   3.575   2.635   0.515
  159    HA   CYS  24           HA       CYS  24   1.770   4.611   1.346
  160   1HB   CYS  24          HB2       CYS  24   2.460   1.895   2.409
  161   2HB   CYS  24          HB1       CYS  24   1.305   2.918   3.262
  162    H    LYS  25           HN       LYS  25   4.690   3.394   3.040
  163    HA   LYS  25           HA       LYS  25   4.370   4.902   5.375
  164   1HB   LYS  25          HB2       LYS  25   6.850   3.909   3.978
  165   2HB   LYS  25          HB1       LYS  25   6.918   4.764   5.515
  166   1HG   LYS  25          HG2       LYS  25   5.577   3.057   6.574
  167   2HG   LYS  25          HG1       LYS  25   5.367   2.226   5.031
  168   1HD   LYS  25          HD2       LYS  25   7.717   1.716   4.925
  169   2HD   LYS  25          HD1       LYS  25   8.035   2.694   6.361
  170   1HE   LYS  25          HE2       LYS  25   6.840   1.175   7.756
  171   2HE   LYS  25          HE1       LYS  25   6.214   0.293   6.363
  172   1HZ   LYS  25          HZ1       LYS  25   9.111   0.464   6.996
  173   2HZ   LYS  25          HZ2       LYS  25   8.350  -0.561   5.866
  174   3HZ   LYS  25          HZ3       LYS  25   8.115  -0.797   7.538
  175    H    ASN  26           HN       ASN  26   5.867   5.824   2.300
  176    HA   ASN  26           HA       ASN  26   6.507   8.476   3.294
  177   1HB   ASN  26          HB2       ASN  26   6.978   7.040   0.700
  178   2HB   ASN  26          HB1       ASN  26   7.287   8.754   0.847
  179   1HD2  ASN  26          HD21      ASN  26   8.766   6.037   0.737
  180   2HD2  ASN  26          HD22      ASN  26  10.090   6.347   1.798
  181    H    LYS  27           HN       LYS  27   4.102   7.032   1.119
  182    HA   LYS  27           HA       LYS  27   3.095   9.587   0.234
  183   1HB   LYS  27          HB2       LYS  27   1.968   6.799  -0.001
  184   2HB   LYS  27          HB1       LYS  27   1.214   8.219  -0.710
  185   1HG   LYS  27          HG2       LYS  27   3.935   7.124  -1.373
  186   2HG   LYS  27          HG1       LYS  27   2.467   6.968  -2.346
  187   1HD   LYS  27          HD2       LYS  27   2.396   9.391  -2.645
  188   2HD   LYS  27          HD1       LYS  27   3.837   9.569  -1.630
  189   1HE   LYS  27          HE2       LYS  27   4.421   9.700  -3.988
  190   2HE   LYS  27          HE1       LYS  27   5.123   8.261  -3.246
  191   1HZ   LYS  27          HZ1       LYS  27   2.517   7.772  -4.397
  192   2HZ   LYS  27          HZ2       LYS  27   3.977   6.934  -4.607
  193   3HZ   LYS  27          HZ3       LYS  27   3.657   8.305  -5.542
  194    H    ALA  28           HN       ALA  28   1.623   7.004   2.204
  195    HA   ALA  28           HA       ALA  28   0.176   9.075   3.693
  196   1HB   ALA  28          HB1       ALA  28  -1.444   6.737   3.581
  197   2HB   ALA  28          HB2       ALA  28  -0.986   7.173   1.934
  198   3HB   ALA  28          HB3       ALA  28  -1.791   8.354   2.966
  199    H    HIS  29           HN       HIS  29   1.723   8.849   5.253
  200    HA   HIS  29           HA       HIS  29   3.006   6.997   6.521
  201   1HB   HIS  29          HB2       HIS  29   2.953   9.336   7.236
  202   2HB   HIS  29          HB1       HIS  29   1.373   9.080   7.975
  203    HD1  HIS  29           HD1      HIS  29   4.750   7.341   8.267
  204    HD2  HIS  29           HD2      HIS  29   1.665   8.801  10.632
  205    HE1  HIS  29           HE1      HIS  29   5.450   6.881  10.641
  206    HE2  HIS  29           HE2      HIS  29   3.614   7.873  12.058
  207    H    LEU  30           HN       LEU  30   1.791   5.082   6.081
  208    HA   LEU  30           HA       LEU  30  -0.144   4.362   8.184
  209   1HB   LEU  30          HB2       LEU  30   0.215   3.451   5.385
  210   2HB   LEU  30          HB1       LEU  30  -0.252   2.222   6.545
  211    HG   LEU  30           HG       LEU  30  -2.238   3.565   7.142
  212   1HD1  LEU  30          HD11      LEU  30  -2.865   5.510   6.042
  213   2HD1  LEU  30          HD12      LEU  30  -1.674   5.286   4.763
  214   3HD1  LEU  30          HD13      LEU  30  -1.153   5.750   6.386
  215   1HD2  LEU  30          HD21      LEU  30  -2.693   3.429   4.300
  216   2HD2  LEU  30          HD22      LEU  30  -3.348   2.432   5.599
  217   3HD2  LEU  30          HD23      LEU  30  -1.794   2.025   4.877
  218    H    ILE  31           HN       ILE  31   0.062   1.715   8.419
  219    HA   ILE  31           HA       ILE  31   2.611   1.409   9.721
  220    HB   ILE  31           HB       ILE  31   1.682  -0.732  10.544
  221   1HG1  ILE  31          HG12      ILE  31  -0.820   0.225   9.154
  222   2HG1  ILE  31          HG11      ILE  31   0.146  -1.178   8.710
  223   1HG2  ILE  31          HG21      ILE  31   1.534   1.149  11.949
  224   2HG2  ILE  31          HG22      ILE  31  -0.043   0.365  12.004
  225   3HG2  ILE  31          HG23      ILE  31   0.187   1.822  11.036
  226   1HD1  ILE  31          HD11      ILE  31  -1.392  -0.806  11.266
  227   2HD1  ILE  31          HD12      ILE  31  -0.395  -2.207  10.869
  228   3HD1  ILE  31          HD13      ILE  31  -1.835  -1.848   9.914
  229    H    SER  32           HN       SER  32   0.855  -0.301   7.137
  230    HA   SER  32           HA       SER  32   3.403  -1.236   6.079
  231   1HB   SER  32          HB2       SER  32   1.216  -3.157   6.917
  232   2HB   SER  32          HB1       SER  32   2.659  -3.597   6.003
  233    HG   SER  32           HG       SER  32   2.528  -2.607   8.659
  234    H    GLY  33           HN       GLY  33   3.004  -2.597   4.006
  235   1HA   GLY  33          HA2       GLY  33   0.526  -2.042   2.603
  236   2HA   GLY  33          HA1       GLY  33   1.906  -1.126   2.014
  237    H    THR  34           HN       THR  34   0.122  -3.583   1.120
  238    HA   THR  34           HA       THR  34   2.412  -5.141   0.091
  239    HB   THR  34           HB       THR  34  -0.304  -6.172   0.924
  240    HG1  THR  34           HG1      THR  34   0.919  -6.019   2.713
  241   1HG2  THR  34          HG21      THR  34   0.140  -8.232   0.113
  242   2HG2  THR  34          HG22      THR  34   1.887  -8.029   0.232
  243   3HG2  THR  34          HG23      THR  34   1.001  -7.287  -1.100
  244    H    CYS  35           HN       CYS  35   2.331  -5.863  -2.040
  245    HA   CYS  35           HA       CYS  35   0.675  -4.284  -3.808
  246   1HB   CYS  35          HB2       CYS  35   2.827  -6.330  -4.361
  247   2HB   CYS  35          HB1       CYS  35   1.964  -5.452  -5.623
  248    H    HIS  36           HN       HIS  36  -1.053  -4.876  -4.927
  249    HA   HIS  36           HA       HIS  36  -1.788  -7.733  -5.075
  250   1HB   HIS  36          HB2       HIS  36  -3.569  -5.409  -4.331
  251   2HB   HIS  36          HB1       HIS  36  -4.183  -6.993  -4.782
  252    HD1  HIS  36           HD1      HIS  36  -3.219  -8.999  -3.173
  253    HD2  HIS  36           HD2      HIS  36  -3.119  -5.133  -1.695
  254    HE1  HIS  36           HE1      HIS  36  -3.065  -9.244  -0.681
  255    HE2  HIS  36           HE2      HIS  36  -3.142  -6.890   0.211
  256    H    ASN  37           HN       ASN  37  -1.530  -8.126  -7.231
  257    HA   ASN  37           HA       ASN  37  -1.656  -7.883  -9.509
  258   1HB   ASN  37          HB2       ASN  37  -4.345  -6.720  -8.742
  259   2HB   ASN  37          HB1       ASN  37  -3.907  -7.316 -10.343
  260   1HD2  ASN  37          HD21      ASN  37  -5.409  -8.099  -7.518
  261   2HD2  ASN  37          HD22      ASN  37  -5.350  -9.820  -7.642
  262    H    TRP  38           HN       TRP  38   0.026  -6.066  -8.861
  263    HA   TRP  38           HA       TRP  38   1.018  -4.108  -9.447
  264   1HB   TRP  38          HB2       TRP  38  -1.273  -4.028 -11.399
  265   2HB   TRP  38          HB1       TRP  38  -0.048  -2.775 -11.338
  266    HD1  TRP  38           HD1      TRP  38   1.535  -3.053 -13.257
  267    HE1  TRP  38           HE1      TRP  38   2.663  -5.001 -14.503
  268    HE3  TRP  38           HE3      TRP  38  -0.519  -7.000 -10.712
  269    HZ2  TRP  38           HZ2      TRP  38   2.686  -7.801 -14.433
  270    HZ3  TRP  38           HZ3      TRP  38   0.115  -9.276 -11.373
  271    HH2  TRP  38           HH2      TRP  38   1.683  -9.671 -13.199
  272    H    LYS  39           HN       LYS  39  -1.386  -4.207  -7.444
  273    HA   LYS  39           HA       LYS  39  -1.721  -1.276  -7.281
  274   1HB   LYS  39          HB2       LYS  39  -3.715  -3.413  -6.512
  275   2HB   LYS  39          HB1       LYS  39  -3.942  -1.685  -6.273
  276   1HG   LYS  39          HG2       LYS  39  -3.881  -1.348  -8.692
  277   2HG   LYS  39          HG1       LYS  39  -3.638  -3.081  -8.926
  278   1HD   LYS  39          HD2       LYS  39  -5.797  -3.524  -7.846
  279   2HD   LYS  39          HD1       LYS  39  -6.041  -1.790  -7.631
  280   1HE   LYS  39          HE2       LYS  39  -5.985  -1.490 -10.067
  281   2HE   LYS  39          HE1       LYS  39  -5.765  -3.230 -10.268
  282   1HZ   LYS  39          HZ1       LYS  39  -8.090  -2.501 -10.559
  283   2HZ   LYS  39          HZ2       LYS  39  -8.120  -1.979  -8.951
  284   3HZ   LYS  39          HZ3       LYS  39  -7.916  -3.620  -9.302
  285    H    CYS  40           HN       CYS  40  -2.037  -0.437  -5.028
  286    HA   CYS  40           HA       CYS  40  -0.653  -2.156  -3.083
  287   1HB   CYS  40          HB2       CYS  40  -0.468   0.810  -3.542
  288   2HB   CYS  40          HB1       CYS  40  -0.060   0.098  -1.985
  289    H    PHE  41           HN       PHE  41  -1.828  -2.865  -1.498
  290    HA   PHE  41           HA       PHE  41  -4.083  -1.228  -0.507
  291   1HB   PHE  41          HB2       PHE  41  -3.756  -4.236  -0.326
  292   2HB   PHE  41          HB1       PHE  41  -5.119  -3.303   0.280
  293    HD1  PHE  41           HD1      PHE  41  -6.980  -3.870  -0.920
  294    HD2  PHE  41           HD2      PHE  41  -3.329  -3.261  -3.011
  295    HE1  PHE  41           HE1      PHE  41  -8.146  -4.220  -3.050
  296    HE2  PHE  41           HE2      PHE  41  -4.493  -3.605  -5.137
  297    HZ   PHE  41           HZ       PHE  41  -6.904  -4.075  -5.171
  298    H    CYS  42           HN       CYS  42  -3.337  -0.192   1.270
  299    HA   CYS  42           HA       CYS  42  -1.596  -1.692   3.089
  300   1HB   CYS  42          HB2       CYS  42  -1.929   1.274   2.641
  301   2HB   CYS  42          HB1       CYS  42  -0.939   0.573   3.919
  302    H    THR  43           HN       THR  43  -1.823  -1.166   5.427
  303    HA   THR  43           HA       THR  43  -4.669  -1.041   6.123
  304    HB   THR  43           HB       THR  43  -3.879  -2.149   8.250
  305    HG1  THR  43           HG1      THR  43  -1.833  -3.129   8.149
  306   1HG2  THR  43          HG21      THR  43  -3.937  -4.301   7.412
  307   2HG2  THR  43          HG22      THR  43  -3.121  -3.843   5.916
  308   3HG2  THR  43          HG23      THR  43  -4.796  -3.364   6.191
  309    H    GLN  44           HN       GLN  44  -5.447   0.325   7.606
  310    HA   GLN  44           HA       GLN  44  -3.582   2.138   8.983
  311   1HB   GLN  44          HB2       GLN  44  -4.485   3.210   6.913
  312   2HB   GLN  44          HB1       GLN  44  -6.107   3.012   7.557
  313   1HG   GLN  44          HG2       GLN  44  -5.547   4.474   9.430
  314   2HG   GLN  44          HG1       GLN  44  -3.911   4.661   8.799
  315   1HE2  GLN  44          HE21      GLN  44  -6.654   6.271   9.098
  316   2HE2  GLN  44          HE22      GLN  44  -6.631   7.224   7.659
  317    H    ASN  45           HN       ASN  45  -4.347   2.963  10.971
  318    HA   ASN  45           HA       ASN  45  -5.918   1.242  12.508
  319   1HB   ASN  45          HB2       ASN  45  -5.337   4.166  13.052
  320   2HB   ASN  45          HB1       ASN  45  -5.805   2.952  14.239
  321   1HD2  ASN  45          HD21      ASN  45  -3.260   4.619  13.093
  322   2HD2  ASN  45          HD22      ASN  45  -1.987   3.526  13.494
  323    H    CYS  46           HN       CYS  46  -8.070   1.183  13.058
  324    HA   CYS  46           HA       CYS  46  -9.856   3.368  12.580
  325   1HB   CYS  46          HB2       CYS  46 -11.267   2.280  10.887
  326   2HB   CYS  46          HB1       CYS  46  -9.640   2.584  10.277
  Start of MODEL    7
    1   1H    LYS   1          HT1       LYS   1 -10.276  -5.211  15.184
    2   2H    LYS   1          HT2       LYS   1  -9.686  -3.630  15.022
    3   3H    LYS   1          HT3       LYS   1  -8.616  -4.911  15.300
    4    HA   LYS   1           HA       LYS   1  -8.822  -5.762  13.179
    5   1HB   LYS   1          HB2       LYS   1 -10.654  -4.897  11.638
    6   2HB   LYS   1          HB1       LYS   1 -11.175  -5.901  12.979
    7   1HG   LYS   1          HG2       LYS   1 -11.856  -3.904  14.215
    8   2HG   LYS   1          HG1       LYS   1 -11.324  -2.892  12.870
    9   1HD   LYS   1          HD2       LYS   1 -12.981  -3.855  11.415
   10   2HD   LYS   1          HD1       LYS   1 -13.426  -5.052  12.632
   11   1HE   LYS   1          HE2       LYS   1 -13.752  -2.066  12.932
   12   2HE   LYS   1          HE1       LYS   1 -15.039  -3.180  12.463
   13   1HZ   LYS   1          HZ1       LYS   1 -13.740  -2.832  15.080
   14   2HZ   LYS   1          HZ2       LYS   1 -14.337  -4.363  14.676
   15   3HZ   LYS   1          HZ3       LYS   1 -15.381  -3.033  14.713
   16    H    THR   2           HN       THR   2  -8.854  -4.443  10.870
   17    HA   THR   2           HA       THR   2  -7.633  -1.810  11.261
   18    HB   THR   2           HB       THR   2  -5.680  -2.401   9.883
   19    HG1  THR   2           HG1      THR   2  -5.610  -4.231   8.874
   20   1HG2  THR   2          HG21      THR   2  -4.752  -4.283  11.503
   21   2HG2  THR   2          HG22      THR   2  -6.133  -3.764  12.467
   22   3HG2  THR   2          HG23      THR   2  -4.901  -2.596  11.993
   23    H    CYS   3           HN       CYS   3  -7.332  -0.611   9.232
   24    HA   CYS   3           HA       CYS   3  -9.309  -1.467   7.210
   25   1HB   CYS   3          HB2       CYS   3  -8.422   1.305   8.017
   26   2HB   CYS   3          HB1       CYS   3  -9.437   0.976   6.616
   27    H    GLU   4           HN       GLU   4  -8.754  -1.676   5.140
   28    HA   GLU   4           HA       GLU   4  -5.974  -1.054   4.403
   29   1HB   GLU   4          HB2       GLU   4  -7.835  -3.184   3.341
   30   2HB   GLU   4          HB1       GLU   4  -6.282  -2.791   2.614
   31   1HG   GLU   4          HG2       GLU   4  -5.170  -3.382   4.722
   32   2HG   GLU   4          HG1       GLU   4  -6.731  -3.832   5.403
   33    H    HIS   5           HN       HIS   5  -5.579   0.331   2.821
   34    HA   HIS   5           HA       HIS   5  -7.737   1.015   0.945
   35   1HB   HIS   5          HB2       HIS   5  -6.065   3.006   2.496
   36   2HB   HIS   5          HB1       HIS   5  -7.127   3.428   1.160
   37    HD1  HIS   5           HD1      HIS   5  -9.729   2.324   1.691
   38    HD2  HIS   5           HD2      HIS   5  -7.283   3.497   4.835
   39    HE1  HIS   5           HE1      HIS   5 -11.277   2.705   3.639
   40    HE2  HIS   5           HE2      HIS   5  -9.787   3.570   5.479
   41    H    LEU   6           HN       LEU   6  -7.100   1.228  -1.123
   42    HA   LEU   6           HA       LEU   6  -4.309   0.733  -1.753
   43   1HB   LEU   6          HB2       LEU   6  -5.947  -0.578  -2.920
   44   2HB   LEU   6          HB1       LEU   6  -6.800   0.860  -3.454
   45    HG   LEU   6           HG       LEU   6  -4.036   0.036  -4.362
   46   1HD1  LEU   6          HD11      LEU   6  -6.022   0.050  -6.404
   47   2HD1  LEU   6          HD12      LEU   6  -6.589  -0.950  -5.067
   48   3HD1  LEU   6          HD13      LEU   6  -5.037  -1.297  -5.831
   49   1HD2  LEU   6          HD21      LEU   6  -5.082   1.740  -6.223
   50   2HD2  LEU   6          HD22      LEU   6  -3.934   2.197  -4.966
   51   3HD2  LEU   6          HD23      LEU   6  -5.662   2.448  -4.716
   52    H    ALA   7           HN       ALA   7  -2.906   2.152  -2.569
   53    HA   ALA   7           HA       ALA   7  -3.684   4.949  -2.613
   54   1HB   ALA   7          HB1       ALA   7  -0.976   4.745  -3.311
   55   2HB   ALA   7          HB2       ALA   7  -1.266   3.485  -2.111
   56   3HB   ALA   7          HB3       ALA   7  -1.661   5.165  -1.741
   57    H    ASP   8           HN       ASP   8  -4.484   5.824  -4.369
   58    HA   ASP   8           HA       ASP   8  -4.332   4.756  -6.969
   59   1HB   ASP   8          HB2       ASP   8  -5.064   7.555  -6.097
   60   2HB   ASP   8          HB1       ASP   8  -5.409   6.849  -7.670
   61    H    THR   9           HN       THR   9  -2.166   6.911  -5.300
   62    HA   THR   9           HA       THR   9  -0.841   7.580  -7.841
   63    HB   THR   9           HB       THR   9   0.325   9.349  -6.607
   64    HG1  THR   9           HG1      THR   9   0.249   8.152  -4.561
   65   1HG2  THR   9          HG21      THR   9  -2.411   9.786  -5.614
   66   2HG2  THR   9          HG22      THR   9  -2.221   9.539  -7.350
   67   3HG2  THR   9          HG23      THR   9  -1.353  10.845  -6.541
   68    H    TYR  10           HN       TYR  10  -0.175   5.300  -7.772
   69    HA   TYR  10           HA       TYR  10   2.180   4.852  -6.070
   70   1HB   TYR  10          HB2       TYR  10   0.360   3.184  -5.832
   71   2HB   TYR  10          HB1       TYR  10   0.452   2.839  -7.555
   72    HD1  TYR  10           HD1      TYR  10   1.189   0.661  -7.766
   73    HD2  TYR  10           HD2      TYR  10   3.145   3.242  -5.015
   74    HE1  TYR  10           HE1      TYR  10   2.905  -1.061  -7.372
   75    HE2  TYR  10           HE2      TYR  10   4.860   1.526  -4.607
   76    HH   TYR  10           HH       TYR  10   5.543  -0.859  -6.505
   77    H    ARG  11           HN       ARG  11   3.553   2.975  -7.638
   78    HA   ARG  11           HA       ARG  11   4.361   4.614  -9.902
   79   1HB   ARG  11          HB2       ARG  11   5.952   2.380  -8.679
   80   2HB   ARG  11          HB1       ARG  11   6.528   3.729  -9.649
   81   1HG   ARG  11          HG2       ARG  11   5.866   5.241  -7.748
   82   2HG   ARG  11          HG1       ARG  11   5.576   3.780  -6.793
   83   1HD   ARG  11          HD2       ARG  11   7.845   3.100  -6.992
   84   2HD   ARG  11          HD1       ARG  11   8.194   4.365  -8.175
   85    HE   ARG  11           HE       ARG  11   7.291   5.604  -5.854
   86   1HH1  ARG  11          HH11      ARG  11   9.983   3.685  -6.877
   87   2HH1  ARG  11          HH12      ARG  11  11.101   4.431  -5.792
   88   1HH2  ARG  11          HH21      ARG  11   8.755   6.595  -4.408
   89   2HH2  ARG  11          HH22      ARG  11  10.406   6.085  -4.393
   90    H    GLY  12           HN       GLY  12   2.110   2.799 -10.082
   91   1HA   GLY  12          HA2       GLY  12   1.339   1.487 -11.844
   92   2HA   GLY  12          HA1       GLY  12   3.006   1.223 -12.352
   93    H    VAL  13           HN       VAL  13   3.827  -0.734 -12.003
   94    HA   VAL  13           HA       VAL  13   2.288  -2.747 -10.648
   95    HB   VAL  13           HB       VAL  13   5.074  -2.908 -11.808
   96   1HG1  VAL  13          HG11      VAL  13   3.180  -5.133 -11.069
   97   2HG1  VAL  13          HG12      VAL  13   4.624  -4.676 -10.164
   98   3HG1  VAL  13          HG13      VAL  13   4.775  -5.314 -11.800
   99   1HG2  VAL  13          HG21      VAL  13   2.356  -3.289 -12.969
  100   2HG2  VAL  13          HG22      VAL  13   3.720  -4.215 -13.596
  101   3HG2  VAL  13          HG23      VAL  13   3.758  -2.453 -13.638
  102    H    CYS  14           HN       CYS  14   2.879  -3.938  -8.775
  103    HA   CYS  14           HA       CYS  14   4.219  -2.363  -6.780
  104   1HB   CYS  14          HB2       CYS  14   2.235  -3.714  -6.235
  105   2HB   CYS  14          HB1       CYS  14   3.153  -5.182  -6.569
  106    H    PHE  15           HN       PHE  15   4.951  -5.451  -8.358
  107    HA   PHE  15           HA       PHE  15   6.897  -6.536  -8.762
  108   1HB   PHE  15          HB2       PHE  15   8.165  -4.072  -7.572
  109   2HB   PHE  15          HB1       PHE  15   9.077  -5.414  -8.258
  110    HD1  PHE  15           HD1      PHE  15   9.535  -5.482 -10.535
  111    HD2  PHE  15           HD2      PHE  15   6.554  -2.819  -9.081
  112    HE1  PHE  15           HE1      PHE  15   9.413  -4.413 -12.748
  113    HE2  PHE  15           HE2      PHE  15   6.422  -1.750 -11.293
  114    HZ   PHE  15           HZ       PHE  15   7.854  -2.547 -13.129
  115    H    THR  16           HN       THR  16   7.261  -4.885  -5.606
  116    HA   THR  16           HA       THR  16   7.397  -7.506  -4.299
  117    HB   THR  16           HB       THR  16   9.473  -7.003  -3.122
  118    HG1  THR  16           HG1      THR  16   9.334  -4.582  -4.577
  119   1HG2  THR  16          HG21      THR  16  11.095  -7.099  -4.930
  120   2HG2  THR  16          HG22      THR  16   9.839  -6.659  -6.086
  121   3HG2  THR  16          HG23      THR  16   9.740  -8.191  -5.219
  122    H    ASN  17           HN       ASN  17   6.851  -7.494  -2.105
  123    HA   ASN  17           HA       ASN  17   5.003  -5.722  -1.170
  124   1HB   ASN  17          HB2       ASN  17   7.013  -7.294   0.455
  125   2HB   ASN  17          HB1       ASN  17   5.540  -6.573   1.099
  126   1HD2  ASN  17          HD21      ASN  17   3.949  -7.947   1.333
  127   2HD2  ASN  17          HD22      ASN  17   3.661  -9.348   0.366
  128    H    ALA  18           HN       ALA  18   8.511  -5.516  -0.727
  129    HA   ALA  18           HA       ALA  18   8.702  -3.381   1.028
  130   1HB   ALA  18          HB1       ALA  18  10.460  -4.339  -1.206
  131   2HB   ALA  18          HB2       ALA  18  10.703  -4.471   0.537
  132   3HB   ALA  18          HB3       ALA  18  10.887  -2.909  -0.263
  133    H    SER  19           HN       SER  19   8.112  -3.370  -2.448
  134    HA   SER  19           HA       SER  19   8.491  -0.660  -2.989
  135   1HB   SER  19          HB2       SER  19   6.561  -2.601  -4.283
  136   2HB   SER  19          HB1       SER  19   7.057  -1.053  -4.965
  137    HG   SER  19           HG       SER  19   9.008  -1.848  -5.404
  138    H    CYS  20           HN       CYS  20   5.677  -2.290  -1.582
  139    HA   CYS  20           HA       CYS  20   4.019   0.065  -1.810
  140   1HB   CYS  20          HB2       CYS  20   3.581  -2.589  -0.474
  141   2HB   CYS  20          HB1       CYS  20   2.397  -1.301  -0.461
  142    H    ASP  21           HN       ASP  21   5.694  -1.617   0.862
  143    HA   ASP  21           HA       ASP  21   4.704  -0.196   3.005
  144   1HB   ASP  21          HB2       ASP  21   6.221  -2.065   3.299
  145   2HB   ASP  21          HB1       ASP  21   7.540  -1.162   2.571
  146    H    ASP  22           HN       ASP  22   7.814   0.644   1.464
  147    HA   ASP  22           HA       ASP  22   8.252   3.138   2.529
  148   1HB   ASP  22          HB2       ASP  22   9.840   2.102   0.996
  149   2HB   ASP  22          HB1       ASP  22   8.693   2.217  -0.329
  150    H    HIS  23           HN       HIS  23   6.589   2.474  -0.489
  151    HA   HIS  23           HA       HIS  23   5.588   4.929  -1.167
  152   1HB   HIS  23          HB2       HIS  23   5.397   3.012  -2.593
  153   2HB   HIS  23          HB1       HIS  23   4.441   2.153  -1.419
  154    HD1  HIS  23           HD1      HIS  23   3.793   5.620  -2.832
  155    HD2  HIS  23           HD2      HIS  23   2.190   1.824  -2.812
  156    HE1  HIS  23           HE1      HIS  23   1.494   5.847  -3.858
  157    HE2  HIS  23           HE2      HIS  23   0.535   3.524  -3.811
  158    H    CYS  24           HN       CYS  24   3.887   2.487   0.782
  159    HA   CYS  24           HA       CYS  24   1.684   4.055   1.498
  160   1HB   CYS  24          HB2       CYS  24   3.063   1.756   2.862
  161   2HB   CYS  24          HB1       CYS  24   1.633   2.513   3.557
  162    H    LYS  25           HN       LYS  25   4.691   3.536   3.371
  163    HA   LYS  25           HA       LYS  25   4.050   5.252   5.487
  164   1HB   LYS  25          HB2       LYS  25   6.743   4.479   4.382
  165   2HB   LYS  25          HB1       LYS  25   6.512   5.328   5.905
  166   1HG   LYS  25          HG2       LYS  25   5.225   3.439   6.767
  167   2HG   LYS  25          HG1       LYS  25   5.444   2.590   5.234
  168   1HD   LYS  25          HD2       LYS  25   7.860   2.572   5.574
  169   2HD   LYS  25          HD1       LYS  25   7.664   3.453   7.092
  170   1HE   LYS  25          HE2       LYS  25   6.489   1.629   8.082
  171   2HE   LYS  25          HE1       LYS  25   6.396   0.781   6.541
  172   1HZ   LYS  25          HZ1       LYS  25   8.590   0.936   8.436
  173   2HZ   LYS  25          HZ2       LYS  25   9.040   1.062   6.809
  174   3HZ   LYS  25          HZ3       LYS  25   8.180  -0.291   7.343
  175    H    ASN  26           HN       ASN  26   5.625   6.009   2.405
  176    HA   ASN  26           HA       ASN  26   6.019   8.766   3.219
  177   1HB   ASN  26          HB2       ASN  26   6.767   7.214   0.754
  178   2HB   ASN  26          HB1       ASN  26   7.023   8.939   0.874
  179   1HD2  ASN  26          HD21      ASN  26   8.590   6.280   0.968
  180   2HD2  ASN  26          HD22      ASN  26   9.784   6.638   2.159
  181    H    LYS  27           HN       LYS  27   3.750   6.994   1.172
  182    HA   LYS  27           HA       LYS  27   2.693   9.486   0.072
  183   1HB   LYS  27          HB2       LYS  27   1.937   6.597  -0.333
  184   2HB   LYS  27          HB1       LYS  27   1.008   7.920  -1.025
  185   1HG   LYS  27          HG2       LYS  27   3.914   7.331  -1.555
  186   2HG   LYS  27          HG1       LYS  27   2.564   6.967  -2.638
  187   1HD   LYS  27          HD2       LYS  27   2.040   9.401  -2.701
  188   2HD   LYS  27          HD1       LYS  27   3.487   9.703  -1.737
  189   1HE   LYS  27          HE2       LYS  27   4.845   8.668  -3.524
  190   2HE   LYS  27          HE1       LYS  27   3.382   8.459  -4.489
  191   1HZ   LYS  27          HZ1       LYS  27   4.822  10.932  -3.819
  192   2HZ   LYS  27          HZ2       LYS  27   3.153  11.013  -4.090
  193   3HZ   LYS  27          HZ3       LYS  27   4.181  10.432  -5.304
  194    H    ALA  28           HN       ALA  28   1.338   6.802   2.005
  195    HA   ALA  28           HA       ALA  28  -0.547   8.735   3.165
  196   1HB   ALA  28          HB1       ALA  28  -1.461   5.942   3.039
  197   2HB   ALA  28          HB2       ALA  28  -1.343   6.773   1.488
  198   3HB   ALA  28          HB3       ALA  28  -2.348   7.443   2.774
  199    H    HIS  29           HN       HIS  29   0.874   9.018   4.817
  200    HA   HIS  29           HA       HIS  29   2.401   7.740   6.438
  201   1HB   HIS  29          HB2       HIS  29   1.626  10.051   6.789
  202   2HB   HIS  29          HB1       HIS  29   0.124   9.434   7.476
  203    HD1  HIS  29           HD1      HIS  29   3.845   9.034   8.197
  204    HD2  HIS  29           HD2      HIS  29   0.202   9.391  10.158
  205    HE1  HIS  29           HE1      HIS  29   4.403   9.057  10.651
  206    HE2  HIS  29           HE2      HIS  29   2.195   9.430  11.806
  207    H    LEU  30           HN       LEU  30   1.693   5.536   6.115
  208    HA   LEU  30           HA       LEU  30   0.076   4.576   8.384
  209   1HB   LEU  30          HB2       LEU  30  -0.044   3.811   5.523
  210   2HB   LEU  30          HB1       LEU  30  -0.196   2.512   6.693
  211    HG   LEU  30           HG       LEU  30  -2.148   3.578   7.680
  212   1HD1  LEU  30          HD11      LEU  30  -3.027   5.606   7.083
  213   2HD1  LEU  30          HD12      LEU  30  -2.207   5.633   5.523
  214   3HD1  LEU  30          HD13      LEU  30  -1.303   5.935   7.001
  215   1HD2  LEU  30          HD21      LEU  30  -2.433   3.510   4.689
  216   2HD2  LEU  30          HD22      LEU  30  -3.684   3.219   5.896
  217   3HD2  LEU  30          HD23      LEU  30  -2.354   2.076   5.713
  218    H    ILE  31           HN       ILE  31   0.550   1.994   8.499
  219    HA   ILE  31           HA       ILE  31   3.286   1.853   9.311
  220    HB   ILE  31           HB       ILE  31   2.731  -0.380  10.146
  221   1HG1  ILE  31          HG12      ILE  31   0.001   0.216   8.998
  222   2HG1  ILE  31          HG11      ILE  31   1.116  -1.046   8.479
  223   1HG2  ILE  31          HG21      ILE  31   2.430   1.285  11.728
  224   2HG2  ILE  31          HG22      ILE  31   0.880   0.445  11.737
  225   3HG2  ILE  31          HG23      ILE  31   1.047   1.978  10.881
  226   1HD1  ILE  31          HD11      ILE  31  -0.169  -0.885  11.192
  227   2HD1  ILE  31          HD12      ILE  31   0.858  -2.186  10.589
  228   3HD1  ILE  31          HD13      ILE  31  -0.721  -1.899   9.859
  229    H    SER  32           HN       SER  32   1.371   0.019   6.902
  230    HA   SER  32           HA       SER  32   3.724  -0.320   5.276
  231   1HB   SER  32          HB2       SER  32   2.562  -2.696   6.736
  232   2HB   SER  32          HB1       SER  32   3.588  -2.856   5.314
  233    HG   SER  32           HG       SER  32   5.190  -1.608   6.527
  234    H    GLY  33           HN       GLY  33   3.170  -2.193   3.551
  235   1HA   GLY  33          HA2       GLY  33   0.393  -2.187   2.700
  236   2HA   GLY  33          HA1       GLY  33   1.480  -1.260   1.673
  237    H    THR  34           HN       THR  34  -0.041  -3.633   0.967
  238    HA   THR  34           HA       THR  34   2.203  -5.437   0.300
  239    HB   THR  34           HB       THR  34  -0.636  -6.194   1.007
  240    HG1  THR  34           HG1      THR  34   0.184  -6.797   2.847
  241   1HG2  THR  34          HG21      THR  34  -0.081  -7.717  -0.693
  242   2HG2  THR  34          HG22      THR  34   0.252  -8.553   0.825
  243   3HG2  THR  34          HG23      THR  34   1.580  -7.876  -0.115
  244    H    CYS  35           HN       CYS  35   2.160  -6.481  -1.710
  245    HA   CYS  35           HA       CYS  35   1.093  -4.973  -3.865
  246   1HB   CYS  35          HB2       CYS  35   2.151  -7.814  -3.899
  247   2HB   CYS  35          HB1       CYS  35   1.938  -6.773  -5.304
  248    H    HIS  36           HN       HIS  36  -0.859  -5.061  -4.800
  249    HA   HIS  36           HA       HIS  36  -2.436  -7.527  -4.748
  250   1HB   HIS  36          HB2       HIS  36  -3.357  -4.907  -3.589
  251   2HB   HIS  36          HB1       HIS  36  -4.484  -6.144  -4.110
  252    HD1  HIS  36           HD1      HIS  36  -3.745  -8.620  -2.876
  253    HD2  HIS  36           HD2      HIS  36  -2.951  -5.033  -0.961
  254    HE1  HIS  36           HE1      HIS  36  -3.585  -9.194  -0.440
  255    HE2  HIS  36           HE2      HIS  36  -3.327  -6.973   0.717
  256    H    ASN  37           HN       ASN  37  -3.325  -7.847  -6.730
  257    HA   ASN  37           HA       ASN  37  -3.816  -7.472  -8.944
  258   1HB   ASN  37          HB2       ASN  37  -5.064  -4.969  -7.777
  259   2HB   ASN  37          HB1       ASN  37  -5.463  -5.695  -9.335
  260   1HD2  ASN  37          HD21      ASN  37  -6.441  -5.410  -6.224
  261   2HD2  ASN  37          HD22      ASN  37  -7.400  -6.840  -6.092
  262    H    TRP  38           HN       TRP  38  -1.225  -6.634  -8.243
  263    HA   TRP  38           HA       TRP  38   0.554  -5.526  -9.105
  264   1HB   TRP  38          HB2       TRP  38  -1.422  -4.512 -11.167
  265   2HB   TRP  38          HB1       TRP  38   0.322  -4.396 -11.280
  266    HD1  TRP  38           HD1      TRP  38  -2.125  -7.288 -10.708
  267    HE1  TRP  38           HE1      TRP  38  -1.440  -9.256 -12.232
  268    HE3  TRP  38           HE3      TRP  38   1.938  -5.172 -12.915
  269    HZ2  TRP  38           HZ2      TRP  38   0.586  -9.818 -14.111
  270    HZ3  TRP  38           HZ3      TRP  38   3.208  -6.483 -14.570
  271    HH2  TRP  38           HH2      TRP  38   2.543  -8.760 -15.153
  272    H    LYS  39           HN       LYS  39  -1.635  -4.189  -7.290
  273    HA   LYS  39           HA       LYS  39  -0.634  -1.424  -7.557
  274   1HB   LYS  39          HB2       LYS  39  -3.305  -2.402  -6.529
  275   2HB   LYS  39          HB1       LYS  39  -2.777  -0.725  -6.512
  276   1HG   LYS  39          HG2       LYS  39  -2.730  -0.647  -8.903
  277   2HG   LYS  39          HG1       LYS  39  -3.052  -2.378  -9.013
  278   1HD   LYS  39          HD2       LYS  39  -5.245  -2.005  -7.932
  279   2HD   LYS  39          HD1       LYS  39  -4.908  -0.275  -7.894
  280   1HE   LYS  39          HE2       LYS  39  -6.366  -0.904  -9.781
  281   2HE   LYS  39          HE1       LYS  39  -4.842  -0.189 -10.309
  282   1HZ   LYS  39          HZ1       LYS  39  -4.633  -3.029 -10.091
  283   2HZ   LYS  39          HZ2       LYS  39  -4.325  -2.028 -11.420
  284   3HZ   LYS  39          HZ3       LYS  39  -5.894  -2.593 -11.138
  285    H    CYS  40           HN       CYS  40  -1.351  -0.318  -5.182
  286    HA   CYS  40           HA       CYS  40  -0.096  -2.030  -3.150
  287   1HB   CYS  40          HB2       CYS  40   0.463   0.837  -3.834
  288   2HB   CYS  40          HB1       CYS  40   0.727   0.233  -2.201
  289    H    PHE  41           HN       PHE  41  -1.292  -2.404  -1.460
  290    HA   PHE  41           HA       PHE  41  -3.446  -0.515  -0.758
  291   1HB   PHE  41          HB2       PHE  41  -3.176  -3.471  -0.156
  292   2HB   PHE  41          HB1       PHE  41  -4.457  -2.441   0.469
  293    HD1  PHE  41           HD1      PHE  41  -3.029  -2.571  -2.981
  294    HD2  PHE  41           HD2      PHE  41  -6.374  -3.284  -0.458
  295    HE1  PHE  41           HE1      PHE  41  -4.400  -3.080  -4.952
  296    HE2  PHE  41           HE2      PHE  41  -7.755  -3.795  -2.423
  297    HZ   PHE  41           HZ       PHE  41  -6.770  -3.685  -4.679
  298    H    CYS  42           HN       CYS  42  -3.320   0.498   1.169
  299    HA   CYS  42           HA       CYS  42  -1.106  -0.269   2.949
  300   1HB   CYS  42          HB2       CYS  42  -2.583   2.368   2.735
  301   2HB   CYS  42          HB1       CYS  42  -1.155   2.044   3.705
  302    H    THR  43           HN       THR  43  -1.481  -0.566   5.154
  303    HA   THR  43           HA       THR  43  -4.307  -0.861   5.902
  304    HB   THR  43           HB       THR  43  -3.426  -2.409   7.639
  305    HG1  THR  43           HG1      THR  43  -1.349  -2.733   7.869
  306   1HG2  THR  43          HG21      THR  43  -4.020  -3.830   6.015
  307   2HG2  THR  43          HG22      THR  43  -2.279  -4.012   5.806
  308   3HG2  THR  43          HG23      THR  43  -3.181  -2.911   4.766
  309    H    GLN  44           HN       GLN  44  -5.147   0.129   7.635
  310    HA   GLN  44           HA       GLN  44  -3.362   1.586   9.465
  311   1HB   GLN  44          HB2       GLN  44  -4.199   3.198   7.787
  312   2HB   GLN  44          HB1       GLN  44  -5.851   2.763   8.205
  313   1HG   GLN  44          HG2       GLN  44  -5.478   3.574  10.489
  314   2HG   GLN  44          HG1       GLN  44  -3.833   4.027  10.052
  315   1HE2  GLN  44          HE21      GLN  44  -6.752   5.256  10.621
  316   2HE2  GLN  44          HE22      GLN  44  -6.709   6.652   9.606
  317    H    ASN  45           HN       ASN  45  -4.058   1.697  11.568
  318    HA   ASN  45           HA       ASN  45  -5.773  -0.295  12.542
  319   1HB   ASN  45          HB2       ASN  45  -4.923   2.261  13.936
  320   2HB   ASN  45          HB1       ASN  45  -5.477   0.780  14.712
  321   1HD2  ASN  45          HD21      ASN  45  -3.852  -0.286  15.611
  322   2HD2  ASN  45          HD22      ASN  45  -2.257  -0.427  14.966
  323    H    CYS  46           HN       CYS  46  -7.913  -0.301  13.214
  324    HA   CYS  46           HA       CYS  46  -9.506   2.022  13.540
  325   1HB   CYS  46          HB2       CYS  46 -10.960   1.829  11.578
  326   2HB   CYS  46          HB1       CYS  46  -9.291   2.147  11.099
  Start of MODEL    8
    1   1H    LYS   1          HT1       LYS   1  -9.469  -7.287  12.927
    2   2H    LYS   1          HT2       LYS   1  -7.944  -6.560  12.870
    3   3H    LYS   1          HT3       LYS   1  -8.956  -6.500  11.524
    4    HA   LYS   1           HA       LYS   1 -10.526  -5.115  12.681
    5   1HB   LYS   1          HB2       LYS   1  -8.552  -5.324  14.973
    6   2HB   LYS   1          HB1       LYS   1 -10.000  -4.328  14.958
    7   1HG   LYS   1          HG2       LYS   1 -11.379  -6.355  14.777
    8   2HG   LYS   1          HG1       LYS   1  -9.915  -7.340  14.846
    9   1HD   LYS   1          HD2       LYS   1  -9.408  -6.399  17.065
   10   2HD   LYS   1          HD1       LYS   1 -10.898  -5.457  16.994
   11   1HE   LYS   1          HE2       LYS   1 -11.228  -7.455  18.331
   12   2HE   LYS   1          HE1       LYS   1 -12.195  -7.536  16.857
   13   1HZ   LYS   1          HZ1       LYS   1 -10.992  -9.260  16.054
   14   2HZ   LYS   1          HZ2       LYS   1 -10.668  -9.536  17.690
   15   3HZ   LYS   1          HZ3       LYS   1  -9.533  -8.730  16.731
   16    H    THR   2           HN       THR   2  -9.236  -4.376  10.683
   17    HA   THR   2           HA       THR   2  -8.011  -1.837  11.330
   18    HB   THR   2           HB       THR   2  -6.013  -2.273   9.898
   19    HG1  THR   2           HG1      THR   2  -5.509  -4.502   9.531
   20   1HG2  THR   2          HG21      THR   2  -4.700  -3.081  11.559
   21   2HG2  THR   2          HG22      THR   2  -5.835  -4.361  11.990
   22   3HG2  THR   2          HG23      THR   2  -6.140  -2.700  12.499
   23    H    CYS   3           HN       CYS   3  -7.580  -0.534   9.361
   24    HA   CYS   3           HA       CYS   3  -9.539  -1.211   7.263
   25   1HB   CYS   3          HB2       CYS   3  -8.521   1.481   8.184
   26   2HB   CYS   3          HB1       CYS   3  -9.596   1.246   6.810
   27    H    GLU   4           HN       GLU   4  -8.887  -1.498   5.248
   28    HA   GLU   4           HA       GLU   4  -6.105  -0.817   4.563
   29   1HB   GLU   4          HB2       GLU   4  -7.886  -2.986   3.438
   30   2HB   GLU   4          HB1       GLU   4  -6.265  -2.619   2.862
   31   1HG   GLU   4          HG2       GLU   4  -5.373  -3.175   5.078
   32   2HG   GLU   4          HG1       GLU   4  -6.996  -3.579   5.619
   33    H    HIS   5           HN       HIS   5  -5.682   0.440   2.822
   34    HA   HIS   5           HA       HIS   5  -7.858   1.039   0.945
   35   1HB   HIS   5          HB2       HIS   5  -6.272   3.129   2.449
   36   2HB   HIS   5          HB1       HIS   5  -7.325   3.476   1.083
   37    HD1  HIS   5           HD1      HIS   5  -9.887   2.295   1.603
   38    HD2  HIS   5           HD2      HIS   5  -7.546   3.662   4.747
   39    HE1  HIS   5           HE1      HIS   5 -11.483   2.668   3.512
   40    HE2  HIS   5           HE2      HIS   5 -10.058   3.607   5.367
   41    H    LEU   6           HN       LEU   6  -7.232   1.388  -1.120
   42    HA   LEU   6           HA       LEU   6  -4.423   0.947  -1.763
   43   1HB   LEU   6          HB2       LEU   6  -6.059  -0.414  -2.903
   44   2HB   LEU   6          HB1       LEU   6  -6.926   1.009  -3.456
   45    HG   LEU   6           HG       LEU   6  -4.148   0.213  -4.348
   46   1HD1  LEU   6          HD11      LEU   6  -6.137   0.140  -6.390
   47   2HD1  LEU   6          HD12      LEU   6  -6.674  -0.846  -5.032
   48   3HD1  LEU   6          HD13      LEU   6  -5.117  -1.167  -5.792
   49   1HD2  LEU   6          HD21      LEU   6  -5.248   1.859  -6.246
   50   2HD2  LEU   6          HD22      LEU   6  -4.069   2.349  -5.030
   51   3HD2  LEU   6          HD23      LEU   6  -5.791   2.599  -4.742
   52    H    ALA   7           HN       ALA   7  -3.089   2.560  -2.238
   53    HA   ALA   7           HA       ALA   7  -4.102   5.254  -2.472
   54   1HB   ALA   7          HB1       ALA   7  -1.242   4.971  -2.871
   55   2HB   ALA   7          HB2       ALA   7  -1.808   4.141  -1.421
   56   3HB   ALA   7          HB3       ALA   7  -2.137   5.861  -1.637
   57    H    ASP   8           HN       ASP   8  -4.550   6.256  -4.259
   58    HA   ASP   8           HA       ASP   8  -4.117   5.158  -6.848
   59   1HB   ASP   8          HB2       ASP   8  -5.103   7.322  -7.620
   60   2HB   ASP   8          HB1       ASP   8  -6.080   6.492  -6.413
   61    H    THR   9           HN       THR   9  -2.033   6.931  -4.858
   62    HA   THR   9           HA       THR   9  -0.631   8.088  -7.162
   63    HB   THR   9           HB       THR   9  -0.209   8.682  -4.219
   64    HG1  THR   9           HG1      THR   9  -2.259   9.427  -5.674
   65   1HG2  THR   9          HG21      THR   9   0.592  10.342  -6.581
   66   2HG2  THR   9          HG22      THR   9   1.688   9.232  -5.756
   67   3HG2  THR   9          HG23      THR   9   0.997  10.603  -4.886
   68    H    TYR  10           HN       TYR  10  -0.309   5.561  -7.272
   69    HA   TYR  10           HA       TYR  10   2.217   4.846  -5.947
   70   1HB   TYR  10          HB2       TYR  10   0.422   3.272  -5.459
   71   2HB   TYR  10          HB1       TYR  10   0.054   3.101  -7.171
   72    HD1  TYR  10           HD1      TYR  10   0.778   1.169  -8.169
   73    HD2  TYR  10           HD2      TYR  10   3.037   2.739  -4.925
   74    HE1  TYR  10           HE1      TYR  10   2.345  -0.712  -8.355
   75    HE2  TYR  10           HE2      TYR  10   4.609   0.857  -5.105
   76    HH   TYR  10           HH       TYR  10   4.829  -1.082  -7.759
   77    H    ARG  11           HN       ARG  11   3.527   3.280  -7.438
   78    HA   ARG  11           HA       ARG  11   3.806   4.577 -10.032
   79   1HB   ARG  11          HB2       ARG  11   6.152   3.560  -9.875
   80   2HB   ARG  11          HB1       ARG  11   5.766   4.914  -8.821
   81   1HG   ARG  11          HG2       ARG  11   5.303   3.332  -6.995
   82   2HG   ARG  11          HG1       ARG  11   5.776   1.999  -8.050
   83   1HD   ARG  11          HD2       ARG  11   7.627   2.597  -6.624
   84   2HD   ARG  11          HD1       ARG  11   8.005   3.023  -8.294
   85    HE   ARG  11           HE       ARG  11   6.889   5.268  -7.032
   86   1HH1  ARG  11          HH11      ARG  11   9.799   3.370  -6.925
   87   2HH1  ARG  11          HH12      ARG  11  10.776   4.678  -6.362
   88   1HH2  ARG  11          HH21      ARG  11   8.172   6.974  -6.291
   89   2HH2  ARG  11          HH22      ARG  11   9.856   6.717  -6.002
   90    H    GLY  12           HN       GLY  12   2.593   3.410 -11.432
   91   1HA   GLY  12          HA2       GLY  12   1.836   1.638 -12.696
   92   2HA   GLY  12          HA1       GLY  12   3.531   1.176 -12.693
   93    H    VAL  13           HN       VAL  13   3.467  -0.963 -12.512
   94    HA   VAL  13           HA       VAL  13   1.657  -2.279 -10.644
   95    HB   VAL  13           HB       VAL  13   3.613  -3.402 -12.661
   96   1HG1  VAL  13          HG11      VAL  13   1.620  -4.804 -10.888
   97   2HG1  VAL  13          HG12      VAL  13   3.369  -5.031 -10.933
   98   3HG1  VAL  13          HG13      VAL  13   2.377  -5.543 -12.298
   99   1HG2  VAL  13          HG21      VAL  13   0.599  -3.251 -12.730
  100   2HG2  VAL  13          HG22      VAL  13   1.641  -3.944 -13.973
  101   3HG2  VAL  13          HG23      VAL  13   1.697  -2.214 -13.640
  102    H    CYS  14           HN       CYS  14   2.427  -3.884  -9.096
  103    HA   CYS  14           HA       CYS  14   4.997  -3.077  -7.933
  104   1HB   CYS  14          HB2       CYS  14   3.283  -3.007  -6.287
  105   2HB   CYS  14          HB1       CYS  14   2.696  -4.614  -6.733
  106    H    PHE  15           HN       PHE  15   6.649  -4.409  -7.549
  107    HA   PHE  15           HA       PHE  15   6.474  -7.139  -8.622
  108   1HB   PHE  15          HB2       PHE  15   8.875  -5.293  -8.649
  109   2HB   PHE  15          HB1       PHE  15   8.846  -6.948  -9.258
  110    HD1  PHE  15           HD1      PHE  15   8.717  -7.161 -11.531
  111    HD2  PHE  15           HD2      PHE  15   6.849  -3.811  -9.691
  112    HE1  PHE  15           HE1      PHE  15   8.035  -6.326 -13.744
  113    HE2  PHE  15           HE2      PHE  15   6.160  -2.974 -11.895
  114    HZ   PHE  15           HZ       PHE  15   6.754  -4.231 -13.928
  115    H    THR  16           HN       THR  16   7.867  -5.053  -6.117
  116    HA   THR  16           HA       THR  16   8.386  -7.457  -4.486
  117    HB   THR  16           HB       THR  16  10.327  -6.325  -3.498
  118    HG1  THR  16           HG1      THR  16   9.657  -4.162  -3.844
  119   1HG2  THR  16          HG21      THR  16  10.986  -5.922  -6.324
  120   2HG2  THR  16          HG22      THR  16  10.342  -7.512  -5.912
  121   3HG2  THR  16          HG23      THR  16  11.781  -6.904  -5.093
  122    H    ASN  17           HN       ASN  17   7.552  -7.434  -2.456
  123    HA   ASN  17           HA       ASN  17   5.516  -5.866  -1.621
  124   1HB   ASN  17          HB2       ASN  17   7.638  -7.207   0.057
  125   2HB   ASN  17          HB1       ASN  17   6.167  -6.514   0.730
  126   1HD2  ASN  17          HD21      ASN  17   7.526  -9.312  -0.227
  127   2HD2  ASN  17          HD22      ASN  17   6.104 -10.210  -0.616
  128    H    ALA  18           HN       ALA  18   8.948  -5.167  -1.016
  129    HA   ALA  18           HA       ALA  18   8.763  -3.015   0.687
  130   1HB   ALA  18          HB1       ALA  18  10.955  -2.454   0.059
  131   2HB   ALA  18          HB2       ALA  18  10.746  -3.099  -1.570
  132   3HB   ALA  18          HB3       ALA  18  10.835  -4.195  -0.192
  133    H    SER  19           HN       SER  19   7.972  -3.091  -2.724
  134    HA   SER  19           HA       SER  19   8.148  -0.376  -3.362
  135   1HB   SER  19          HB2       SER  19   7.769  -2.161  -5.025
  136   2HB   SER  19          HB1       SER  19   6.144  -2.404  -4.386
  137    HG   SER  19           HG       SER  19   5.694  -0.987  -5.911
  138    H    CYS  20           HN       CYS  20   5.351  -2.204  -2.100
  139    HA   CYS  20           HA       CYS  20   3.650   0.069  -1.930
  140   1HB   CYS  20          HB2       CYS  20   3.473  -2.644  -0.628
  141   2HB   CYS  20          HB1       CYS  20   2.206  -1.428  -0.554
  142    H    ASP  21           HN       ASP  21   5.621  -1.663   0.473
  143    HA   ASP  21           HA       ASP  21   4.814  -0.353   2.778
  144   1HB   ASP  21          HB2       ASP  21   6.348  -2.265   2.800
  145   2HB   ASP  21          HB1       ASP  21   7.607  -1.292   2.049
  146    H    ASP  22           HN       ASP  22   7.799   0.470   1.017
  147    HA   ASP  22           HA       ASP  22   8.376   2.934   2.111
  148   1HB   ASP  22          HB2       ASP  22   9.709   1.608   0.393
  149   2HB   ASP  22          HB1       ASP  22   8.638   2.264  -0.837
  150    H    HIS  23           HN       HIS  23   6.364   2.200  -0.665
  151    HA   HIS  23           HA       HIS  23   5.499   4.732  -1.403
  152   1HB   HIS  23          HB2       HIS  23   5.110   2.877  -2.837
  153   2HB   HIS  23          HB1       HIS  23   4.284   1.980  -1.587
  154    HD1  HIS  23           HD1      HIS  23   3.525   5.457  -2.907
  155    HD2  HIS  23           HD2      HIS  23   1.850   1.703  -2.631
  156    HE1  HIS  23           HE1      HIS  23   1.145   5.722  -3.693
  157    HE2  HIS  23           HE2      HIS  23   0.101   3.465  -3.332
  158    H    CYS  24           HN       CYS  24   3.560   2.396   0.476
  159    HA   CYS  24           HA       CYS  24   1.604   4.191   1.312
  160   1HB   CYS  24          HB2       CYS  24   2.670   1.689   2.606
  161   2HB   CYS  24          HB1       CYS  24   1.327   2.599   3.285
  162    H    LYS  25           HN       LYS  25   4.575   3.238   3.031
  163    HA   LYS  25           HA       LYS  25   4.268   4.712   5.340
  164   1HB   LYS  25          HB2       LYS  25   6.076   3.079   4.900
  165   2HB   LYS  25          HB1       LYS  25   6.841   4.239   3.824
  166   1HG   LYS  25          HG2       LYS  25   7.220   5.754   5.671
  167   2HG   LYS  25          HG1       LYS  25   6.363   4.666   6.767
  168   1HD   LYS  25          HD2       LYS  25   8.062   2.920   6.296
  169   2HD   LYS  25          HD1       LYS  25   8.938   4.082   5.297
  170   1HE   LYS  25          HE2       LYS  25   9.247   5.536   7.221
  171   2HE   LYS  25          HE1       LYS  25   8.312   4.431   8.228
  172   1HZ   LYS  25          HZ1       LYS  25  10.012   2.742   7.911
  173   2HZ   LYS  25          HZ2       LYS  25  10.706   4.150   8.539
  174   3HZ   LYS  25          HZ3       LYS  25  10.895   3.775   6.901
  175    H    ASN  26           HN       ASN  26   5.604   5.819   2.249
  176    HA   ASN  26           HA       ASN  26   5.981   8.506   3.282
  177   1HB   ASN  26          HB2       ASN  26   6.635   7.142   0.693
  178   2HB   ASN  26          HB1       ASN  26   6.788   8.875   0.858
  179   1HD2  ASN  26          HD21      ASN  26   8.468   6.259   0.819
  180   2HD2  ASN  26          HD22      ASN  26   9.740   6.681   1.897
  181    H    LYS  27           HN       LYS  27   3.817   6.883   0.978
  182    HA   LYS  27           HA       LYS  27   2.602   9.347   0.133
  183   1HB   LYS  27          HB2       LYS  27   1.836   6.459  -0.260
  184   2HB   LYS  27          HB1       LYS  27   0.880   7.791  -0.899
  185   1HG   LYS  27          HG2       LYS  27   3.771   7.264  -1.545
  186   2HG   LYS  27          HG1       LYS  27   2.393   6.833  -2.566
  187   1HD   LYS  27          HD2       LYS  27   1.773   9.188  -2.751
  188   2HD   LYS  27          HD1       LYS  27   3.109   9.641  -1.691
  189   1HE   LYS  27          HE2       LYS  27   3.419   8.260  -4.360
  190   2HE   LYS  27          HE1       LYS  27   3.565  10.001  -4.111
  191   1HZ   LYS  27          HZ1       LYS  27   5.569   9.789  -3.105
  192   2HZ   LYS  27          HZ2       LYS  27   5.650   8.387  -4.047
  193   3HZ   LYS  27          HZ3       LYS  27   5.216   8.285  -2.415
  194    H    ALA  28           HN       ALA  28   1.451   6.676   2.220
  195    HA   ALA  28           HA       ALA  28  -0.339   8.636   3.489
  196   1HB   ALA  28          HB1       ALA  28  -1.106   5.799   2.807
  197   2HB   ALA  28          HB2       ALA  28  -1.686   7.251   1.991
  198   3HB   ALA  28          HB3       ALA  28  -2.102   6.963   3.681
  199    H    HIS  29           HN       HIS  29   1.327   8.803   5.012
  200    HA   HIS  29           HA       HIS  29   2.790   7.280   6.514
  201   1HB   HIS  29          HB2       HIS  29   2.468   9.702   6.866
  202   2HB   HIS  29          HB1       HIS  29   0.958   9.365   7.710
  203    HD1  HIS  29           HD1      HIS  29   4.580   8.232   8.072
  204    HD2  HIS  29           HD2      HIS  29   1.329   9.406  10.376
  205    HE1  HIS  29           HE1      HIS  29   5.398   8.198  10.454
  206    HE2  HIS  29           HE2      HIS  29   3.453   9.054  11.811
  207    H    LEU  30           HN       LEU  30   1.762   5.228   6.378
  208    HA   LEU  30           HA       LEU  30   0.007   4.666   8.681
  209   1HB   LEU  30          HB2       LEU  30  -0.054   3.659   5.896
  210   2HB   LEU  30          HB1       LEU  30  -0.420   2.498   7.157
  211    HG   LEU  30           HG       LEU  30  -2.282   3.872   7.923
  212   1HD1  LEU  30          HD11      LEU  30  -2.942   5.889   6.958
  213   2HD1  LEU  30          HD12      LEU  30  -1.859   5.695   5.583
  214   3HD1  LEU  30          HD13      LEU  30  -1.204   6.058   7.178
  215   1HD2  LEU  30          HD21      LEU  30  -2.055   2.693   5.295
  216   2HD2  LEU  30          HD22      LEU  30  -3.305   3.935   5.354
  217   3HD2  LEU  30          HD23      LEU  30  -3.355   2.577   6.476
  218    H    ILE  31           HN       ILE  31   0.141   2.098   9.051
  219    HA   ILE  31           HA       ILE  31   2.758   1.673  10.084
  220    HB   ILE  31           HB       ILE  31   1.859  -0.468  10.907
  221   1HG1  ILE  31          HG12      ILE  31  -0.696   0.465   9.600
  222   2HG1  ILE  31          HG11      ILE  31   0.286  -0.910   9.102
  223   1HG2  ILE  31          HG21      ILE  31   0.586   0.494  12.619
  224   2HG2  ILE  31          HG22      ILE  31  -0.053   1.746  11.554
  225   3HG2  ILE  31          HG23      ILE  31   1.636   1.796  12.060
  226   1HD1  ILE  31          HD11      ILE  31  -1.250  -2.020  10.324
  227   2HD1  ILE  31          HD12      ILE  31  -1.597  -0.633  11.355
  228   3HD1  ILE  31          HD13      ILE  31  -0.152  -1.604  11.638
  229    H    SER  32           HN       SER  32   0.873   0.097   7.499
  230    HA   SER  32           HA       SER  32   3.348  -0.706   6.232
  231   1HB   SER  32          HB2       SER  32   3.058  -2.520   7.819
  232   2HB   SER  32          HB1       SER  32   1.415  -2.799   7.240
  233    HG   SER  32           HG       SER  32   2.233  -3.974   5.709
  234    H    GLY  33           HN       GLY  33   3.083  -1.703   4.141
  235   1HA   GLY  33          HA2       GLY  33   0.433  -1.462   2.887
  236   2HA   GLY  33          HA1       GLY  33   1.760  -0.517   2.213
  237    H    THR  34           HN       THR  34   0.066  -3.300   1.806
  238    HA   THR  34           HA       THR  34   2.382  -4.794   0.755
  239    HB   THR  34           HB       THR  34  -0.382  -5.781   1.488
  240    HG1  THR  34           HG1      THR  34   0.449  -6.163   3.376
  241   1HG2  THR  34          HG21      THR  34   0.364  -7.282  -0.160
  242   2HG2  THR  34          HG22      THR  34   0.741  -8.040   1.387
  243   3HG2  THR  34          HG23      THR  34   2.017  -7.260   0.455
  244    H    CYS  35           HN       CYS  35   2.112  -5.990  -1.243
  245    HA   CYS  35           HA       CYS  35   0.715  -4.393  -3.237
  246   1HB   CYS  35          HB2       CYS  35   2.577  -6.760  -3.571
  247   2HB   CYS  35          HB1       CYS  35   1.954  -5.754  -4.880
  248    H    HIS  36           HN       HIS  36  -0.929  -5.083  -4.549
  249    HA   HIS  36           HA       HIS  36  -1.970  -7.804  -4.128
  250   1HB   HIS  36          HB2       HIS  36  -3.548  -5.238  -3.931
  251   2HB   HIS  36          HB1       HIS  36  -4.303  -6.808  -4.174
  252    HD1  HIS  36           HD1      HIS  36  -3.495  -8.635  -2.208
  253    HD2  HIS  36           HD2      HIS  36  -3.351  -4.590  -1.321
  254    HE1  HIS  36           HE1      HIS  36  -3.461  -8.504   0.302
  255    HE2  HIS  36           HE2      HIS  36  -3.623  -6.041   0.805
  256    H    ASN  37           HN       ASN  37  -1.906  -8.773  -6.027
  257    HA   ASN  37           HA       ASN  37  -2.089  -9.237  -8.233
  258   1HB   ASN  37          HB2       ASN  37  -4.073  -6.954  -8.160
  259   2HB   ASN  37          HB1       ASN  37  -3.890  -8.089  -9.496
  260   1HD2  ASN  37          HD21      ASN  37  -5.370  -9.602  -9.507
  261   2HD2  ASN  37          HD22      ASN  37  -6.123 -10.305  -8.121
  262    H    TRP  38           HN       TRP  38  -2.533  -5.725  -8.414
  263    HA   TRP  38           HA       TRP  38   0.111  -5.420  -9.606
  264   1HB   TRP  38          HB2       TRP  38  -2.259  -4.208 -11.014
  265   2HB   TRP  38          HB1       TRP  38  -0.627  -4.399 -11.605
  266    HD1  TRP  38           HD1      TRP  38  -3.563  -6.648 -10.662
  267    HE1  TRP  38           HE1      TRP  38  -3.640  -8.648 -12.296
  268    HE3  TRP  38           HE3      TRP  38   0.606  -5.592 -13.365
  269    HZ2  TRP  38           HZ2      TRP  38  -2.105  -9.632 -14.445
  270    HZ3  TRP  38           HZ3      TRP  38   1.249  -7.107 -15.201
  271    HH2  TRP  38           HH2      TRP  38  -0.081  -9.086 -15.727
  272    H    LYS  39           HN       LYS  39  -1.819  -4.386  -7.232
  273    HA   LYS  39           HA       LYS  39  -0.895  -1.597  -7.491
  274   1HB   LYS  39          HB2       LYS  39  -3.615  -2.517  -6.563
  275   2HB   LYS  39          HB1       LYS  39  -3.018  -0.873  -6.382
  276   1HG   LYS  39          HG2       LYS  39  -2.834  -0.651  -8.794
  277   2HG   LYS  39          HG1       LYS  39  -3.388  -2.314  -9.002
  278   1HD   LYS  39          HD2       LYS  39  -5.527  -1.745  -7.978
  279   2HD   LYS  39          HD1       LYS  39  -4.964  -0.098  -7.699
  280   1HE   LYS  39          HE2       LYS  39  -6.410  -0.185  -9.658
  281   2HE   LYS  39          HE1       LYS  39  -4.762   0.253 -10.112
  282   1HZ   LYS  39          HZ1       LYS  39  -4.372  -1.982 -10.861
  283   2HZ   LYS  39          HZ2       LYS  39  -5.766  -1.392 -11.616
  284   3HZ   LYS  39          HZ3       LYS  39  -5.900  -2.484 -10.331
  285    H    CYS  40           HN       CYS  40  -1.499  -0.451  -5.209
  286    HA   CYS  40           HA       CYS  40  -0.308  -2.142  -3.122
  287   1HB   CYS  40          HB2       CYS  40   0.232   0.717  -3.873
  288   2HB   CYS  40          HB1       CYS  40   0.575   0.111  -2.257
  289    H    PHE  41           HN       PHE  41  -1.420  -2.375  -1.334
  290    HA   PHE  41           HA       PHE  41  -3.551  -0.428  -0.740
  291   1HB   PHE  41          HB2       PHE  41  -3.380  -3.361  -0.006
  292   2HB   PHE  41          HB1       PHE  41  -4.627  -2.258   0.570
  293    HD1  PHE  41           HD1      PHE  41  -3.160  -2.758  -2.846
  294    HD2  PHE  41           HD2      PHE  41  -6.609  -2.902  -0.359
  295    HE1  PHE  41           HE1      PHE  41  -4.545  -3.303  -4.804
  296    HE2  PHE  41           HE2      PHE  41  -7.998  -3.446  -2.310
  297    HZ   PHE  41           HZ       PHE  41  -6.967  -3.645  -4.539
  298    H    CYS  42           HN       CYS  42  -3.514   0.580   1.201
  299    HA   CYS  42           HA       CYS  42  -1.203  -0.007   2.925
  300   1HB   CYS  42          HB2       CYS  42  -2.902   2.495   2.742
  301   2HB   CYS  42          HB1       CYS  42  -1.414   2.303   3.655
  302    H    THR  43           HN       THR  43  -1.484  -0.329   5.132
  303    HA   THR  43           HA       THR  43  -4.260  -0.767   5.990
  304    HB   THR  43           HB       THR  43  -3.209  -2.234   7.732
  305    HG1  THR  43           HG1      THR  43  -0.876  -2.211   6.174
  306   1HG2  THR  43          HG21      THR  43  -3.037  -2.831   4.838
  307   2HG2  THR  43          HG22      THR  43  -4.028  -3.575   6.094
  308   3HG2  THR  43          HG23      THR  43  -2.311  -3.958   5.983
  309    H    GLN  44           HN       GLN  44  -5.119   0.419   7.557
  310    HA   GLN  44           HA       GLN  44  -3.308   1.943   9.316
  311   1HB   GLN  44          HB2       GLN  44  -4.300   3.447   7.632
  312   2HB   GLN  44          HB1       GLN  44  -5.907   2.942   8.127
  313   1HG   GLN  44          HG2       GLN  44  -5.567   3.912  10.324
  314   2HG   GLN  44          HG1       GLN  44  -3.913   4.344   9.897
  315   1HE2  GLN  44          HE21      GLN  44  -6.849   5.614  10.334
  316   2HE2  GLN  44          HE22      GLN  44  -6.773   6.951   9.244
  317    H    ASN  45           HN       ASN  45  -3.945   2.217  11.433
  318    HA   ASN  45           HA       ASN  45  -5.580   0.182  12.540
  319   1HB   ASN  45          HB2       ASN  45  -4.452   2.680  13.832
  320   2HB   ASN  45          HB1       ASN  45  -5.114   1.291  14.689
  321   1HD2  ASN  45          HD21      ASN  45  -2.332   2.723  13.852
  322   2HD2  ASN  45          HD22      ASN  45  -1.284   1.352  13.822
  323    H    CYS  46           HN       CYS  46  -7.710   0.192  13.036
  324    HA   CYS  46           HA       CYS  46  -9.151   2.651  13.505
  325   1HB   CYS  46          HB2       CYS  46 -10.804   2.316  11.724
  326   2HB   CYS  46          HB1       CYS  46  -9.190   2.558  11.053
  Start of MODEL    9
    1   1H    LYS   1          HT1       LYS   1 -10.274  -5.246  15.014
    2   2H    LYS   1          HT2       LYS   1  -9.830  -3.630  14.778
    3   3H    LYS   1          HT3       LYS   1  -8.653  -4.783  15.157
    4    HA   LYS   1           HA       LYS   1  -8.723  -5.772  13.073
    5   1HB   LYS   1          HB2       LYS   1 -11.326  -4.260  12.698
    6   2HB   LYS   1          HB1       LYS   1 -10.555  -5.223  11.447
    7   1HG   LYS   1          HG2       LYS   1 -10.820  -7.230  12.824
    8   2HG   LYS   1          HG1       LYS   1 -11.605  -6.263  14.076
    9   1HD   LYS   1          HD2       LYS   1 -13.391  -5.674  12.523
   10   2HD   LYS   1          HD1       LYS   1 -12.598  -6.591  11.242
   11   1HE   LYS   1          HE2       LYS   1 -13.654  -7.733  13.830
   12   2HE   LYS   1          HE1       LYS   1 -14.462  -7.827  12.265
   13   1HZ   LYS   1          HZ1       LYS   1 -13.353  -9.867  12.545
   14   2HZ   LYS   1          HZ2       LYS   1 -11.928  -9.133  13.086
   15   3HZ   LYS   1          HZ3       LYS   1 -12.384  -8.996  11.463
   16    H    THR   2           HN       THR   2  -8.964  -4.436  10.673
   17    HA   THR   2           HA       THR   2  -7.928  -1.739  11.038
   18    HB   THR   2           HB       THR   2  -5.882  -2.986  11.103
   19    HG1  THR   2           HG1      THR   2  -5.218  -1.416   9.894
   20   1HG2  THR   2          HG21      THR   2  -5.472  -4.865  10.021
   21   2HG2  THR   2          HG22      THR   2  -5.810  -4.106   8.466
   22   3HG2  THR   2          HG23      THR   2  -7.122  -4.816   9.405
   23    H    CYS   3           HN       CYS   3  -7.474  -0.700   8.874
   24    HA   CYS   3           HA       CYS   3  -9.524  -1.557   6.927
   25   1HB   CYS   3          HB2       CYS   3  -8.689   1.252   7.676
   26   2HB   CYS   3          HB1       CYS   3  -9.799   0.855   6.370
   27    H    GLU   4           HN       GLU   4  -8.878  -1.882   4.902
   28    HA   GLU   4           HA       GLU   4  -6.178  -0.989   4.140
   29   1HB   GLU   4          HB2       GLU   4  -7.748  -3.374   3.152
   30   2HB   GLU   4          HB1       GLU   4  -6.203  -2.855   2.493
   31   1HG   GLU   4          HG2       GLU   4  -5.201  -3.197   4.738
   32   2HG   GLU   4          HG1       GLU   4  -6.741  -3.863   5.274
   33    H    HIS   5           HN       HIS   5  -5.896   0.184   2.325
   34    HA   HIS   5           HA       HIS   5  -8.094   0.450   0.426
   35   1HB   HIS   5          HB2       HIS   5  -6.923   2.813   1.910
   36   2HB   HIS   5          HB1       HIS   5  -8.024   2.929   0.543
   37    HD1  HIS   5           HD1      HIS   5 -10.331   1.304   1.121
   38    HD2  HIS   5           HD2      HIS   5  -8.272   3.165   4.208
   39    HE1  HIS   5           HE1      HIS   5 -11.966   1.440   3.025
   40    HE2  HIS   5           HE2      HIS   5 -10.749   2.727   4.816
   41    H    LEU   6           HN       LEU   6  -7.495   1.072  -1.615
   42    HA   LEU   6           HA       LEU   6  -4.737   0.721  -2.323
   43   1HB   LEU   6          HB2       LEU   6  -6.264  -0.190  -3.845
   44   2HB   LEU   6          HB1       LEU   6  -7.262   1.260  -3.864
   45    HG   LEU   6           HG       LEU   6  -5.401   2.424  -5.073
   46   1HD1  LEU   6          HD11      LEU   6  -3.934   0.541  -6.266
   47   2HD1  LEU   6          HD12      LEU   6  -4.152  -0.223  -4.691
   48   3HD1  LEU   6          HD13      LEU   6  -3.421   1.378  -4.802
   49   1HD2  LEU   6          HD21      LEU   6  -5.749   0.618  -7.106
   50   2HD2  LEU   6          HD22      LEU   6  -6.844   1.937  -6.693
   51   3HD2  LEU   6          HD23      LEU   6  -7.141   0.316  -6.065
   52    H    ALA   7           HN       ALA   7  -3.239   2.224  -2.785
   53    HA   ALA   7           HA       ALA   7  -3.917   5.017  -2.313
   54   1HB   ALA   7          HB1       ALA   7  -1.341   3.498  -2.493
   55   2HB   ALA   7          HB2       ALA   7  -1.993   4.429  -1.146
   56   3HB   ALA   7          HB3       ALA   7  -1.356   5.261  -2.568
   57    H    ASP   8           HN       ASP   8  -4.242   6.462  -3.865
   58    HA   ASP   8           HA       ASP   8  -4.067   5.723  -6.627
   59   1HB   ASP   8          HB2       ASP   8  -4.763   8.371  -5.349
   60   2HB   ASP   8          HB1       ASP   8  -5.009   7.954  -7.042
   61    H    THR   9           HN       THR   9  -1.765   7.039  -4.508
   62    HA   THR   9           HA       THR   9  -0.316   8.295  -6.743
   63    HB   THR   9           HB       THR   9   1.071   9.410  -5.017
   64    HG1  THR   9           HG1      THR   9  -0.651   8.915  -2.951
   65   1HG2  THR   9          HG21      THR   9  -1.883   9.840  -4.967
   66   2HG2  THR   9          HG22      THR   9  -0.617  10.835  -5.689
   67   3HG2  THR   9          HG23      THR   9  -0.810  10.786  -3.936
   68    H    TYR  10           HN       TYR  10  -0.185   5.782  -7.082
   69    HA   TYR  10           HA       TYR  10   2.236   4.737  -5.775
   70   1HB   TYR  10          HB2       TYR  10   0.140   3.396  -5.569
   71   2HB   TYR  10          HB1       TYR  10   0.086   3.248  -7.321
   72    HD1  TYR  10           HD1      TYR  10   2.982   2.934  -5.002
   73    HD2  TYR  10           HD2      TYR  10   0.399   0.972  -7.757
   74    HE1  TYR  10           HE1      TYR  10   4.389   0.924  -4.882
   75    HE2  TYR  10           HE2      TYR  10   1.807  -1.046  -7.640
   76    HH   TYR  10           HH       TYR  10   3.780  -1.764  -5.352
   77    H    ARG  11           HN       ARG  11   3.186   2.939  -7.628
   78    HA   ARG  11           HA       ARG  11   3.935   4.670  -9.866
   79   1HB   ARG  11          HB2       ARG  11   5.396   2.183  -8.999
   80   2HB   ARG  11          HB1       ARG  11   6.013   3.548  -9.910
   81   1HG   ARG  11          HG2       ARG  11   5.790   4.945  -7.857
   82   2HG   ARG  11          HG1       ARG  11   5.329   3.487  -6.977
   83   1HD   ARG  11          HD2       ARG  11   7.716   3.981  -6.698
   84   2HD   ARG  11          HD1       ARG  11   7.457   2.445  -7.531
   85    HE   ARG  11           HE       ARG  11   7.764   4.531  -9.417
   86   1HH1  ARG  11          HH11      ARG  11   9.640   2.608  -7.201
   87   2HH1  ARG  11          HH12      ARG  11  11.104   2.784  -8.102
   88   1HH2  ARG  11          HH21      ARG  11   9.669   4.753 -10.585
   89   2HH2  ARG  11          HH22      ARG  11  11.119   4.000 -10.024
   90    H    GLY  12           HN       GLY  12   1.492   3.035  -9.808
   91   1HA   GLY  12          HA2       GLY  12   0.340   1.935 -11.495
   92   2HA   GLY  12          HA1       GLY  12   1.865   1.701 -12.344
   93    H    VAL  13           HN       VAL  13   2.907  -0.207 -12.173
   94    HA   VAL  13           HA       VAL  13   1.505  -2.377 -10.813
   95    HB   VAL  13           HB       VAL  13   3.849  -2.466 -12.724
   96   1HG1  VAL  13          HG11      VAL  13   2.197  -4.642 -11.468
   97   2HG1  VAL  13          HG12      VAL  13   3.951  -4.456 -11.469
   98   3HG1  VAL  13          HG13      VAL  13   3.109  -4.884 -12.957
   99   1HG2  VAL  13          HG21      VAL  13   1.050  -3.320 -13.356
  100   2HG2  VAL  13          HG22      VAL  13   2.361  -2.891 -14.454
  101   3HG2  VAL  13          HG23      VAL  13   1.541  -1.635 -13.528
  102    H    CYS  14           HN       CYS  14   2.706  -4.038  -9.618
  103    HA   CYS  14           HA       CYS  14   4.945  -2.897  -8.067
  104   1HB   CYS  14          HB2       CYS  14   3.055  -3.282  -6.622
  105   2HB   CYS  14          HB1       CYS  14   2.856  -4.922  -7.242
  106    H    PHE  15           HN       PHE  15   6.674  -4.254  -7.452
  107    HA   PHE  15           HA       PHE  15   6.919  -6.762  -8.969
  108   1HB   PHE  15          HB2       PHE  15   9.116  -4.733  -8.495
  109   2HB   PHE  15          HB1       PHE  15   9.331  -6.306  -9.261
  110    HD1  PHE  15           HD1      PHE  15   7.174  -3.272  -9.627
  111    HD2  PHE  15           HD2      PHE  15   9.395  -6.354 -11.545
  112    HE1  PHE  15           HE1      PHE  15   6.642  -2.284 -11.815
  113    HE2  PHE  15           HE2      PHE  15   8.871  -5.368 -13.738
  114    HZ   PHE  15           HZ       PHE  15   7.496  -3.330 -13.875
  115    H    THR  16           HN       THR  16   8.060  -4.939  -6.124
  116    HA   THR  16           HA       THR  16   8.391  -7.512  -4.733
  117    HB   THR  16           HB       THR  16  10.371  -6.640  -3.574
  118    HG1  THR  16           HG1      THR  16  10.982  -4.631  -3.770
  119   1HG2  THR  16          HG21      THR  16  11.202  -6.034  -6.313
  120   2HG2  THR  16          HG22      THR  16  10.383  -7.582  -6.107
  121   3HG2  THR  16          HG23      THR  16  11.828  -7.216  -5.164
  122    H    ASN  17           HN       ASN  17   7.755  -7.579  -2.596
  123    HA   ASN  17           HA       ASN  17   5.668  -6.163  -1.642
  124   1HB   ASN  17          HB2       ASN  17   7.956  -7.216   0.039
  125   2HB   ASN  17          HB1       ASN  17   6.334  -6.862   0.621
  126   1HD2  ASN  17          HD21      ASN  17   5.157  -8.610   0.901
  127   2HD2  ASN  17          HD22      ASN  17   5.242 -10.055  -0.041
  128    H    ALA  18           HN       ALA  18   9.077  -5.295  -1.100
  129    HA   ALA  18           HA       ALA  18   8.829  -3.170   0.620
  130   1HB   ALA  18          HB1       ALA  18  10.900  -2.262  -0.594
  131   2HB   ALA  18          HB2       ALA  18  10.773  -3.707  -1.598
  132   3HB   ALA  18          HB3       ALA  18  11.002  -3.862   0.143
  133    H    SER  19           HN       SER  19   8.060  -3.207  -2.819
  134    HA   SER  19           HA       SER  19   8.123  -0.501  -3.400
  135   1HB   SER  19          HB2       SER  19   7.695  -2.214  -5.106
  136   2HB   SER  19          HB1       SER  19   6.106  -2.528  -4.410
  137    HG   SER  19           HG       SER  19   5.520  -1.036  -5.810
  138    H    CYS  20           HN       CYS  20   5.275  -2.320  -2.182
  139    HA   CYS  20           HA       CYS  20   3.676  -0.009  -1.821
  140   1HB   CYS  20          HB2       CYS  20   3.444  -2.754  -0.600
  141   2HB   CYS  20          HB1       CYS  20   2.227  -1.494  -0.446
  142    H    ASP  21           HN       ASP  21   5.608  -1.937   0.490
  143    HA   ASP  21           HA       ASP  21   4.939  -0.773   2.873
  144   1HB   ASP  21          HB2       ASP  21   6.539  -2.610   2.716
  145   2HB   ASP  21          HB1       ASP  21   7.714  -1.558   1.935
  146    H    ASP  22           HN       ASP  22   7.870   0.284   1.160
  147    HA   ASP  22           HA       ASP  22   8.325   2.690   2.411
  148   1HB   ASP  22          HB2       ASP  22   9.829   1.656   0.737
  149   2HB   ASP  22          HB1       ASP  22   8.682   2.048  -0.537
  150    H    HIS  23           HN       HIS  23   6.532   2.139  -0.555
  151    HA   HIS  23           HA       HIS  23   5.574   4.616  -1.168
  152   1HB   HIS  23          HB2       HIS  23   5.222   2.828  -2.660
  153   2HB   HIS  23          HB1       HIS  23   4.417   1.857  -1.455
  154    HD1  HIS  23           HD1      HIS  23   3.440   5.376  -2.119
  155    HD2  HIS  23           HD2      HIS  23   2.156   1.583  -3.000
  156    HE1  HIS  23           HE1      HIS  23   1.136   5.671  -3.089
  157    HE2  HIS  23           HE2      HIS  23   0.326   3.321  -3.507
  158    H    CYS  24           HN       CYS  24   3.631   2.233   0.642
  159    HA   CYS  24           HA       CYS  24   1.600   3.972   1.390
  160   1HB   CYS  24          HB2       CYS  24   2.661   1.477   2.684
  161   2HB   CYS  24          HB1       CYS  24   1.337   2.383   3.407
  162    H    LYS  25           HN       LYS  25   4.562   3.214   3.243
  163    HA   LYS  25           HA       LYS  25   3.979   4.821   5.461
  164   1HB   LYS  25          HB2       LYS  25   6.643   4.013   4.292
  165   2HB   LYS  25          HB1       LYS  25   6.475   4.857   5.825
  166   1HG   LYS  25          HG2       LYS  25   5.146   2.980   6.696
  167   2HG   LYS  25          HG1       LYS  25   5.362   2.141   5.158
  168   1HD   LYS  25          HD2       LYS  25   7.771   2.081   5.493
  169   2HD   LYS  25          HD1       LYS  25   7.605   3.010   6.985
  170   1HE   LYS  25          HE2       LYS  25   7.919   0.602   7.402
  171   2HE   LYS  25          HE1       LYS  25   6.381   1.200   8.020
  172   1HZ   LYS  25          HZ1       LYS  25   6.079   0.293   5.356
  173   2HZ   LYS  25          HZ2       LYS  25   5.299  -0.248   6.756
  174   3HZ   LYS  25          HZ3       LYS  25   6.788  -0.933   6.287
  175    H    ASN  26           HN       ASN  26   5.659   5.661   2.453
  176    HA   ASN  26           HA       ASN  26   6.155   8.352   3.353
  177   1HB   ASN  26          HB2       ASN  26   6.672   6.899   0.773
  178   2HB   ASN  26          HB1       ASN  26   7.043   8.597   0.977
  179   1HD2  ASN  26          HD21      ASN  26   8.409   5.840   0.848
  180   2HD2  ASN  26          HD22      ASN  26   9.700   6.050   1.967
  181    H    LYS  27           HN       LYS  27   3.847   6.866   1.073
  182    HA   LYS  27           HA       LYS  27   2.893   9.448   0.202
  183   1HB   LYS  27          HB2       LYS  27   1.741   6.687  -0.223
  184   2HB   LYS  27          HB1       LYS  27   1.159   8.153  -1.007
  185   1HG   LYS  27          HG2       LYS  27   3.931   7.017  -1.269
  186   2HG   LYS  27          HG1       LYS  27   2.626   6.831  -2.456
  187   1HD   LYS  27          HD2       LYS  27   2.584   9.235  -2.808
  188   2HD   LYS  27          HD1       LYS  27   3.789   9.478  -1.540
  189   1HE   LYS  27          HE2       LYS  27   4.801   9.591  -3.761
  190   2HE   LYS  27          HE1       LYS  27   5.416   8.212  -2.841
  191   1HZ   LYS  27          HZ1       LYS  27   3.186   7.964  -4.790
  192   2HZ   LYS  27          HZ2       LYS  27   4.103   6.729  -4.096
  193   3HZ   LYS  27          HZ3       LYS  27   4.815   7.758  -5.227
  194    H    ALA  28           HN       ALA  28   1.410   6.829   2.118
  195    HA   ALA  28           HA       ALA  28  -0.287   8.884   3.360
  196   1HB   ALA  28          HB1       ALA  28  -1.506   6.260   3.427
  197   2HB   ALA  28          HB2       ALA  28  -1.182   6.782   1.773
  198   3HB   ALA  28          HB3       ALA  28  -2.154   7.793   2.841
  199    H    HIS  29           HN       HIS  29   1.293   9.051   4.932
  200    HA   HIS  29           HA       HIS  29   2.721   7.575   6.504
  201   1HB   HIS  29          HB2       HIS  29   2.320   9.987   6.841
  202   2HB   HIS  29          HB1       HIS  29   0.785   9.612   7.622
  203    HD1  HIS  29           HD1      HIS  29   4.437   8.633   8.137
  204    HD2  HIS  29           HD2      HIS  29   1.028   9.610  10.302
  205    HE1  HIS  29           HE1      HIS  29   5.144   8.607  10.554
  206    HE2  HIS  29           HE2      HIS  29   3.090   9.307  11.835
  207    H    LEU  30           HN       LEU  30   1.756   5.499   6.335
  208    HA   LEU  30           HA       LEU  30  -0.052   4.868   8.580
  209   1HB   LEU  30          HB2       LEU  30  -0.032   3.906   5.774
  210   2HB   LEU  30          HB1       LEU  30  -0.394   2.713   7.008
  211    HG   LEU  30           HG       LEU  30  -2.325   3.967   7.737
  212   1HD1  LEU  30          HD11      LEU  30  -2.993   6.041   6.923
  213   2HD1  LEU  30          HD12      LEU  30  -1.867   5.980   5.570
  214   3HD1  LEU  30          HD13      LEU  30  -1.266   6.228   7.207
  215   1HD2  LEU  30          HD21      LEU  30  -2.306   3.839   4.733
  216   2HD2  LEU  30          HD22      LEU  30  -3.707   3.730   5.798
  217   3HD2  LEU  30          HD23      LEU  30  -2.501   2.443   5.793
  218    H    ILE  31           HN       ILE  31   0.171   2.216   8.824
  219    HA   ILE  31           HA       ILE  31   2.809   1.923   9.893
  220    HB   ILE  31           HB       ILE  31   1.989  -0.217  10.792
  221   1HG1  ILE  31          HG12      ILE  31  -0.595   0.588   9.454
  222   2HG1  ILE  31          HG11      ILE  31   0.413  -0.801   9.056
  223   1HG2  ILE  31          HG21      ILE  31   0.153   0.871  12.222
  224   2HG2  ILE  31          HG22      ILE  31   0.501   2.330  11.293
  225   3HG2  ILE  31          HG23      ILE  31   1.769   1.575  12.258
  226   1HD1  ILE  31          HD11      ILE  31  -1.102  -1.859  10.348
  227   2HD1  ILE  31          HD12      ILE  31  -1.493  -0.408  11.270
  228   3HD1  ILE  31          HD13      ILE  31  -0.028  -1.319  11.637
  229    H    SER  32           HN       SER  32   0.932   0.098   7.425
  230    HA   SER  32           HA       SER  32   3.455  -0.611   6.165
  231   1HB   SER  32          HB2       SER  32   1.571  -2.707   7.243
  232   2HB   SER  32          HB1       SER  32   2.882  -3.046   6.112
  233    HG   SER  32           HG       SER  32   4.251  -2.945   7.710
  234    H    GLY  33           HN       GLY  33   3.205  -1.769   4.116
  235   1HA   GLY  33          HA2       GLY  33   0.584  -1.548   2.828
  236   2HA   GLY  33          HA1       GLY  33   1.908  -0.614   2.140
  237    H    THR  34           HN       THR  34   0.220  -3.280   1.578
  238    HA   THR  34           HA       THR  34   2.568  -4.790   0.614
  239    HB   THR  34           HB       THR  34  -0.113  -5.870   1.509
  240    HG1  THR  34           HG1      THR  34   2.477  -5.963   2.666
  241   1HG2  THR  34          HG21      THR  34   0.604  -7.391  -0.124
  242   2HG2  THR  34          HG22      THR  34   1.112  -8.081   1.417
  243   3HG2  THR  34          HG23      THR  34   2.289  -7.271   0.383
  244    H    CYS  35           HN       CYS  35   2.367  -5.916  -1.391
  245    HA   CYS  35           HA       CYS  35   0.758  -4.462  -3.313
  246   1HB   CYS  35          HB2       CYS  35   2.784  -6.680  -3.676
  247   2HB   CYS  35          HB1       CYS  35   1.973  -5.843  -5.000
  248    H    HIS  36           HN       HIS  36  -0.966  -5.176  -4.426
  249    HA   HIS  36           HA       HIS  36  -1.826  -7.968  -4.023
  250   1HB   HIS  36          HB2       HIS  36  -3.508  -5.473  -3.798
  251   2HB   HIS  36          HB1       HIS  36  -4.201  -7.077  -4.011
  252    HD1  HIS  36           HD1      HIS  36  -3.182  -8.841  -2.048
  253    HD2  HIS  36           HD2      HIS  36  -3.387  -4.792  -1.198
  254    HE1  HIS  36           HE1      HIS  36  -3.169  -8.680   0.459
  255    HE2  HIS  36           HE2      HIS  36  -3.549  -6.235   0.943
  256    H    ASN  37           HN       ASN  37  -1.814  -8.948  -5.914
  257    HA   ASN  37           HA       ASN  37  -2.064  -9.434  -8.108
  258   1HB   ASN  37          HB2       ASN  37  -3.969  -7.080  -8.049
  259   2HB   ASN  37          HB1       ASN  37  -3.815  -8.212  -9.391
  260   1HD2  ASN  37          HD21      ASN  37  -5.411  -9.612  -9.424
  261   2HD2  ASN  37          HD22      ASN  37  -6.178 -10.316  -8.048
  262    H    TRP  38           HN       TRP  38  -2.391  -5.913  -8.301
  263    HA   TRP  38           HA       TRP  38   0.290  -5.678  -9.415
  264   1HB   TRP  38          HB2       TRP  38  -2.086  -4.641 -10.972
  265   2HB   TRP  38          HB1       TRP  38  -0.405  -4.605 -11.460
  266    HD1  TRP  38           HD1      TRP  38  -3.295  -7.008 -11.012
  267    HE1  TRP  38           HE1      TRP  38  -2.893  -9.104 -12.467
  268    HE3  TRP  38           HE3      TRP  38   1.423  -5.957 -12.596
  269    HZ2  TRP  38           HZ2      TRP  38  -0.816 -10.162 -14.061
  270    HZ3  TRP  38           HZ3      TRP  38   2.563  -7.555 -14.080
  271    HH2  TRP  38           HH2      TRP  38   1.464  -9.615 -14.796
  272    H    LYS  39           HN       LYS  39  -1.847  -4.485  -7.243
  273    HA   LYS  39           HA       LYS  39  -0.736  -1.775  -7.462
  274   1HB   LYS  39          HB2       LYS  39  -2.929  -0.893  -6.620
  275   2HB   LYS  39          HB1       LYS  39  -2.948  -1.534  -8.255
  276   1HG   LYS  39          HG2       LYS  39  -3.911  -3.614  -7.428
  277   2HG   LYS  39          HG1       LYS  39  -3.898  -2.958  -5.792
  278   1HD   LYS  39          HD2       LYS  39  -5.453  -1.224  -6.420
  279   2HD   LYS  39          HD1       LYS  39  -5.380  -1.723  -8.112
  280   1HE   LYS  39          HE2       LYS  39  -6.373  -3.875  -7.525
  281   2HE   LYS  39          HE1       LYS  39  -6.422  -3.399  -5.829
  282   1HZ   LYS  39          HZ1       LYS  39  -8.496  -3.112  -7.417
  283   2HZ   LYS  39          HZ2       LYS  39  -7.744  -1.635  -7.757
  284   3HZ   LYS  39          HZ3       LYS  39  -8.175  -2.016  -6.165
  285    H    CYS  40           HN       CYS  40  -1.375  -0.493  -5.296
  286    HA   CYS  40           HA       CYS  40  -0.448  -2.203  -3.094
  287   1HB   CYS  40          HB2       CYS  40   0.072   0.696  -3.726
  288   2HB   CYS  40          HB1       CYS  40   0.349   0.019  -2.126
  289    H    PHE  41           HN       PHE  41  -1.513  -2.376  -1.294
  290    HA   PHE  41           HA       PHE  41  -3.768  -0.547  -0.762
  291   1HB   PHE  41          HB2       PHE  41  -3.432  -3.441   0.088
  292   2HB   PHE  41          HB1       PHE  41  -4.733  -2.385   0.623
  293    HD1  PHE  41           HD1      PHE  41  -3.266  -3.062  -2.753
  294    HD2  PHE  41           HD2      PHE  41  -6.697  -3.117  -0.245
  295    HE1  PHE  41           HE1      PHE  41  -4.637  -3.824  -4.644
  296    HE2  PHE  41           HE2      PHE  41  -8.072  -3.871  -2.135
  297    HZ   PHE  41           HZ       PHE  41  -7.043  -4.224  -4.341
  298    H    CYS  42           HN       CYS  42  -3.668   0.561   1.154
  299    HA   CYS  42           HA       CYS  42  -1.364  -0.055   2.890
  300   1HB   CYS  42          HB2       CYS  42  -2.965   2.507   2.619
  301   2HB   CYS  42          HB1       CYS  42  -1.551   2.271   3.635
  302    H    THR  43           HN       THR  43  -1.670  -0.339   5.093
  303    HA   THR  43           HA       THR  43  -4.461  -0.711   5.931
  304    HB   THR  43           HB       THR  43  -3.523  -2.212   7.640
  305    HG1  THR  43           HG1      THR  43  -1.460  -1.201   7.794
  306   1HG2  THR  43          HG21      THR  43  -2.228  -3.752   5.854
  307   2HG2  THR  43          HG22      THR  43  -3.156  -2.707   4.780
  308   3HG2  THR  43          HG23      THR  43  -3.982  -3.668   6.008
  309    H    GLN  44           HN       GLN  44  -5.295   0.520   7.477
  310    HA   GLN  44           HA       GLN  44  -3.458   2.070   9.187
  311   1HB   GLN  44          HB2       GLN  44  -4.420   3.571   7.531
  312   2HB   GLN  44          HB1       GLN  44  -6.041   3.019   7.930
  313   1HG   GLN  44          HG2       GLN  44  -5.781   3.942  10.192
  314   2HG   GLN  44          HG1       GLN  44  -4.177   4.518   9.761
  315   1HE2  GLN  44          HE21      GLN  44  -6.018   4.877   7.042
  316   2HE2  GLN  44          HE22      GLN  44  -6.535   6.500   7.281
  317    H    ASN  45           HN       ASN  45  -3.929   2.166  11.316
  318    HA   ASN  45           HA       ASN  45  -5.583   0.226  12.472
  319   1HB   ASN  45          HB2       ASN  45  -4.522   2.778  13.719
  320   2HB   ASN  45          HB1       ASN  45  -5.125   1.374  14.595
  321   1HD2  ASN  45          HD21      ASN  45  -2.402   2.898  13.775
  322   2HD2  ASN  45          HD22      ASN  45  -1.306   1.567  13.730
  323    H    CYS  46           HN       CYS  46  -7.745   0.176  12.454
  324    HA   CYS  46           HA       CYS  46  -9.231   2.646  12.996
  325   1HB   CYS  46          HB2       CYS  46 -10.840   2.173  11.210
  326   2HB   CYS  46          HB1       CYS  46  -9.218   2.394  10.555
  Start of MODEL   10
    1   1H    LYS   1          HT1       LYS   1 -10.867  -4.101  15.086
    2   2H    LYS   1          HT2       LYS   1  -9.412  -4.961  15.155
    3   3H    LYS   1          HT3       LYS   1 -10.885  -5.788  15.237
    4    HA   LYS   1           HA       LYS   1  -9.949  -6.059  13.050
    5   1HB   LYS   1          HB2       LYS   1 -12.318  -4.169  13.147
    6   2HB   LYS   1          HB1       LYS   1 -11.854  -5.113  11.740
    7   1HG   LYS   1          HG2       LYS   1 -12.269  -7.179  12.987
    8   2HG   LYS   1          HG1       LYS   1 -12.744  -6.227  14.398
    9   1HD   LYS   1          HD2       LYS   1 -14.593  -5.255  13.158
   10   2HD   LYS   1          HD1       LYS   1 -14.091  -6.104  11.696
   11   1HE   LYS   1          HE2       LYS   1 -15.969  -7.239  12.723
   12   2HE   LYS   1          HE1       LYS   1 -14.528  -8.253  12.811
   13   1HZ   LYS   1          HZ1       LYS   1 -15.278  -6.501  15.071
   14   2HZ   LYS   1          HZ2       LYS   1 -14.326  -7.899  15.085
   15   3HZ   LYS   1          HZ3       LYS   1 -16.001  -8.021  14.887
   16    H    THR   2           HN       THR   2  -9.120  -5.158  11.101
   17    HA   THR   2           HA       THR   2  -8.408  -2.302  11.238
   18    HB   THR   2           HB       THR   2  -6.217  -2.849  10.201
   19    HG1  THR   2           HG1      THR   2  -6.385  -4.794   9.297
   20   1HG2  THR   2          HG21      THR   2  -5.978  -2.533  12.485
   21   2HG2  THR   2          HG22      THR   2  -5.221  -4.098  12.189
   22   3HG2  THR   2          HG23      THR   2  -6.841  -4.020  12.879
   23    H    CYS   3           HN       CYS   3  -8.542  -1.159   9.348
   24    HA   CYS   3           HA       CYS   3  -9.534  -2.669   7.016
   25   1HB   CYS   3          HB2       CYS   3 -10.642  -0.491   6.375
   26   2HB   CYS   3          HB1       CYS   3 -11.260  -1.238   7.846
   27    H    GLU   4           HN       GLU   4  -8.515  -2.490   5.090
   28    HA   GLU   4           HA       GLU   4  -6.234  -0.634   4.985
   29   1HB   GLU   4          HB2       GLU   4  -5.166  -2.126   3.415
   30   2HB   GLU   4          HB1       GLU   4  -5.632  -3.033   4.845
   31   1HG   GLU   4          HG2       GLU   4  -7.508  -3.993   3.681
   32   2HG   GLU   4          HG1       GLU   4  -7.189  -2.991   2.266
   33    H    HIS   5           HN       HIS   5  -5.696   0.278   2.892
   34    HA   HIS   5           HA       HIS   5  -7.874   0.436   0.954
   35   1HB   HIS   5          HB2       HIS   5  -6.726   2.882   2.322
   36   2HB   HIS   5          HB1       HIS   5  -7.842   2.910   0.963
   37    HD1  HIS   5           HD1      HIS   5 -10.155   1.355   1.637
   38    HD2  HIS   5           HD2      HIS   5  -8.035   3.317   4.622
   39    HE1  HIS   5           HE1      HIS   5 -11.761   1.584   3.563
   40    HE2  HIS   5           HE2      HIS   5 -10.432   2.714   5.382
   41    H    LEU   6           HN       LEU   6  -7.234   0.972  -1.101
   42    HA   LEU   6           HA       LEU   6  -4.397   0.757  -1.660
   43   1HB   LEU   6          HB2       LEU   6  -5.932  -0.545  -2.974
   44   2HB   LEU   6          HB1       LEU   6  -6.852   0.886  -3.411
   45    HG   LEU   6           HG       LEU   6  -4.017   0.327  -4.293
   46   1HD1  LEU   6          HD11      LEU   6  -6.088   0.300  -6.309
   47   2HD1  LEU   6          HD12      LEU   6  -6.357  -0.931  -5.076
   48   3HD1  LEU   6          HD13      LEU   6  -4.836  -0.889  -5.961
   49   1HD2  LEU   6          HD21      LEU   6  -5.224   2.070  -6.061
   50   2HD2  LEU   6          HD22      LEU   6  -4.056   2.505  -4.815
   51   3HD2  LEU   6          HD23      LEU   6  -5.784   2.638  -4.491
   52    H    ALA   7           HN       ALA   7  -3.082   2.385  -2.280
   53    HA   ALA   7           HA       ALA   7  -4.148   5.088  -2.139
   54   1HB   ALA   7          HB1       ALA   7  -1.319   4.977  -2.689
   55   2HB   ALA   7          HB2       ALA   7  -1.750   3.906  -1.354
   56   3HB   ALA   7          HB3       ALA   7  -2.172   5.617  -1.284
   57    H    ASP   8           HN       ASP   8  -4.641   6.304  -3.831
   58    HA   ASP   8           HA       ASP   8  -4.231   5.376  -6.503
   59   1HB   ASP   8          HB2       ASP   8  -5.342   7.987  -5.469
   60   2HB   ASP   8          HB1       ASP   8  -5.362   7.488  -7.158
   61    H    THR   9           HN       THR   9  -2.060   6.855  -4.491
   62    HA   THR   9           HA       THR   9  -0.756   8.307  -6.701
   63    HB   THR   9           HB       THR   9   0.588   9.434  -4.961
   64    HG1  THR   9           HG1      THR   9  -1.073   8.529  -2.922
   65   1HG2  THR   9          HG21      THR   9  -1.066  10.908  -5.262
   66   2HG2  THR   9          HG22      THR   9  -1.571  10.387  -3.655
   67   3HG2  THR   9          HG23      THR   9  -2.330   9.692  -5.087
   68    H    TYR  10           HN       TYR  10  -0.667   5.675  -6.899
   69    HA   TYR  10           HA       TYR  10   1.954   4.817  -5.888
   70   1HB   TYR  10          HB2       TYR  10   0.009   3.403  -5.266
   71   2HB   TYR  10          HB1       TYR  10  -0.374   3.182  -6.966
   72    HD1  TYR  10           HD1      TYR  10  -0.012   0.982  -7.540
   73    HD2  TYR  10           HD2      TYR  10   2.838   2.955  -5.070
   74    HE1  TYR  10           HE1      TYR  10   1.469  -0.980  -7.683
   75    HE2  TYR  10           HE2      TYR  10   4.315   0.996  -5.204
   76    HH   TYR  10           HH       TYR  10   4.646  -0.911  -6.944
   77    H    ARG  11           HN       ARG  11   2.574   2.873  -7.799
   78    HA   ARG  11           HA       ARG  11   3.073   4.498 -10.173
   79   1HB   ARG  11          HB2       ARG  11   4.520   1.969  -9.393
   80   2HB   ARG  11          HB1       ARG  11   5.089   3.287 -10.409
   81   1HG   ARG  11          HG2       ARG  11   5.137   4.739  -8.370
   82   2HG   ARG  11          HG1       ARG  11   4.736   3.313  -7.414
   83   1HD   ARG  11          HD2       ARG  11   7.155   3.784  -7.426
   84   2HD   ARG  11          HD1       ARG  11   6.764   2.209  -8.115
   85    HE   ARG  11           HE       ARG  11   6.908   4.103 -10.188
   86   1HH1  ARG  11          HH11      ARG  11   9.014   2.492  -7.934
   87   2HH1  ARG  11          HH12      ARG  11  10.389   2.565  -8.976
   88   1HH2  ARG  11          HH21      ARG  11   8.711   4.198 -11.554
   89   2HH2  ARG  11          HH22      ARG  11  10.219   3.540 -11.026
   90    H    GLY  12           HN       GLY  12   3.963   2.068 -11.620
   91   1HA   GLY  12          HA2       GLY  12   1.389   1.317 -12.705
   92   2HA   GLY  12          HA1       GLY  12   2.968   0.819 -13.311
   93    H    VAL  13           HN       VAL  13   3.519  -1.251 -12.995
   94    HA   VAL  13           HA       VAL  13   1.841  -2.888 -11.255
   95    HB   VAL  13           HB       VAL  13   3.985  -3.732 -13.212
   96   1HG1  VAL  13          HG11      VAL  13   2.090  -5.266 -11.468
   97   2HG1  VAL  13          HG12      VAL  13   3.821  -5.499 -11.705
   98   3HG1  VAL  13          HG13      VAL  13   2.688  -5.949 -12.980
   99   1HG2  VAL  13          HG21      VAL  13   0.985  -3.581 -13.450
  100   2HG2  VAL  13          HG22      VAL  13   2.013  -4.473 -14.571
  101   3HG2  VAL  13          HG23      VAL  13   2.188  -2.726 -14.416
  102    H    CYS  14           HN       CYS  14   2.577  -4.159  -9.555
  103    HA   CYS  14           HA       CYS  14   5.167  -3.330  -8.421
  104   1HB   CYS  14          HB2       CYS  14   3.304  -3.116  -6.885
  105   2HB   CYS  14          HB1       CYS  14   2.851  -4.802  -7.141
  106    H    PHE  15           HN       PHE  15   6.685  -4.814  -7.597
  107    HA   PHE  15           HA       PHE  15   6.429  -7.576  -8.575
  108   1HB   PHE  15          HB2       PHE  15   8.955  -5.911  -8.676
  109   2HB   PHE  15          HB1       PHE  15   8.822  -7.608  -9.132
  110    HD1  PHE  15           HD1      PHE  15   7.099  -4.389  -9.937
  111    HD2  PHE  15           HD2      PHE  15   8.763  -8.032 -11.366
  112    HE1  PHE  15           HE1      PHE  15   6.558  -3.724 -12.239
  113    HE2  PHE  15           HE2      PHE  15   8.228  -7.374 -13.676
  114    HZ   PHE  15           HZ       PHE  15   7.123  -5.218 -14.115
  115    H    THR  16           HN       THR  16   8.141  -5.419  -6.309
  116    HA   THR  16           HA       THR  16   8.475  -7.727  -4.499
  117    HB   THR  16           HB       THR  16  10.441  -6.582  -3.575
  118    HG1  THR  16           HG1      THR  16  10.810  -4.564  -4.012
  119   1HG2  THR  16          HG21      THR  16  11.245  -6.282  -6.331
  120   2HG2  THR  16          HG22      THR  16  10.352  -7.779  -6.063
  121   3HG2  THR  16          HG23      THR  16  11.793  -7.430  -5.110
  122    H    ASN  17           HN       ASN  17   7.721  -7.593  -2.448
  123    HA   ASN  17           HA       ASN  17   5.679  -6.037  -1.631
  124   1HB   ASN  17          HB2       ASN  17   7.927  -7.031   0.142
  125   2HB   ASN  17          HB1       ASN  17   6.324  -6.558   0.693
  126   1HD2  ASN  17          HD21      ASN  17   5.096  -8.241   1.140
  127   2HD2  ASN  17          HD22      ASN  17   5.102  -9.751   0.302
  128    H    ALA  18           HN       ALA  18   9.110  -5.237  -1.124
  129    HA   ALA  18           HA       ALA  18   9.015  -2.975   0.383
  130   1HB   ALA  18          HB1       ALA  18  11.056  -2.240  -0.809
  131   2HB   ALA  18          HB2       ALA  18  10.767  -3.489  -2.019
  132   3HB   ALA  18          HB3       ALA  18  11.099  -3.942  -0.348
  133    H    SER  19           HN       SER  19   8.046  -3.248  -2.994
  134    HA   SER  19           HA       SER  19   8.047  -0.619  -3.832
  135   1HB   SER  19          HB2       SER  19   5.978  -2.749  -4.422
  136   2HB   SER  19          HB1       SER  19   6.170  -1.251  -5.331
  137    HG   SER  19           HG       SER  19   8.031  -3.387  -5.088
  138    H    CYS  20           HN       CYS  20   5.555  -2.259  -1.893
  139    HA   CYS  20           HA       CYS  20   3.933   0.139  -1.770
  140   1HB   CYS  20          HB2       CYS  20   3.599  -2.575  -0.517
  141   2HB   CYS  20          HB1       CYS  20   2.438  -1.267  -0.365
  142    H    ASP  21           HN       ASP  21   5.833  -1.837   0.494
  143    HA   ASP  21           HA       ASP  21   5.294  -0.679   2.901
  144   1HB   ASP  21          HB2       ASP  21   6.896  -2.527   2.594
  145   2HB   ASP  21          HB1       ASP  21   8.040  -1.422   1.855
  146    H    ASP  22           HN       ASP  22   8.047   0.417   0.912
  147    HA   ASP  22           HA       ASP  22   8.559   2.811   2.225
  148   1HB   ASP  22          HB2       ASP  22  10.068   1.908   0.542
  149   2HB   ASP  22          HB1       ASP  22   8.852   2.108  -0.712
  150    H    HIS  23           HN       HIS  23   6.727   2.313  -0.728
  151    HA   HIS  23           HA       HIS  23   5.702   4.761  -1.265
  152   1HB   HIS  23          HB2       HIS  23   5.362   2.925  -2.739
  153   2HB   HIS  23          HB1       HIS  23   4.505   2.006  -1.523
  154    HD1  HIS  23           HD1      HIS  23   3.799   5.534  -2.609
  155    HD2  HIS  23           HD2      HIS  23   2.126   1.794  -2.765
  156    HE1  HIS  23           HE1      HIS  23   1.433   5.900  -3.417
  157    HE2  HIS  23           HE2      HIS  23   0.383   3.609  -3.361
  158    H    CYS  24           HN       CYS  24   3.825   2.344   0.587
  159    HA   CYS  24           HA       CYS  24   1.795   4.026   1.412
  160   1HB   CYS  24          HB2       CYS  24   3.011   1.588   2.639
  161   2HB   CYS  24          HB1       CYS  24   1.783   2.485   3.525
  162    H    LYS  25           HN       LYS  25   4.778   3.332   3.269
  163    HA   LYS  25           HA       LYS  25   4.214   5.041   5.406
  164   1HB   LYS  25          HB2       LYS  25   6.855   4.092   4.301
  165   2HB   LYS  25          HB1       LYS  25   6.700   4.986   5.809
  166   1HG   LYS  25          HG2       LYS  25   5.365   3.226   6.774
  167   2HG   LYS  25          HG1       LYS  25   5.341   2.358   5.238
  168   1HD   LYS  25          HD2       LYS  25   7.751   2.033   5.362
  169   2HD   LYS  25          HD1       LYS  25   7.810   2.947   6.871
  170   1HE   LYS  25          HE2       LYS  25   6.596   1.286   8.036
  171   2HE   LYS  25          HE1       LYS  25   6.128   0.476   6.540
  172   1HZ   LYS  25          HZ1       LYS  25   8.959   0.713   7.377
  173   2HZ   LYS  25          HZ2       LYS  25   8.290  -0.322   6.212
  174   3HZ   LYS  25          HZ3       LYS  25   7.985  -0.584   7.862
  175    H    ASN  26           HN       ASN  26   5.967   5.752   2.398
  176    HA   ASN  26           HA       ASN  26   6.503   8.465   3.221
  177   1HB   ASN  26          HB2       ASN  26   7.036   6.910   0.711
  178   2HB   ASN  26          HB1       ASN  26   7.360   8.627   0.804
  179   1HD2  ASN  26          HD21      ASN  26   8.872   5.970   0.751
  180   2HD2  ASN  26          HD22      ASN  26  10.140   6.268   1.884
  181    H    LYS  27           HN       LYS  27   4.099   6.912   1.135
  182    HA   LYS  27           HA       LYS  27   3.147   9.495   0.185
  183   1HB   LYS  27          HB2       LYS  27   2.136   6.692  -0.289
  184   2HB   LYS  27          HB1       LYS  27   1.422   8.129  -1.009
  185   1HG   LYS  27          HG2       LYS  27   4.261   7.213  -1.397
  186   2HG   LYS  27          HG1       LYS  27   2.922   6.958  -2.533
  187   1HD   LYS  27          HD2       LYS  27   2.665   9.393  -2.750
  188   2HD   LYS  27          HD1       LYS  27   4.005   9.637  -1.626
  189   1HE   LYS  27          HE2       LYS  27   4.771   9.901  -3.909
  190   2HE   LYS  27          HE1       LYS  27   5.500   8.467  -3.186
  191   1HZ   LYS  27          HZ1       LYS  27   3.004   8.018  -4.625
  192   2HZ   LYS  27          HZ2       LYS  27   4.432   7.102  -4.613
  193   3HZ   LYS  27          HZ3       LYS  27   4.329   8.482  -5.584
  194    H    ALA  28           HN       ALA  28   1.832   6.858   2.193
  195    HA   ALA  28           HA       ALA  28  -0.032   8.830   3.336
  196   1HB   ALA  28          HB1       ALA  28  -1.067   6.142   3.527
  197   2HB   ALA  28          HB2       ALA  28  -0.748   6.574   1.846
  198   3HB   ALA  28          HB3       ALA  28  -1.804   7.585   2.832
  199    H    HIS  29           HN       HIS  29   1.558   9.158   4.899
  200    HA   HIS  29           HA       HIS  29   3.067   7.798   6.519
  201   1HB   HIS  29          HB2       HIS  29   2.602  10.204   6.742
  202   2HB   HIS  29          HB1       HIS  29   1.071   9.833   7.532
  203    HD1  HIS  29           HD1      HIS  29   4.761   9.064   8.125
  204    HD2  HIS  29           HD2      HIS  29   1.276   9.926  10.218
  205    HE1  HIS  29           HE1      HIS  29   5.440   9.170  10.548
  206    HE2  HIS  29           HE2      HIS  29   3.324   9.747  11.789
  207    H    LEU  30           HN       LEU  30   2.049   5.664   6.384
  208    HA   LEU  30           HA       LEU  30   0.416   5.111   8.777
  209   1HB   LEU  30          HB2       LEU  30   0.168   4.063   6.009
  210   2HB   LEU  30          HB1       LEU  30  -0.156   2.946   7.321
  211    HG   LEU  30           HG       LEU  30  -2.221   3.914   6.512
  212   1HD1  LEU  30          HD11      LEU  30  -2.731   3.555   8.654
  213   2HD1  LEU  30          HD12      LEU  30  -2.670   5.312   8.798
  214   3HD1  LEU  30          HD13      LEU  30  -1.267   4.342   9.242
  215   1HD2  LEU  30          HD21      LEU  30  -1.562   5.964   5.561
  216   2HD2  LEU  30          HD22      LEU  30  -0.891   6.544   7.085
  217   3HD2  LEU  30          HD23      LEU  30  -2.635   6.367   6.900
  218    H    ILE  31           HN       ILE  31   0.588   2.513   9.155
  219    HA   ILE  31           HA       ILE  31   3.250   2.159  10.030
  220    HB   ILE  31           HB       ILE  31   2.508  -0.054  10.832
  221   1HG1  ILE  31          HG12      ILE  31  -0.188   0.794   9.766
  222   2HG1  ILE  31          HG11      ILE  31   0.831  -0.473   9.080
  223   1HG2  ILE  31          HG21      ILE  31   0.883   0.860  12.481
  224   2HG2  ILE  31          HG22      ILE  31   0.848   2.351  11.540
  225   3HG2  ILE  31          HG23      ILE  31   2.349   1.821  12.300
  226   1HD1  ILE  31          HD11      ILE  31  -0.574  -1.726  10.350
  227   2HD1  ILE  31          HD12      ILE  31  -0.788  -0.464  11.558
  228   3HD1  ILE  31          HD13      ILE  31   0.693  -1.420  11.534
  229    H    SER  32           HN       SER  32   1.390   0.351   7.521
  230    HA   SER  32           HA       SER  32   3.907  -0.192   6.167
  231   1HB   SER  32          HB2       SER  32   2.191  -2.446   7.237
  232   2HB   SER  32          HB1       SER  32   3.532  -2.652   6.109
  233    HG   SER  32           HG       SER  32   4.450  -2.962   8.053
  234    H    GLY  33           HN       GLY  33   3.523  -1.610   4.146
  235   1HA   GLY  33          HA2       GLY  33   0.842  -1.311   2.994
  236   2HA   GLY  33          HA1       GLY  33   2.155  -0.447   2.199
  237    H    THR  34           HN       THR  34   0.341  -2.897   1.536
  238    HA   THR  34           HA       THR  34   2.573  -4.608   0.622
  239    HB   THR  34           HB       THR  34  -0.189  -5.522   1.450
  240    HG1  THR  34           HG1      THR  34   0.793  -6.336   3.224
  241   1HG2  THR  34          HG21      THR  34   0.433  -7.074  -0.163
  242   2HG2  THR  34          HG22      THR  34   0.974  -7.801   1.350
  243   3HG2  THR  34          HG23      THR  34   2.135  -7.004   0.292
  244    H    CYS  35           HN       CYS  35   2.359  -5.646  -1.401
  245    HA   CYS  35           HA       CYS  35   0.833  -4.110  -3.323
  246   1HB   CYS  35          HB2       CYS  35   2.809  -6.372  -3.681
  247   2HB   CYS  35          HB1       CYS  35   1.999  -5.550  -5.016
  248    H    HIS  36           HN       HIS  36  -0.869  -4.737  -4.477
  249    HA   HIS  36           HA       HIS  36  -1.826  -7.508  -4.220
  250   1HB   HIS  36          HB2       HIS  36  -3.459  -4.985  -3.890
  251   2HB   HIS  36          HB1       HIS  36  -4.178  -6.558  -4.214
  252    HD1  HIS  36           HD1      HIS  36  -3.272  -8.453  -2.328
  253    HD2  HIS  36           HD2      HIS  36  -3.421  -4.459  -1.255
  254    HE1  HIS  36           HE1      HIS  36  -3.423  -8.442   0.182
  255    HE2  HIS  36           HE2      HIS  36  -3.828  -6.016   0.771
  256    H    ASN  37           HN       ASN  37  -2.418  -8.405  -6.107
  257    HA   ASN  37           HA       ASN  37  -2.463  -8.739  -8.332
  258   1HB   ASN  37          HB2       ASN  37  -4.232  -7.251  -9.494
  259   2HB   ASN  37          HB1       ASN  37  -4.737  -8.298  -8.172
  260   1HD2  ASN  37          HD21      ASN  37  -5.071  -5.294  -9.434
  261   2HD2  ASN  37          HD22      ASN  37  -5.572  -4.444  -8.023
  262    H    TRP  38           HN       TRP  38  -2.715  -5.207  -8.502
  263    HA   TRP  38           HA       TRP  38  -0.051  -5.022  -9.651
  264   1HB   TRP  38          HB2       TRP  38  -2.286  -3.751 -11.213
  265   2HB   TRP  38          HB1       TRP  38  -0.654  -4.091 -11.722
  266    HD1  TRP  38           HD1      TRP  38  -3.802  -6.070 -10.829
  267    HE1  TRP  38           HE1      TRP  38  -3.973  -8.109 -12.417
  268    HE3  TRP  38           HE3      TRP  38   0.550  -5.441 -13.383
  269    HZ2  TRP  38           HZ2      TRP  38  -2.440  -9.278 -14.472
  270    HZ3  TRP  38           HZ3      TRP  38   1.144  -7.056 -15.149
  271    HH2  TRP  38           HH2      TRP  38  -0.323  -8.938 -15.679
  272    H    LYS  39           HN       LYS  39  -1.417  -4.079  -7.196
  273    HA   LYS  39           HA       LYS  39  -0.766  -1.236  -7.462
  274   1HB   LYS  39          HB2       LYS  39  -3.437  -2.266  -6.511
  275   2HB   LYS  39          HB1       LYS  39  -2.891  -0.609  -6.293
  276   1HG   LYS  39          HG2       LYS  39  -2.713  -0.380  -8.746
  277   2HG   LYS  39          HG1       LYS  39  -3.363  -2.016  -8.914
  278   1HD   LYS  39          HD2       LYS  39  -5.409  -1.340  -7.782
  279   2HD   LYS  39          HD1       LYS  39  -4.759   0.284  -7.552
  280   1HE   LYS  39          HE2       LYS  39  -4.631   0.523 -10.021
  281   2HE   LYS  39          HE1       LYS  39  -5.417  -1.051 -10.172
  282   1HZ   LYS  39          HZ1       LYS  39  -7.374  -0.201  -9.111
  283   2HZ   LYS  39          HZ2       LYS  39  -6.961   0.873 -10.352
  284   3HZ   LYS  39          HZ3       LYS  39  -6.616   1.268  -8.744
  285    H    CYS  40           HN       CYS  40  -1.343  -0.166  -5.139
  286    HA   CYS  40           HA       CYS  40  -0.148  -1.908  -3.094
  287   1HB   CYS  40          HB2       CYS  40   0.411   0.951  -3.786
  288   2HB   CYS  40          HB1       CYS  40   0.652   0.371  -2.141
  289    H    PHE  41           HN       PHE  41  -1.184  -2.134  -1.252
  290    HA   PHE  41           HA       PHE  41  -3.356  -0.245  -0.612
  291   1HB   PHE  41          HB2       PHE  41  -3.201  -3.205   0.016
  292   2HB   PHE  41          HB1       PHE  41  -4.472  -2.120   0.568
  293    HD1  PHE  41           HD1      PHE  41  -2.900  -2.449  -2.815
  294    HD2  PHE  41           HD2      PHE  41  -6.398  -2.853  -0.430
  295    HE1  PHE  41           HE1      PHE  41  -4.207  -2.961  -4.828
  296    HE2  PHE  41           HE2      PHE  41  -7.712  -3.366  -2.443
  297    HZ   PHE  41           HZ       PHE  41  -6.616  -3.425  -4.647
  298    H    CYS  42           HN       CYS  42  -3.372   0.603   1.437
  299    HA   CYS  42           HA       CYS  42  -1.052  -0.103   3.108
  300   1HB   CYS  42          HB2       CYS  42  -2.734   2.414   3.088
  301   2HB   CYS  42          HB1       CYS  42  -1.293   2.138   4.052
  302    H    THR  43           HN       THR  43  -1.387  -0.060   5.463
  303    HA   THR  43           HA       THR  43  -4.048  -1.097   6.161
  304    HB   THR  43           HB       THR  43  -2.864  -2.177   8.043
  305    HG1  THR  43           HG1      THR  43  -1.163  -0.658   8.225
  306   1HG2  THR  43          HG21      THR  43  -2.737  -3.847   6.581
  307   2HG2  THR  43          HG22      THR  43  -1.060  -3.348   6.352
  308   3HG2  THR  43          HG23      THR  43  -2.312  -2.764   5.256
  309    H    GLN  44           HN       GLN  44  -5.327   0.078   7.462
  310    HA   GLN  44           HA       GLN  44  -4.056   2.038   9.251
  311   1HB   GLN  44          HB2       GLN  44  -4.881   3.226   7.292
  312   2HB   GLN  44          HB1       GLN  44  -6.471   2.502   7.492
  313   1HG   GLN  44          HG2       GLN  44  -6.769   3.687   9.591
  314   2HG   GLN  44          HG1       GLN  44  -5.154   4.378   9.445
  315   1HE2  GLN  44          HE21      GLN  44  -5.204   6.411   8.835
  316   2HE2  GLN  44          HE22      GLN  44  -6.335   7.121   7.743
  317    H    ASN  45           HN       ASN  45  -4.846   2.166  11.267
  318    HA   ASN  45           HA       ASN  45  -6.644   0.149  12.185
  319   1HB   ASN  45          HB2       ASN  45  -5.465   2.551  13.603
  320   2HB   ASN  45          HB1       ASN  45  -6.351   1.251  14.392
  321   1HD2  ASN  45          HD21      ASN  45  -3.357   2.373  13.820
  322   2HD2  ASN  45          HD22      ASN  45  -2.468   0.900  13.921
  323    H    CYS  46           HN       CYS  46  -8.807   0.255  12.491
  324    HA   CYS  46           HA       CYS  46 -10.135   2.825  12.792
  325   1HB   CYS  46          HB2       CYS  46 -11.753   2.380  10.983
  326   2HB   CYS  46          HB1       CYS  46 -10.117   2.548  10.360
  Start of MODEL   11
    1   1H    LYS   1          HT1       LYS   1  -9.574  -5.465  14.542
    2   2H    LYS   1          HT2       LYS   1 -10.974  -6.361  14.230
    3   3H    LYS   1          HT3       LYS   1 -11.015  -4.671  14.146
    4    HA   LYS   1           HA       LYS   1  -9.409  -6.416  12.356
    5   1HB   LYS   1          HB2       LYS   1 -12.036  -4.974  11.902
    6   2HB   LYS   1          HB1       LYS   1 -11.094  -5.743  10.634
    7   1HG   LYS   1          HG2       LYS   1 -11.397  -7.914  11.711
    8   2HG   LYS   1          HG1       LYS   1 -12.331  -7.147  12.999
    9   1HD   LYS   1          HD2       LYS   1 -13.997  -6.413  11.366
   10   2HD   LYS   1          HD1       LYS   1 -13.060  -7.151  10.067
   11   1HE   LYS   1          HE2       LYS   1 -14.289  -8.623  12.400
   12   2HE   LYS   1          HE1       LYS   1 -14.963  -8.546  10.771
   13   1HZ   LYS   1          HZ1       LYS   1 -12.839  -9.582   9.988
   14   2HZ   LYS   1          HZ2       LYS   1 -13.794 -10.585  10.960
   15   3HZ   LYS   1          HZ3       LYS   1 -12.422  -9.839  11.609
   16    H    THR   2           HN       THR   2  -9.166  -4.990  10.199
   17    HA   THR   2           HA       THR   2  -8.447  -2.233  10.913
   18    HB   THR   2           HB       THR   2  -6.298  -2.457   9.701
   19    HG1  THR   2           HG1      THR   2  -5.602  -4.407   9.001
   20   1HG2  THR   2          HG21      THR   2  -6.732  -3.181  12.270
   21   2HG2  THR   2          HG22      THR   2  -5.146  -3.097  11.502
   22   3HG2  THR   2          HG23      THR   2  -5.987  -4.642  11.620
   23    H    CYS   3           HN       CYS   3  -7.948  -0.899   8.940
   24    HA   CYS   3           HA       CYS   3  -9.643  -1.797   6.694
   25   1HB   CYS   3          HB2       CYS   3  -9.200   1.001   7.748
   26   2HB   CYS   3          HB1       CYS   3 -10.090   0.624   6.277
   27    H    GLU   4           HN       GLU   4  -8.817  -1.850   4.714
   28    HA   GLU   4           HA       GLU   4  -6.174  -0.624   4.259
   29   1HB   GLU   4          HB2       GLU   4  -7.300  -3.165   3.073
   30   2HB   GLU   4          HB1       GLU   4  -5.799  -2.409   2.560
   31   1HG   GLU   4          HG2       GLU   4  -4.910  -2.717   4.843
   32   2HG   GLU   4          HG1       GLU   4  -6.390  -3.573   5.269
   33    H    HIS   5           HN       HIS   5  -5.858   0.568   2.450
   34    HA   HIS   5           HA       HIS   5  -7.902   0.608   0.372
   35   1HB   HIS   5          HB2       HIS   5  -7.104   3.088   1.909
   36   2HB   HIS   5          HB1       HIS   5  -8.052   3.091   0.426
   37    HD1  HIS   5           HD1      HIS   5 -10.237   1.236   0.780
   38    HD2  HIS   5           HD2      HIS   5  -8.745   3.369   4.017
   39    HE1  HIS   5           HE1      HIS   5 -12.079   1.227   2.493
   40    HE2  HIS   5           HE2      HIS   5 -11.156   2.528   4.445
   41    H    LEU   6           HN       LEU   6  -7.238   1.472  -1.596
   42    HA   LEU   6           HA       LEU   6  -4.377   1.337  -2.050
   43   1HB   LEU   6          HB2       LEU   6  -5.902   0.141  -3.532
   44   2HB   LEU   6          HB1       LEU   6  -6.719   1.637  -3.940
   45    HG   LEU   6           HG       LEU   6  -3.819   1.122  -4.602
   46   1HD1  LEU   6          HD11      LEU   6  -4.982   0.895  -6.963
   47   2HD1  LEU   6          HD12      LEU   6  -6.325   0.313  -5.980
   48   3HD1  LEU   6          HD13      LEU   6  -4.762  -0.498  -5.906
   49   1HD2  LEU   6          HD21      LEU   6  -5.043   2.818  -6.439
   50   2HD2  LEU   6          HD22      LEU   6  -3.890   3.270  -5.184
   51   3HD2  LEU   6          HD23      LEU   6  -5.623   3.360  -4.867
   52    H    ALA   7           HN       ALA   7  -3.075   3.032  -2.436
   53    HA   ALA   7           HA       ALA   7  -4.174   5.696  -2.104
   54   1HB   ALA   7          HB1       ALA   7  -1.585   4.423  -1.756
   55   2HB   ALA   7          HB2       ALA   7  -2.262   5.838  -0.959
   56   3HB   ALA   7          HB3       ALA   7  -1.467   6.006  -2.525
   57    H    ASP   8           HN       ASP   8  -4.825   6.896  -3.760
   58    HA   ASP   8           HA       ASP   8  -4.169   6.219  -6.471
   59   1HB   ASP   8          HB2       ASP   8  -5.812   8.468  -5.298
   60   2HB   ASP   8          HB1       ASP   8  -5.650   8.160  -7.024
   61    H    THR   9           HN       THR   9  -1.826   6.609  -5.653
   62    HA   THR   9           HA       THR   9  -0.942   9.086  -6.908
   63    HB   THR   9           HB       THR   9   0.771   9.421  -5.050
   64    HG1  THR   9           HG1      THR   9   0.728   8.059  -3.489
   65   1HG2  THR   9          HG21      THR   9  -0.761  11.098  -4.969
   66   2HG2  THR   9          HG22      THR   9  -1.053  10.330  -3.409
   67   3HG2  THR   9          HG23      THR   9  -2.124   9.998  -4.770
   68    H    TYR  10           HN       TYR  10  -0.024   5.991  -5.455
   69    HA   TYR  10           HA       TYR  10   2.055   5.696  -7.530
   70   1HB   TYR  10          HB2       TYR  10   3.153   5.783  -5.378
   71   2HB   TYR  10          HB1       TYR  10   2.024   4.607  -4.711
   72    HD1  TYR  10           HD1      TYR  10   2.932   2.537  -4.346
   73    HD2  TYR  10           HD2      TYR  10   4.255   4.774  -7.711
   74    HE1  TYR  10           HE1      TYR  10   4.458   0.704  -4.950
   75    HE2  TYR  10           HE2      TYR  10   5.785   2.944  -8.328
   76    HH   TYR  10           HH       TYR  10   6.975   0.974  -6.916
   77    H    ARG  11           HN       ARG  11   1.221   4.401  -9.068
   78    HA   ARG  11           HA       ARG  11   0.126   1.820  -8.257
   79   1HB   ARG  11          HB2       ARG  11  -1.401   3.731 -10.030
   80   2HB   ARG  11          HB1       ARG  11  -1.878   2.078  -9.661
   81   1HG   ARG  11          HG2       ARG  11  -2.094   2.662  -7.290
   82   2HG   ARG  11          HG1       ARG  11  -1.603   4.316  -7.652
   83   1HD   ARG  11          HD2       ARG  11  -4.063   2.920  -8.715
   84   2HD   ARG  11          HD1       ARG  11  -4.032   4.139  -7.438
   85    HE   ARG  11           HE       ARG  11  -2.828   5.194  -9.756
   86   1HH1  ARG  11          HH11      ARG  11  -5.964   4.316  -8.529
   87   2HH1  ARG  11          HH12      ARG  11  -6.811   5.398  -9.574
   88   1HH2  ARG  11          HH21      ARG  11  -3.944   6.609 -11.126
   89   2HH2  ARG  11          HH22      ARG  11  -5.669   6.697 -11.050
   90    H    GLY  12           HN       GLY  12   1.360   0.422  -9.311
   91   1HA   GLY  12          HA2       GLY  12   1.456   0.421 -12.198
   92   2HA   GLY  12          HA1       GLY  12   3.016   0.740 -11.444
   93    H    VAL  13           HN       VAL  13   3.863  -1.207 -12.304
   94    HA   VAL  13           HA       VAL  13   2.669  -3.726 -11.443
   95    HB   VAL  13           HB       VAL  13   5.198  -3.286 -13.043
   96   1HG1  VAL  13          HG11      VAL  13   3.559  -5.724 -12.412
   97   2HG1  VAL  13          HG12      VAL  13   5.275  -5.453 -12.127
   98   3HG1  VAL  13          HG13      VAL  13   4.680  -5.667 -13.773
   99   1HG2  VAL  13          HG21      VAL  13   2.451  -3.983 -14.076
  100   2HG2  VAL  13          HG22      VAL  13   3.910  -3.707 -15.028
  101   3HG2  VAL  13          HG23      VAL  13   3.166  -2.373 -14.147
  102    H    CYS  14           HN       CYS  14   3.102  -4.361  -9.395
  103    HA   CYS  14           HA       CYS  14   5.692  -3.659  -8.203
  104   1HB   CYS  14          HB2       CYS  14   3.780  -3.173  -6.803
  105   2HB   CYS  14          HB1       CYS  14   3.207  -4.837  -6.948
  106    H    PHE  15           HN       PHE  15   7.211  -5.084  -7.586
  107    HA   PHE  15           HA       PHE  15   6.761  -7.923  -8.216
  108   1HB   PHE  15          HB2       PHE  15   9.357  -6.370  -8.366
  109   2HB   PHE  15          HB1       PHE  15   9.182  -8.095  -8.682
  110    HD1  PHE  15           HD1      PHE  15   9.079  -8.742 -10.864
  111    HD2  PHE  15           HD2      PHE  15   7.675  -4.861  -9.825
  112    HE1  PHE  15           HE1      PHE  15   8.653  -8.263 -13.239
  113    HE2  PHE  15           HE2      PHE  15   7.240  -4.377 -12.197
  114    HZ   PHE  15           HZ       PHE  15   7.731  -6.080 -13.908
  115    H    THR  16           HN       THR  16   8.451  -5.674  -6.036
  116    HA   THR  16           HA       THR  16   8.680  -7.862  -4.073
  117    HB   THR  16           HB       THR  16  10.559  -6.630  -3.085
  118    HG1  THR  16           HG1      THR  16  11.140  -4.692  -3.767
  119   1HG2  THR  16          HG21      THR  16  11.433  -6.521  -5.871
  120   2HG2  THR  16          HG22      THR  16  10.702  -8.050  -5.385
  121   3HG2  THR  16          HG23      THR  16  12.091  -7.416  -4.502
  122    H    ASN  17           HN       ASN  17   8.096  -7.501  -1.944
  123    HA   ASN  17           HA       ASN  17   5.849  -6.022  -1.395
  124   1HB   ASN  17          HB2       ASN  17   8.014  -6.866   0.547
  125   2HB   ASN  17          HB1       ASN  17   6.368  -6.419   0.985
  126   1HD2  ASN  17          HD21      ASN  17   5.095  -8.094   1.359
  127   2HD2  ASN  17          HD22      ASN  17   5.227  -9.653   0.627
  128    H    ALA  18           HN       ALA  18   9.203  -4.984  -1.165
  129    HA   ALA  18           HA       ALA  18   8.946  -2.681   0.381
  130   1HB   ALA  18          HB1       ALA  18  10.999  -3.954  -0.850
  131   2HB   ALA  18          HB2       ALA  18  11.115  -2.371  -0.082
  132   3HB   ALA  18          HB3       ALA  18  10.870  -2.489  -1.824
  133    H    SER  19           HN       SER  19   8.007  -3.187  -2.950
  134    HA   SER  19           HA       SER  19   8.108  -0.606  -3.966
  135   1HB   SER  19          HB2       SER  19   6.071  -2.773  -4.522
  136   2HB   SER  19          HB1       SER  19   6.287  -1.330  -5.509
  137    HG   SER  19           HG       SER  19   8.652  -2.598  -5.105
  138    H    CYS  20           HN       CYS  20   5.318  -2.114  -2.301
  139    HA   CYS  20           HA       CYS  20   3.822   0.351  -2.256
  140   1HB   CYS  20          HB2       CYS  20   3.373  -2.318  -0.942
  141   2HB   CYS  20          HB1       CYS  20   2.232  -0.987  -0.856
  142    H    ASP  21           HN       ASP  21   5.684  -1.537   0.068
  143    HA   ASP  21           HA       ASP  21   5.037  -0.298   2.432
  144   1HB   ASP  21          HB2       ASP  21   6.643  -2.213   2.125
  145   2HB   ASP  21          HB1       ASP  21   7.855  -1.044   1.607
  146    H    ASP  22           HN       ASP  22   7.739   0.632   0.290
  147    HA   ASP  22           HA       ASP  22   8.464   3.041   1.478
  148   1HB   ASP  22          HB2       ASP  22   9.628   1.869  -0.444
  149   2HB   ASP  22          HB1       ASP  22   8.392   2.526  -1.508
  150    H    HIS  23           HN       HIS  23   6.116   2.419  -1.098
  151    HA   HIS  23           HA       HIS  23   5.141   4.974  -1.557
  152   1HB   HIS  23          HB2       HIS  23   4.464   3.168  -2.964
  153   2HB   HIS  23          HB1       HIS  23   3.792   2.277  -1.621
  154    HD1  HIS  23           HD1      HIS  23   3.063   5.853  -2.694
  155    HD2  HIS  23           HD2      HIS  23   1.170   2.213  -2.167
  156    HE1  HIS  23           HE1      HIS  23   0.635   6.259  -3.212
  157    HE2  HIS  23           HE2      HIS  23  -0.411   3.993  -3.143
  158    H    CYS  24           HN       CYS  24   3.635   2.542   0.562
  159    HA   CYS  24           HA       CYS  24   1.796   4.273   1.754
  160   1HB   CYS  24          HB2       CYS  24   3.052   1.712   2.704
  161   2HB   CYS  24          HB1       CYS  24   1.857   2.573   3.671
  162    H    LYS  25           HN       LYS  25   5.146   3.571   2.665
  163    HA   LYS  25           HA       LYS  25   5.092   4.989   5.123
  164   1HB   LYS  25          HB2       LYS  25   6.804   3.307   4.513
  165   2HB   LYS  25          HB1       LYS  25   7.442   4.418   3.311
  166   1HG   LYS  25          HG2       LYS  25   8.029   6.001   5.075
  167   2HG   LYS  25          HG1       LYS  25   7.373   4.893   6.283
  168   1HD   LYS  25          HD2       LYS  25   9.020   3.200   5.624
  169   2HD   LYS  25          HD1       LYS  25   9.674   4.305   4.414
  170   1HE   LYS  25          HE2       LYS  25  11.084   4.351   6.363
  171   2HE   LYS  25          HE1       LYS  25  10.234   5.891   6.231
  172   1HZ   LYS  25          HZ1       LYS  25   9.661   3.661   8.103
  173   2HZ   LYS  25          HZ2       LYS  25   8.578   4.932   7.846
  174   3HZ   LYS  25          HZ3       LYS  25  10.112   5.247   8.485
  175    H    ASN  26           HN       ASN  26   5.947   5.955   1.826
  176    HA   ASN  26           HA       ASN  26   6.571   8.672   2.661
  177   1HB   ASN  26          HB2       ASN  26   6.696   7.238   0.015
  178   2HB   ASN  26          HB1       ASN  26   7.081   8.930   0.188
  179   1HD2  ASN  26          HD21      ASN  26   8.416   6.165  -0.207
  180   2HD2  ASN  26          HD22      ASN  26   9.885   6.381   0.666
  181    H    LYS  27           HN       LYS  27   3.910   6.993   1.090
  182    HA   LYS  27           HA       LYS  27   2.668   9.416   0.104
  183   1HB   LYS  27          HB2       LYS  27   2.459   7.120  -0.957
  184   2HB   LYS  27          HB1       LYS  27   1.429   6.667   0.388
  185   1HG   LYS  27          HG2       LYS  27   0.847   8.899  -1.556
  186   2HG   LYS  27          HG1       LYS  27   0.191   7.261  -1.653
  187   1HD   LYS  27          HD2       LYS  27  -1.100   7.555   0.298
  188   2HD   LYS  27          HD1       LYS  27  -0.212   8.999   0.774
  189   1HE   LYS  27          HE2       LYS  27  -2.409   9.588  -0.082
  190   2HE   LYS  27          HE1       LYS  27  -1.138  10.213  -1.130
  191   1HZ   LYS  27          HZ1       LYS  27  -2.672   7.722  -1.649
  192   2HZ   LYS  27          HZ2       LYS  27  -1.533   8.431  -2.688
  193   3HZ   LYS  27          HZ3       LYS  27  -3.004   9.219  -2.364
  194    H    ALA  28           HN       ALA  28   1.793   6.987   2.557
  195    HA   ALA  28           HA       ALA  28   0.589   9.098   4.182
  196   1HB   ALA  28          HB1       ALA  28  -0.826   6.610   3.247
  197   2HB   ALA  28          HB2       ALA  28  -1.314   8.290   3.017
  198   3HB   ALA  28          HB3       ALA  28  -1.370   7.567   4.625
  199    H    HIS  29           HN       HIS  29   2.299   8.871   5.541
  200    HA   HIS  29           HA       HIS  29   3.707   6.871   6.563
  201   1HB   HIS  29          HB2       HIS  29   4.002   9.264   7.110
  202   2HB   HIS  29          HB1       HIS  29   2.634   9.164   8.217
  203    HD1  HIS  29           HD1      HIS  29   5.912   7.265   7.782
  204    HD2  HIS  29           HD2      HIS  29   3.501   8.880  10.753
  205    HE1  HIS  29           HE1      HIS  29   7.134   6.839   9.945
  206    HE2  HIS  29           HE2      HIS  29   5.723   7.959  11.709
  207    H    LEU  30           HN       LEU  30   2.051   5.157   6.436
  208    HA   LEU  30           HA       LEU  30   0.566   4.806   8.951
  209   1HB   LEU  30          HB2       LEU  30   0.213   3.743   6.195
  210   2HB   LEU  30          HB1       LEU  30  -0.282   2.709   7.523
  211    HG   LEU  30           HG       LEU  30  -2.173   3.965   6.633
  212   1HD1  LEU  30          HD11      LEU  30  -1.849   3.460   9.133
  213   2HD1  LEU  30          HD12      LEU  30  -3.108   4.598   8.653
  214   3HD1  LEU  30          HD13      LEU  30  -1.577   5.196   9.291
  215   1HD2  LEU  30          HD21      LEU  30  -1.334   5.932   5.735
  216   2HD2  LEU  30          HD22      LEU  30  -0.433   6.334   7.196
  217   3HD2  LEU  30          HD23      LEU  30  -2.189   6.478   7.177
  218    H    ILE  31           HN       ILE  31   0.389   2.126   9.231
  219    HA   ILE  31           HA       ILE  31   2.887   1.474  10.345
  220    HB   ILE  31           HB       ILE  31   1.871  -0.720  10.872
  221   1HG1  ILE  31          HG12      ILE  31  -0.557   0.470   9.522
  222   2HG1  ILE  31          HG11      ILE  31   0.402  -0.880   8.923
  223   1HG2  ILE  31          HG21      ILE  31   1.656   0.832  12.567
  224   2HG2  ILE  31          HG22      ILE  31  -0.020   0.366  12.277
  225   3HG2  ILE  31          HG23      ILE  31   0.603   1.877  11.614
  226   1HD1  ILE  31          HD11      ILE  31  -0.543  -1.321  11.626
  227   2HD1  ILE  31          HD12      ILE  31  -0.700  -2.333  10.192
  228   3HD1  ILE  31          HD13      ILE  31  -1.857  -1.037  10.486
  229    H    SER  32           HN       SER  32   1.231   0.073   7.482
  230    HA   SER  32           HA       SER  32   3.794  -0.559   6.329
  231   1HB   SER  32          HB2       SER  32   3.593  -2.442   7.871
  232   2HB   SER  32          HB1       SER  32   2.006  -2.838   7.211
  233    HG   SER  32           HG       SER  32   4.553  -3.150   6.055
  234    H    GLY  33           HN       GLY  33   3.630  -1.567   4.182
  235   1HA   GLY  33          HA2       GLY  33   0.973  -1.355   2.919
  236   2HA   GLY  33          HA1       GLY  33   2.304  -0.410   2.261
  237    H    THR  34           HN       THR  34   0.582  -3.146   1.789
  238    HA   THR  34           HA       THR  34   2.870  -4.623   0.658
  239    HB   THR  34           HB       THR  34   1.731  -5.958   2.297
  240    HG1  THR  34           HG1      THR  34   0.614  -7.333   0.283
  241   1HG2  THR  34          HG21      THR  34  -0.819  -5.931   0.744
  242   2HG2  THR  34          HG22      THR  34  -0.516  -4.728   1.998
  243   3HG2  THR  34          HG23      THR  34  -0.519  -6.444   2.402
  244    H    CYS  35           HN       CYS  35   2.359  -5.939  -1.298
  245    HA   CYS  35           HA       CYS  35   0.933  -4.249  -3.226
  246   1HB   CYS  35          HB2       CYS  35   2.983  -6.437  -3.628
  247   2HB   CYS  35          HB1       CYS  35   2.181  -5.577  -4.942
  248    H    HIS  36           HN       HIS  36  -0.989  -4.825  -3.952
  249    HA   HIS  36           HA       HIS  36  -1.886  -7.607  -3.647
  250   1HB   HIS  36          HB2       HIS  36  -3.405  -5.031  -4.156
  251   2HB   HIS  36          HB1       HIS  36  -4.161  -6.621  -4.177
  252    HD1  HIS  36           HD1      HIS  36  -3.676  -8.014  -1.810
  253    HD2  HIS  36           HD2      HIS  36  -3.544  -3.869  -1.714
  254    HE1  HIS  36           HE1      HIS  36  -3.929  -7.388   0.611
  255    HE2  HIS  36           HE2      HIS  36  -3.928  -4.877   0.645
  256    H    ASN  37           HN       ASN  37  -3.884  -7.333  -5.801
  257    HA   ASN  37           HA       ASN  37  -2.460  -8.391  -7.946
  258   1HB   ASN  37          HB2       ASN  37  -5.105  -6.947  -8.140
  259   2HB   ASN  37          HB1       ASN  37  -4.491  -8.169  -9.247
  260   1HD2  ASN  37          HD21      ASN  37  -5.293 -10.118  -8.977
  261   2HD2  ASN  37          HD22      ASN  37  -5.936 -10.756  -7.508
  262    H    TRP  38           HN       TRP  38  -0.698  -6.881  -8.077
  263    HA   TRP  38           HA       TRP  38   0.532  -5.212  -8.990
  264   1HB   TRP  38          HB2       TRP  38  -1.636  -5.041 -11.081
  265   2HB   TRP  38          HB1       TRP  38   0.053  -4.597 -11.262
  266    HD1  TRP  38           HD1      TRP  38  -2.255  -7.363 -11.853
  267    HE1  TRP  38           HE1      TRP  38  -0.994  -9.530 -12.458
  268    HE3  TRP  38           HE3      TRP  38   2.449  -5.935 -10.522
  269    HZ2  TRP  38           HZ2      TRP  38   1.655 -10.494 -12.370
  270    HZ3  TRP  38           HZ3      TRP  38   4.298  -7.533 -10.808
  271    HH2  TRP  38           HH2      TRP  38   3.907  -9.766 -11.713
  272    H    LYS  39           HN       LYS  39  -0.831  -4.259  -6.890
  273    HA   LYS  39           HA       LYS  39  -0.982  -1.474  -7.482
  274   1HB   LYS  39          HB2       LYS  39  -3.298  -1.118  -6.649
  275   2HB   LYS  39          HB1       LYS  39  -3.206  -1.943  -8.195
  276   1HG   LYS  39          HG2       LYS  39  -3.561  -4.081  -7.054
  277   2HG   LYS  39          HG1       LYS  39  -3.726  -3.216  -5.522
  278   1HD   LYS  39          HD2       LYS  39  -5.643  -1.971  -6.455
  279   2HD   LYS  39          HD1       LYS  39  -5.475  -2.864  -7.964
  280   1HE   LYS  39          HE2       LYS  39  -6.085  -4.068  -5.267
  281   2HE   LYS  39          HE1       LYS  39  -7.263  -3.769  -6.549
  282   1HZ   LYS  39          HZ1       LYS  39  -5.786  -5.225  -7.977
  283   2HZ   LYS  39          HZ2       LYS  39  -6.662  -6.016  -6.759
  284   3HZ   LYS  39          HZ3       LYS  39  -5.012  -5.695  -6.547
  285    H    CYS  40           HN       CYS  40  -1.243  -0.114  -5.511
  286    HA   CYS  40           HA       CYS  40  -0.233  -1.603  -3.196
  287   1HB   CYS  40          HB2       CYS  40   0.224   1.224  -4.109
  288   2HB   CYS  40          HB1       CYS  40   0.635   0.658  -2.491
  289    H    PHE  41           HN       PHE  41  -1.293  -1.766  -1.433
  290    HA   PHE  41           HA       PHE  41  -3.376   0.209  -0.761
  291   1HB   PHE  41          HB2       PHE  41  -3.337  -2.774  -0.290
  292   2HB   PHE  41          HB1       PHE  41  -4.407  -1.693   0.597
  293    HD1  PHE  41           HD1      PHE  41  -6.547  -2.031  -0.098
  294    HD2  PHE  41           HD2      PHE  41  -3.450  -1.886  -3.005
  295    HE1  PHE  41           HE1      PHE  41  -8.221  -2.240  -1.886
  296    HE2  PHE  41           HE2      PHE  41  -5.109  -2.082  -4.794
  297    HZ   PHE  41           HZ       PHE  41  -7.502  -2.251  -4.246
  298    H    CYS  42           HN       CYS  42  -3.437   0.884   1.406
  299    HA   CYS  42           HA       CYS  42  -1.026   0.177   2.942
  300   1HB   CYS  42          HB2       CYS  42  -2.737   2.678   3.005
  301   2HB   CYS  42          HB1       CYS  42  -1.367   2.366   4.061
  302    H    THR  43           HN       THR  43  -1.263   0.073   5.292
  303    HA   THR  43           HA       THR  43  -3.887  -1.011   6.053
  304    HB   THR  43           HB       THR  43  -2.535  -2.137   7.882
  305    HG1  THR  43           HG1      THR  43  -0.336  -1.440   6.235
  306   1HG2  THR  43          HG21      THR  43  -1.240  -3.587   6.020
  307   2HG2  THR  43          HG22      THR  43  -2.472  -2.803   5.031
  308   3HG2  THR  43          HG23      THR  43  -2.947  -3.779   6.421
  309    H    GLN  44           HN       GLN  44  -5.066  -0.065   7.587
  310    HA   GLN  44           HA       GLN  44  -3.766   1.758   9.496
  311   1HB   GLN  44          HB2       GLN  44  -4.661   3.109   7.642
  312   2HB   GLN  44          HB1       GLN  44  -6.249   2.396   7.890
  313   1HG   GLN  44          HG2       GLN  44  -6.330   3.402  10.132
  314   2HG   GLN  44          HG1       GLN  44  -4.760   4.140   9.845
  315   1HE2  GLN  44          HE21      GLN  44  -6.432   4.155   6.957
  316   2HE2  GLN  44          HE22      GLN  44  -7.109   5.736   7.059
  317    H    ASN  45           HN       ASN  45  -4.886   2.072  11.466
  318    HA   ASN  45           HA       ASN  45  -6.470  -0.187  12.293
  319   1HB   ASN  45          HB2       ASN  45  -5.587   2.280  13.818
  320   2HB   ASN  45          HB1       ASN  45  -6.327   0.850  14.527
  321   1HD2  ASN  45          HD21      ASN  45  -3.480   2.354  14.074
  322   2HD2  ASN  45          HD22      ASN  45  -2.414   0.999  14.150
  323    H    CYS  46           HN       CYS  46  -8.637  -0.262  12.574
  324    HA   CYS  46           HA       CYS  46 -10.205   2.173  12.821
  325   1HB   CYS  46          HB2       CYS  46 -11.690   1.608  10.938
  326   2HB   CYS  46          HB1       CYS  46 -10.040   1.916  10.395
  Start of MODEL   12
    1   1H    LYS   1          HT1       LYS   1  -8.205  -6.187  11.674
    2   2H    LYS   1          HT2       LYS   1  -9.577  -7.025  12.180
    3   3H    LYS   1          HT3       LYS   1  -8.209  -6.958  13.171
    4    HA   LYS   1           HA       LYS   1 -10.371  -5.098  12.893
    5   1HB   LYS   1          HB2       LYS   1  -8.128  -5.400  14.909
    6   2HB   LYS   1          HB1       LYS   1  -9.562  -4.407  15.121
    7   1HG   LYS   1          HG2       LYS   1 -10.970  -6.392  15.067
    8   2HG   LYS   1          HG1       LYS   1  -9.546  -7.405  14.809
    9   1HD   LYS   1          HD2       LYS   1  -8.645  -6.707  16.967
   10   2HD   LYS   1          HD1       LYS   1 -10.047  -5.662  17.223
   11   1HE   LYS   1          HE2       LYS   1 -11.514  -7.609  17.164
   12   2HE   LYS   1          HE1       LYS   1 -10.123  -8.658  16.885
   13   1HZ   LYS   1          HZ1       LYS   1 -10.062  -6.921  19.243
   14   2HZ   LYS   1          HZ2       LYS   1  -9.443  -8.482  19.035
   15   3HZ   LYS   1          HZ3       LYS   1 -11.100  -8.256  19.285
   16    H    THR   2           HN       THR   2  -8.911  -4.468  10.723
   17    HA   THR   2           HA       THR   2  -7.981  -1.786  11.371
   18    HB   THR   2           HB       THR   2  -5.965  -2.003   9.932
   19    HG1  THR   2           HG1      THR   2  -6.056  -4.783  10.189
   20   1HG2  THR   2          HG21      THR   2  -5.037  -2.110  11.952
   21   2HG2  THR   2          HG22      THR   2  -4.841  -3.827  11.602
   22   3HG2  THR   2          HG23      THR   2  -6.218  -3.271  12.550
   23    H    CYS   3           HN       CYS   3  -7.481  -0.546   9.282
   24    HA   CYS   3           HA       CYS   3  -9.490  -1.309   7.260
   25   1HB   CYS   3          HB2       CYS   3  -8.571   1.454   8.083
   26   2HB   CYS   3          HB1       CYS   3  -9.671   1.121   6.750
   27    H    GLU   4           HN       GLU   4  -8.943  -1.421   5.178
   28    HA   GLU   4           HA       GLU   4  -6.149  -0.827   4.465
   29   1HB   GLU   4          HB2       GLU   4  -8.052  -2.855   3.273
   30   2HB   GLU   4          HB1       GLU   4  -6.436  -2.518   2.666
   31   1HG   GLU   4          HG2       GLU   4  -5.478  -3.253   4.776
   32   2HG   GLU   4          HG1       GLU   4  -7.086  -3.572   5.410
   33    H    HIS   5           HN       HIS   5  -5.694   0.474   2.769
   34    HA   HIS   5           HA       HIS   5  -7.895   1.313   1.020
   35   1HB   HIS   5          HB2       HIS   5  -6.095   3.217   2.535
   36   2HB   HIS   5          HB1       HIS   5  -7.191   3.696   1.245
   37    HD1  HIS   5           HD1      HIS   5  -9.809   2.681   1.861
   38    HD2  HIS   5           HD2      HIS   5  -7.204   3.729   4.921
   39    HE1  HIS   5           HE1      HIS   5 -11.266   3.086   3.873
   40    HE2  HIS   5           HE2      HIS   5  -9.676   3.868   5.665
   41    H    LEU   6           HN       LEU   6  -7.351   1.495  -1.046
   42    HA   LEU   6           HA       LEU   6  -4.652   0.914  -1.884
   43   1HB   LEU   6          HB2       LEU   6  -6.393  -0.164  -3.089
   44   2HB   LEU   6          HB1       LEU   6  -7.249   1.353  -3.351
   45    HG   LEU   6           HG       LEU   6  -5.353   2.088  -4.801
   46   1HD1  LEU   6          HD11      LEU   6  -4.184  -0.242  -5.588
   47   2HD1  LEU   6          HD12      LEU   6  -4.264  -0.439  -3.840
   48   3HD1  LEU   6          HD13      LEU   6  -3.449   0.964  -4.537
   49   1HD2  LEU   6          HD21      LEU   6  -6.154   1.019  -6.680
   50   2HD2  LEU   6          HD22      LEU   6  -7.500   0.888  -5.550
   51   3HD2  LEU   6          HD23      LEU   6  -6.444  -0.498  -5.829
   52    H    ALA   7           HN       ALA   7  -3.155   2.396  -2.348
   53    HA   ALA   7           HA       ALA   7  -3.850   5.208  -2.424
   54   1HB   ALA   7          HB1       ALA   7  -1.359   3.626  -2.201
   55   2HB   ALA   7          HB2       ALA   7  -1.902   5.024  -1.273
   56   3HB   ALA   7          HB3       ALA   7  -1.225   5.248  -2.887
   57    H    ASP   8           HN       ASP   8  -4.175   6.386  -4.201
   58    HA   ASP   8           HA       ASP   8  -3.922   5.174  -6.811
   59   1HB   ASP   8          HB2       ASP   8  -5.860   6.610  -6.020
   60   2HB   ASP   8          HB1       ASP   8  -4.786   7.994  -6.156
   61    H    THR   9           HN       THR   9  -1.778   6.881  -4.852
   62    HA   THR   9           HA       THR   9  -0.366   8.017  -7.174
   63    HB   THR   9           HB       THR   9   0.902   9.358  -5.509
   64    HG1  THR   9           HG1      THR   9  -0.384   9.340  -3.368
   65   1HG2  THR   9          HG21      THR   9  -1.012  10.775  -4.700
   66   2HG2  THR   9          HG22      THR   9  -2.088   9.599  -5.454
   67   3HG2  THR   9          HG23      THR   9  -0.938  10.500  -6.441
   68    H    TYR  10           HN       TYR  10  -0.028   5.540  -7.345
   69    HA   TYR  10           HA       TYR  10   2.396   4.723  -5.890
   70   1HB   TYR  10          HB2       TYR  10   0.401   3.261  -5.671
   71   2HB   TYR  10          HB1       TYR  10   0.359   3.066  -7.421
   72    HD1  TYR  10           HD1      TYR  10   0.774   0.837  -7.837
   73    HD2  TYR  10           HD2      TYR  10   3.251   2.867  -5.030
   74    HE1  TYR  10           HE1      TYR  10   2.243  -1.130  -7.714
   75    HE2  TYR  10           HE2      TYR  10   4.721   0.894  -4.901
   76    HH   TYR  10           HH       TYR  10   4.407  -1.677  -5.327
   77    H    ARG  11           HN       ARG  11   3.380   2.813  -7.730
   78    HA   ARG  11           HA       ARG  11   4.253   4.536  -9.911
   79   1HB   ARG  11          HB2       ARG  11   5.576   2.007  -8.953
   80   2HB   ARG  11          HB1       ARG  11   6.288   3.307  -9.898
   81   1HG   ARG  11          HG2       ARG  11   5.968   4.795  -7.893
   82   2HG   ARG  11          HG1       ARG  11   5.515   3.346  -6.991
   83   1HD   ARG  11          HD2       ARG  11   7.644   2.342  -7.397
   84   2HD   ARG  11          HD1       ARG  11   8.117   3.654  -8.481
   85    HE   ARG  11           HE       ARG  11   7.499   4.777  -6.009
   86   1HH1  ARG  11          HH11      ARG  11   9.871   2.668  -7.413
   87   2HH1  ARG  11          HH12      ARG  11  11.105   3.082  -6.279
   88   1HH2  ARG  11          HH21      ARG  11   9.117   5.326  -4.505
   89   2HH2  ARG  11          HH22      ARG  11  10.669   4.577  -4.617
   90    H    GLY  12           HN       GLY  12   1.768   2.894  -9.893
   91   1HA   GLY  12          HA2       GLY  12   0.605   1.771 -11.546
   92   2HA   GLY  12          HA1       GLY  12   2.091   1.696 -12.489
   93    H    VAL  13           HN       VAL  13   3.380  -0.110 -12.373
   94    HA   VAL  13           HA       VAL  13   2.107  -2.489 -11.287
   95    HB   VAL  13           HB       VAL  13   4.626  -2.223 -12.940
   96   1HG1  VAL  13          HG11      VAL  13   3.059  -4.626 -12.036
   97   2HG1  VAL  13          HG12      VAL  13   4.772  -4.284 -11.791
   98   3HG1  VAL  13          HG13      VAL  13   4.170  -4.672 -13.403
   99   1HG2  VAL  13          HG21      VAL  13   2.901  -3.373 -14.609
  100   2HG2  VAL  13          HG22      VAL  13   3.058  -1.621 -14.475
  101   3HG2  VAL  13          HG23      VAL  13   1.751  -2.457 -13.635
  102    H    CYS  14           HN       CYS  14   3.062  -3.960  -9.857
  103    HA   CYS  14           HA       CYS  14   5.233  -2.850  -8.193
  104   1HB   CYS  14          HB2       CYS  14   3.272  -3.108  -6.847
  105   2HB   CYS  14          HB1       CYS  14   2.984  -4.735  -7.468
  106    H    PHE  15           HN       PHE  15   6.882  -4.220  -7.431
  107    HA   PHE  15           HA       PHE  15   7.205  -6.745  -8.915
  108   1HB   PHE  15          HB2       PHE  15   9.377  -4.798  -8.098
  109   2HB   PHE  15          HB1       PHE  15   9.649  -6.360  -8.868
  110    HD1  PHE  15           HD1      PHE  15  10.147  -6.281 -11.090
  111    HD2  PHE  15           HD2      PHE  15   7.547  -3.319  -9.485
  112    HE1  PHE  15           HE1      PHE  15  10.001  -5.213 -13.302
  113    HE2  PHE  15           HE2      PHE  15   7.389  -2.251 -11.693
  114    HZ   PHE  15           HZ       PHE  15   8.618  -3.197 -13.605
  115    H    THR  16           HN       THR  16   7.958  -5.026  -5.890
  116    HA   THR  16           HA       THR  16   7.986  -7.616  -4.502
  117    HB   THR  16           HB       THR  16   9.933  -6.962  -3.169
  118    HG1  THR  16           HG1      THR  16  10.364  -4.778  -4.894
  119   1HG2  THR  16          HG21      THR  16  11.046  -6.417  -5.831
  120   2HG2  THR  16          HG22      THR  16  10.100  -7.899  -5.685
  121   3HG2  THR  16          HG23      THR  16  11.492  -7.630  -4.634
  122    H    ASN  17           HN       ASN  17   7.503  -7.492  -2.227
  123    HA   ASN  17           HA       ASN  17   5.389  -5.837  -1.555
  124   1HB   ASN  17          HB2       ASN  17   7.316  -7.316   0.241
  125   2HB   ASN  17          HB1       ASN  17   5.810  -6.589   0.792
  126   1HD2  ASN  17          HD21      ASN  17   7.140  -9.425   0.004
  127   2HD2  ASN  17          HD22      ASN  17   5.751 -10.270  -0.576
  128    H    ALA  18           HN       ALA  18   8.844  -5.300  -1.053
  129    HA   ALA  18           HA       ALA  18   8.802  -3.247   0.812
  130   1HB   ALA  18          HB1       ALA  18  10.671  -3.489  -1.549
  131   2HB   ALA  18          HB2       ALA  18  10.848  -4.344  -0.016
  132   3HB   ALA  18          HB3       ALA  18  10.966  -2.585  -0.062
  133    H    SER  19           HN       SER  19   8.113  -3.124  -2.638
  134    HA   SER  19           HA       SER  19   8.251  -0.403  -3.137
  135   1HB   SER  19          HB2       SER  19   6.647  -0.799  -4.955
  136   2HB   SER  19          HB1       SER  19   7.847  -2.093  -4.878
  137    HG   SER  19           HG       SER  19   6.353  -3.468  -4.067
  138    H    CYS  20           HN       CYS  20   5.257  -2.168  -2.281
  139    HA   CYS  20           HA       CYS  20   3.654   0.098  -1.916
  140   1HB   CYS  20          HB2       CYS  20   3.430  -2.678  -0.775
  141   2HB   CYS  20          HB1       CYS  20   2.187  -1.448  -0.576
  142    H    ASP  21           HN       ASP  21   5.637  -1.701   0.407
  143    HA   ASP  21           HA       ASP  21   4.752  -0.555   2.777
  144   1HB   ASP  21          HB2       ASP  21   6.387  -2.433   2.579
  145   2HB   ASP  21          HB1       ASP  21   7.615  -1.271   2.094
  146    H    ASP  22           HN       ASP  22   7.757   0.474   1.120
  147    HA   ASP  22           HA       ASP  22   8.202   2.898   2.362
  148   1HB   ASP  22          HB2       ASP  22   9.792   1.983   0.774
  149   2HB   ASP  22          HB1       ASP  22   8.624   2.099  -0.533
  150    H    HIS  23           HN       HIS  23   6.491   2.337  -0.631
  151    HA   HIS  23           HA       HIS  23   5.476   4.781  -1.255
  152   1HB   HIS  23          HB2       HIS  23   5.213   2.896  -2.686
  153   2HB   HIS  23          HB1       HIS  23   4.328   2.004  -1.476
  154    HD1  HIS  23           HD1      HIS  23   3.554   5.497  -2.567
  155    HD2  HIS  23           HD2      HIS  23   2.092   1.691  -2.952
  156    HE1  HIS  23           HE1      HIS  23   1.240   5.777  -3.533
  157    HE2  HIS  23           HE2      HIS  23   0.284   3.444  -3.538
  158    H    CYS  24           HN       CYS  24   3.705   2.350   0.676
  159    HA   CYS  24           HA       CYS  24   1.600   4.001   1.455
  160   1HB   CYS  24          HB2       CYS  24   2.844   1.602   2.770
  161   2HB   CYS  24          HB1       CYS  24   1.486   2.450   3.502
  162    H    LYS  25           HN       LYS  25   4.595   3.330   3.315
  163    HA   LYS  25           HA       LYS  25   4.031   5.009   5.472
  164   1HB   LYS  25          HB2       LYS  25   6.698   4.269   4.268
  165   2HB   LYS  25          HB1       LYS  25   6.517   5.109   5.801
  166   1HG   LYS  25          HG2       LYS  25   5.199   3.162   6.634
  167   2HG   LYS  25          HG1       LYS  25   5.590   2.323   5.130
  168   1HD   LYS  25          HD2       LYS  25   7.952   2.441   5.623
  169   2HD   LYS  25          HD1       LYS  25   7.641   3.413   7.063
  170   1HE   LYS  25          HE2       LYS  25   6.786   0.555   6.609
  171   2HE   LYS  25          HE1       LYS  25   8.085   1.100   7.667
  172   1HZ   LYS  25          HZ1       LYS  25   6.006   2.527   8.585
  173   2HZ   LYS  25          HZ2       LYS  25   6.476   1.026   9.218
  174   3HZ   LYS  25          HZ3       LYS  25   5.206   1.105   8.087
  175    H    ASN  26           HN       ASN  26   5.668   5.791   2.424
  176    HA   ASN  26           HA       ASN  26   6.087   8.529   3.211
  177   1HB   ASN  26          HB2       ASN  26   6.645   6.990   0.689
  178   2HB   ASN  26          HB1       ASN  26   6.954   8.706   0.814
  179   1HD2  ASN  26          HD21      ASN  26   8.462   6.027   0.761
  180   2HD2  ASN  26          HD22      ASN  26   9.731   6.328   1.889
  181    H    LYS  27           HN       LYS  27   3.745   6.874   1.107
  182    HA   LYS  27           HA       LYS  27   2.693   9.415   0.161
  183   1HB   LYS  27          HB2       LYS  27   1.792   6.570  -0.289
  184   2HB   LYS  27          HB1       LYS  27   0.995   7.968  -0.998
  185   1HG   LYS  27          HG2       LYS  27   3.872   7.204  -1.437
  186   2HG   LYS  27          HG1       LYS  27   2.537   6.857  -2.542
  187   1HD   LYS  27          HD2       LYS  27   2.149   9.217  -2.880
  188   2HD   LYS  27          HD1       LYS  27   3.359   9.627  -1.664
  189   1HE   LYS  27          HE2       LYS  27   4.213   9.897  -3.947
  190   2HE   LYS  27          HE1       LYS  27   5.110   8.680  -3.037
  191   1HZ   LYS  27          HZ1       LYS  27   4.437   7.043  -4.412
  192   2HZ   LYS  27          HZ2       LYS  27   4.160   8.296  -5.507
  193   3HZ   LYS  27          HZ3       LYS  27   2.864   7.659  -4.609
  194    H    ALA  28           HN       ALA  28   1.394   6.730   2.121
  195    HA   ALA  28           HA       ALA  28  -0.486   8.653   3.319
  196   1HB   ALA  28          HB1       ALA  28  -1.013   5.835   2.402
  197   2HB   ALA  28          HB2       ALA  28  -1.855   7.316   1.946
  198   3HB   ALA  28          HB3       ALA  28  -2.048   6.658   3.571
  199    H    HIS  29           HN       HIS  29   1.064   8.939   4.914
  200    HA   HIS  29           HA       HIS  29   2.583   7.563   6.501
  201   1HB   HIS  29          HB2       HIS  29   2.037   9.941   6.817
  202   2HB   HIS  29          HB1       HIS  29   0.510   9.484   7.571
  203    HD1  HIS  29           HD1      HIS  29   4.184   8.651   8.185
  204    HD2  HIS  29           HD2      HIS  29   0.704   9.610  10.240
  205    HE1  HIS  29           HE1      HIS  29   4.838   8.727  10.616
  206    HE2  HIS  29           HE2      HIS  29   2.743   9.439  11.822
  207    H    LEU  30           HN       LEU  30   1.685   5.425   6.274
  208    HA   LEU  30           HA       LEU  30  -0.012   4.689   8.572
  209   1HB   LEU  30          HB2       LEU  30  -0.072   3.767   5.753
  210   2HB   LEU  30          HB1       LEU  30  -0.365   2.560   6.991
  211    HG   LEU  30           HG       LEU  30  -2.260   3.863   7.833
  212   1HD1  LEU  30          HD11      LEU  30  -3.038   5.838   6.845
  213   2HD1  LEU  30          HD12      LEU  30  -1.942   5.687   5.474
  214   3HD1  LEU  30          HD13      LEU  30  -1.310   6.082   7.069
  215   1HD2  LEU  30          HD21      LEU  30  -2.083   2.482   5.389
  216   2HD2  LEU  30          HD22      LEU  30  -3.163   3.851   5.129
  217   3HD2  LEU  30          HD23      LEU  30  -3.494   2.696   6.417
  218    H    ILE  31           HN       ILE  31   0.283   2.101   8.833
  219    HA   ILE  31           HA       ILE  31   2.955   1.818   9.763
  220    HB   ILE  31           HB       ILE  31   2.255  -0.378  10.581
  221   1HG1  ILE  31          HG12      ILE  31  -0.373   0.305   9.263
  222   2HG1  ILE  31          HG11      ILE  31   0.733  -0.985   8.800
  223   1HG2  ILE  31          HG21      ILE  31   0.852   0.414  12.299
  224   2HG2  ILE  31          HG22      ILE  31   0.158   1.659  11.261
  225   3HG2  ILE  31          HG23      ILE  31   1.831   1.794  11.801
  226   1HD1  ILE  31          HD11      ILE  31  -0.889  -0.787  11.317
  227   2HD1  ILE  31          HD12      ILE  31   0.361  -2.000  11.043
  228   3HD1  ILE  31          HD13      ILE  31  -1.066  -1.955  10.008
  229    H    SER  32           HN       SER  32   1.070  -0.001   7.296
  230    HA   SER  32           HA       SER  32   3.557  -0.488   5.865
  231   1HB   SER  32          HB2       SER  32   1.868  -2.784   6.889
  232   2HB   SER  32          HB1       SER  32   3.244  -2.935   5.795
  233    HG   SER  32           HG       SER  32   3.735  -3.298   8.057
  234    H    GLY  33           HN       GLY  33   3.022  -2.104   3.934
  235   1HA   GLY  33          HA2       GLY  33   0.375  -1.676   2.777
  236   2HA   GLY  33          HA1       GLY  33   1.718  -0.903   1.942
  237    H    THR  34           HN       THR  34  -0.063  -3.000   0.943
  238    HA   THR  34           HA       THR  34   1.985  -5.063   0.391
  239    HB   THR  34           HB       THR  34   0.166  -6.752   0.300
  240    HG1  THR  34           HG1      THR  34  -1.405  -4.644   0.381
  241   1HG2  THR  34          HG21      THR  34  -0.505  -6.392   2.868
  242   2HG2  THR  34          HG22      THR  34   0.936  -5.379   2.779
  243   3HG2  THR  34          HG23      THR  34   1.028  -7.086   2.340
  244    H    CYS  35           HN       CYS  35   1.881  -6.130  -1.628
  245    HA   CYS  35           HA       CYS  35   0.694  -4.498  -3.747
  246   1HB   CYS  35          HB2       CYS  35   2.809  -6.645  -3.787
  247   2HB   CYS  35          HB1       CYS  35   2.116  -5.966  -5.258
  248    H    HIS  36           HN       HIS  36  -1.467  -5.157  -3.578
  249    HA   HIS  36           HA       HIS  36  -2.133  -7.959  -3.964
  250   1HB   HIS  36          HB2       HIS  36  -3.838  -5.487  -3.648
  251   2HB   HIS  36          HB1       HIS  36  -4.497  -7.101  -3.884
  252    HD1  HIS  36           HD1      HIS  36  -3.728  -8.877  -1.961
  253    HD2  HIS  36           HD2      HIS  36  -3.337  -4.849  -1.070
  254    HE1  HIS  36           HE1      HIS  36  -3.513  -8.752   0.531
  255    HE2  HIS  36           HE2      HIS  36  -2.966  -6.342   0.998
  256    H    ASN  37           HN       ASN  37  -2.271  -8.855  -5.902
  257    HA   ASN  37           HA       ASN  37  -2.611  -9.201  -8.119
  258   1HB   ASN  37          HB2       ASN  37  -4.816  -8.158  -7.679
  259   2HB   ASN  37          HB1       ASN  37  -4.123  -6.571  -7.991
  260   1HD2  ASN  37          HD21      ASN  37  -5.841  -9.063  -9.302
  261   2HD2  ASN  37          HD22      ASN  37  -5.596  -8.716 -10.975
  262    H    TRP  38           HN       TRP  38  -2.461  -5.682  -8.212
  263    HA   TRP  38           HA       TRP  38   0.319  -5.595  -8.934
  264   1HB   TRP  38          HB2       TRP  38  -1.744  -4.925 -11.046
  265   2HB   TRP  38          HB1       TRP  38  -0.055  -4.463 -11.147
  266    HD1  TRP  38           HD1      TRP  38  -2.372  -7.159 -12.042
  267    HE1  TRP  38           HE1      TRP  38  -1.096  -9.196 -12.965
  268    HE3  TRP  38           HE3      TRP  38   2.353  -5.832 -10.654
  269    HZ2  TRP  38           HZ2      TRP  38   1.570 -10.112 -13.086
  270    HZ3  TRP  38           HZ3      TRP  38   4.216  -7.338 -11.210
  271    HH2  TRP  38           HH2      TRP  38   3.832  -9.436 -12.401
  272    H    LYS  39           HN       LYS  39  -1.595  -4.426  -6.974
  273    HA   LYS  39           HA       LYS  39  -0.952  -1.591  -7.471
  274   1HB   LYS  39          HB2       LYS  39  -3.515  -2.626  -6.239
  275   2HB   LYS  39          HB1       LYS  39  -3.080  -0.942  -6.475
  276   1HG   LYS  39          HG2       LYS  39  -3.167  -1.203  -8.868
  277   2HG   LYS  39          HG1       LYS  39  -3.483  -2.932  -8.691
  278   1HD   LYS  39          HD2       LYS  39  -5.579  -2.440  -7.534
  279   2HD   LYS  39          HD1       LYS  39  -5.265  -0.711  -7.682
  280   1HE   LYS  39          HE2       LYS  39  -5.620  -2.627  -9.987
  281   2HE   LYS  39          HE1       LYS  39  -6.862  -1.538  -9.366
  282   1HZ   LYS  39          HZ1       LYS  39  -6.073  -0.104 -10.862
  283   2HZ   LYS  39          HZ2       LYS  39  -4.645  -0.974 -11.109
  284   3HZ   LYS  39          HZ3       LYS  39  -4.756   0.117  -9.822
  285    H    CYS  40           HN       CYS  40  -1.696  -0.434  -5.119
  286    HA   CYS  40           HA       CYS  40  -0.300  -1.985  -3.052
  287   1HB   CYS  40          HB2       CYS  40   0.103   0.867  -3.878
  288   2HB   CYS  40          HB1       CYS  40   0.466   0.337  -2.240
  289    H    PHE  41           HN       PHE  41  -1.498  -2.358  -1.364
  290    HA   PHE  41           HA       PHE  41  -3.620  -0.434  -0.662
  291   1HB   PHE  41          HB2       PHE  41  -3.403  -3.370   0.076
  292   2HB   PHE  41          HB1       PHE  41  -4.689  -2.279   0.588
  293    HD1  PHE  41           HD1      PHE  41  -3.088  -2.938  -2.732
  294    HD2  PHE  41           HD2      PHE  41  -6.647  -2.868  -0.404
  295    HE1  PHE  41           HE1      PHE  41  -4.390  -3.552  -4.719
  296    HE2  PHE  41           HE2      PHE  41  -7.959  -3.482  -2.386
  297    HZ   PHE  41           HZ       PHE  41  -6.835  -3.812  -4.555
  298    H    CYS  42           HN       CYS  42  -3.505   0.570   1.266
  299    HA   CYS  42           HA       CYS  42  -1.229  -0.125   2.988
  300   1HB   CYS  42          HB2       CYS  42  -2.793   2.463   2.780
  301   2HB   CYS  42          HB1       CYS  42  -1.354   2.192   3.752
  302    H    THR  43           HN       THR  43  -1.540  -0.421   5.199
  303    HA   THR  43           HA       THR  43  -4.335  -0.785   6.036
  304    HB   THR  43           HB       THR  43  -3.377  -2.297   7.747
  305    HG1  THR  43           HG1      THR  43  -1.285  -1.308   7.806
  306   1HG2  THR  43          HG21      THR  43  -2.433  -3.017   4.992
  307   2HG2  THR  43          HG22      THR  43  -4.065  -3.260   5.608
  308   3HG2  THR  43          HG23      THR  43  -2.714  -4.125   6.332
  309    H    GLN  44           HN       GLN  44  -5.174   0.488   7.552
  310    HA   GLN  44           HA       GLN  44  -3.338   1.957   9.341
  311   1HB   GLN  44          HB2       GLN  44  -4.376   3.460   7.660
  312   2HB   GLN  44          HB1       GLN  44  -5.966   2.968   8.222
  313   1HG   GLN  44          HG2       GLN  44  -5.511   3.928  10.410
  314   2HG   GLN  44          HG1       GLN  44  -3.889   4.376   9.889
  315   1HE2  GLN  44          HE21      GLN  44  -6.794   5.621  10.510
  316   2HE2  GLN  44          HE22      GLN  44  -6.805   6.956   9.415
  317    H    ASN  45           HN       ASN  45  -4.033   2.297  11.469
  318    HA   ASN  45           HA       ASN  45  -5.623   0.212  12.580
  319   1HB   ASN  45          HB2       ASN  45  -4.519   2.727  13.869
  320   2HB   ASN  45          HB1       ASN  45  -5.159   1.330  14.729
  321   1HD2  ASN  45          HD21      ASN  45  -2.396   2.792  13.859
  322   2HD2  ASN  45          HD22      ASN  45  -1.332   1.434  13.825
  323    H    CYS  46           HN       CYS  46  -7.761   0.192  13.032
  324    HA   CYS  46           HA       CYS  46  -9.232   2.647  13.471
  325   1HB   CYS  46          HB2       CYS  46 -10.871   2.224  11.677
  326   2HB   CYS  46          HB1       CYS  46  -9.256   2.526  11.036
  Start of MODEL   13
    1   1H    LYS   1          HT1       LYS   1  -9.380  -5.792  15.139
    2   2H    LYS   1          HT2       LYS   1 -11.029  -5.661  14.792
    3   3H    LYS   1          HT3       LYS   1 -10.070  -4.270  14.856
    4    HA   LYS   1           HA       LYS   1  -9.115  -6.243  12.982
    5   1HB   LYS   1          HB2       LYS   1 -11.798  -4.891  12.587
    6   2HB   LYS   1          HB1       LYS   1 -10.890  -5.671  11.301
    7   1HG   LYS   1          HG2       LYS   1 -11.070  -7.814  12.462
    8   2HG   LYS   1          HG1       LYS   1 -11.974  -7.035  13.764
    9   1HD   LYS   1          HD2       LYS   1 -13.735  -6.420  12.187
   10   2HD   LYS   1          HD1       LYS   1 -12.825  -7.159  10.869
   11   1HE   LYS   1          HE2       LYS   1 -13.009  -9.342  11.956
   12   2HE   LYS   1          HE1       LYS   1 -13.892  -8.607  13.296
   13   1HZ   LYS   1          HZ1       LYS   1 -15.179  -9.746  11.348
   14   2HZ   LYS   1          HZ2       LYS   1 -14.921  -8.273  10.555
   15   3HZ   LYS   1          HZ3       LYS   1 -15.766  -8.306  12.019
   16    H    THR   2           HN       THR   2  -8.467  -5.116  10.953
   17    HA   THR   2           HA       THR   2  -7.940  -2.252  11.447
   18    HB   THR   2           HB       THR   2  -5.837  -2.487  10.227
   19    HG1  THR   2           HG1      THR   2  -5.718  -4.094   8.893
   20   1HG2  THR   2          HG21      THR   2  -5.736  -2.939  12.627
   21   2HG2  THR   2          HG22      THR   2  -4.558  -3.888  11.720
   22   3HG2  THR   2          HG23      THR   2  -6.036  -4.648  12.310
   23    H    CYS   3           HN       CYS   3  -7.640  -0.945   9.444
   24    HA   CYS   3           HA       CYS   3  -9.387  -1.982   7.297
   25   1HB   CYS   3          HB2       CYS   3  -9.026   0.843   8.300
   26   2HB   CYS   3          HB1       CYS   3  -9.891   0.441   6.821
   27    H    GLU   4           HN       GLU   4  -8.586  -2.138   5.304
   28    HA   GLU   4           HA       GLU   4  -6.003  -0.835   4.756
   29   1HB   GLU   4          HB2       GLU   4  -5.524  -2.605   3.167
   30   2HB   GLU   4          HB1       GLU   4  -5.900  -3.304   4.734
   31   1HG   GLU   4          HG2       GLU   4  -8.110  -3.911   3.981
   32   2HG   GLU   4          HG1       GLU   4  -7.840  -3.105   2.438
   33    H    HIS   5           HN       HIS   5  -5.697   0.258   2.857
   34    HA   HIS   5           HA       HIS   5  -7.920   0.458   0.975
   35   1HB   HIS   5          HB2       HIS   5  -6.704   2.839   2.396
   36   2HB   HIS   5          HB1       HIS   5  -7.735   2.964   0.975
   37    HD1  HIS   5           HD1      HIS   5 -10.138   1.480   1.454
   38    HD2  HIS   5           HD2      HIS   5  -8.147   3.274   4.628
   39    HE1  HIS   5           HE1      HIS   5 -11.850   1.691   3.286
   40    HE2  HIS   5           HE2      HIS   5 -10.638   2.835   5.178
   41    H    LEU   6           HN       LEU   6  -7.334   1.001  -1.099
   42    HA   LEU   6           HA       LEU   6  -4.506   0.695  -1.703
   43   1HB   LEU   6          HB2       LEU   6  -6.061  -0.695  -2.911
   44   2HB   LEU   6          HB1       LEU   6  -6.981   0.705  -3.434
   45    HG   LEU   6           HG       LEU   6  -4.151   0.097  -4.301
   46   1HD1  LEU   6          HD11      LEU   6  -6.007  -0.108  -6.414
   47   2HD1  LEU   6          HD12      LEU   6  -6.642  -1.068  -5.078
   48   3HD1  LEU   6          HD13      LEU   6  -5.027  -1.390  -5.704
   49   1HD2  LEU   6          HD21      LEU   6  -5.460   1.694  -6.160
   50   2HD2  LEU   6          HD22      LEU   6  -4.200   2.203  -5.037
   51   3HD2  LEU   6          HD23      LEU   6  -5.899   2.385  -4.599
   52    H    ALA   7           HN       ALA   7  -3.206   2.260  -2.430
   53    HA   ALA   7           HA       ALA   7  -4.201   4.980  -2.394
   54   1HB   ALA   7          HB1       ALA   7  -1.475   3.748  -2.472
   55   2HB   ALA   7          HB2       ALA   7  -2.195   4.802  -1.257
   56   3HB   ALA   7          HB3       ALA   7  -1.695   5.465  -2.814
   57    H    ASP   8           HN       ASP   8  -4.966   5.965  -4.118
   58    HA   ASP   8           HA       ASP   8  -4.665   4.989  -6.772
   59   1HB   ASP   8          HB2       ASP   8  -5.751   7.627  -5.775
   60   2HB   ASP   8          HB1       ASP   8  -5.919   7.018  -7.417
   61    H    THR   9           HN       THR   9  -2.553   6.828  -4.895
   62    HA   THR   9           HA       THR   9  -1.348   8.075  -7.270
   63    HB   THR   9           HB       THR   9  -0.069   9.470  -5.639
   64    HG1  THR   9           HG1      THR   9  -1.738   9.064  -3.543
   65   1HG2  THR   9          HG21      THR   9  -2.519   9.962  -6.566
   66   2HG2  THR   9          HG22      THR   9  -1.647  11.058  -5.493
   67   3HG2  THR   9          HG23      THR   9  -2.858   9.958  -4.836
   68    H    TYR  10           HN       TYR  10  -0.835   5.584  -7.426
   69    HA   TYR  10           HA       TYR  10   1.712   5.047  -6.068
   70   1HB   TYR  10          HB2       TYR  10   0.010   3.337  -5.701
   71   2HB   TYR  10          HB1       TYR  10  -0.217   3.154  -7.431
   72    HD1  TYR  10           HD1      TYR  10   2.888   3.277  -5.341
   73    HD2  TYR  10           HD2      TYR  10   0.462   1.038  -8.023
   74    HE1  TYR  10           HE1      TYR  10   4.585   1.494  -5.382
   75    HE2  TYR  10           HE2      TYR  10   2.154  -0.746  -8.069
   76    HH   TYR  10           HH       TYR  10   4.969  -0.620  -7.543
   77    H    ARG  11           HN       ARG  11   3.451   4.198  -7.277
   78    HA   ARG  11           HA       ARG  11   3.508   5.140 -10.042
   79   1HB   ARG  11          HB2       ARG  11   6.026   5.149  -9.614
   80   2HB   ARG  11          HB1       ARG  11   5.046   6.377  -8.822
   81   1HG   ARG  11          HG2       ARG  11   5.053   5.090  -6.769
   82   2HG   ARG  11          HG1       ARG  11   5.994   3.816  -7.547
   83   1HD   ARG  11          HD2       ARG  11   7.418   5.272  -6.205
   84   2HD   ARG  11          HD1       ARG  11   7.824   5.382  -7.919
   85    HE   ARG  11           HE       ARG  11   5.987   7.409  -7.306
   86   1HH1  ARG  11          HH11      ARG  11   9.264   6.534  -6.579
   87   2HH1  ARG  11          HH12      ARG  11   9.799   8.168  -6.419
   88   1HH2  ARG  11          HH21      ARG  11   6.673   9.549  -7.088
   89   2HH2  ARG  11          HH22      ARG  11   8.322   9.884  -6.701
   90    H    GLY  12           HN       GLY  12   3.677   3.739 -11.634
   91   1HA   GLY  12          HA2       GLY  12   4.105   1.821 -12.822
   92   2HA   GLY  12          HA1       GLY  12   5.460   1.586 -11.727
   93    H    VAL  13           HN       VAL  13   4.660  -0.683 -12.394
   94    HA   VAL  13           HA       VAL  13   2.442  -1.642 -10.755
   95    HB   VAL  13           HB       VAL  13   4.255  -3.241 -12.580
   96   1HG1  VAL  13          HG11      VAL  13   3.203  -4.985 -11.673
   97   2HG1  VAL  13          HG12      VAL  13   1.741  -4.415 -12.472
   98   3HG1  VAL  13          HG13      VAL  13   2.076  -3.941 -10.808
   99   1HG2  VAL  13          HG21      VAL  13   1.938  -3.085 -13.945
  100   2HG2  VAL  13          HG22      VAL  13   3.297  -1.988 -14.197
  101   3HG2  VAL  13          HG23      VAL  13   1.947  -1.500 -13.173
  102    H    CYS  14           HN       CYS  14   2.716  -3.153  -9.044
  103    HA   CYS  14           HA       CYS  14   5.245  -2.929  -7.683
  104   1HB   CYS  14          HB2       CYS  14   3.325  -2.875  -6.272
  105   2HB   CYS  14          HB1       CYS  14   2.711  -4.388  -6.949
  106    H    PHE  15           HN       PHE  15   6.746  -4.445  -7.252
  107    HA   PHE  15           HA       PHE  15   6.486  -7.033  -8.633
  108   1HB   PHE  15          HB2       PHE  15   9.009  -5.438  -8.109
  109   2HB   PHE  15          HB1       PHE  15   8.960  -7.049  -8.820
  110    HD1  PHE  15           HD1      PHE  15   9.260  -7.126 -11.077
  111    HD2  PHE  15           HD2      PHE  15   7.308  -3.739  -9.403
  112    HE1  PHE  15           HE1      PHE  15   9.083  -6.122 -13.318
  113    HE2  PHE  15           HE2      PHE  15   7.121  -2.735 -11.636
  114    HZ   PHE  15           HZ       PHE  15   8.010  -3.924 -13.599
  115    H    THR  16           HN       THR  16   8.136  -5.420  -5.915
  116    HA   THR  16           HA       THR  16   7.887  -7.914  -4.361
  117    HB   THR  16           HB       THR  16   9.926  -7.168  -3.122
  118    HG1  THR  16           HG1      THR  16   9.786  -4.930  -3.686
  119   1HG2  THR  16          HG21      THR  16  10.957  -7.155  -5.851
  120   2HG2  THR  16          HG22      THR  16   9.843  -8.476  -5.501
  121   3HG2  THR  16          HG23      THR  16  11.286  -8.254  -4.511
  122    H    ASN  17           HN       ASN  17   7.285  -7.756  -2.184
  123    HA   ASN  17           HA       ASN  17   5.334  -6.053  -1.409
  124   1HB   ASN  17          HB2       ASN  17   7.432  -7.371   0.321
  125   2HB   ASN  17          HB1       ASN  17   5.996  -6.587   0.963
  126   1HD2  ASN  17          HD21      ASN  17   4.993  -7.890  -1.883
  127   2HD2  ASN  17          HD22      ASN  17   4.452  -9.419  -1.310
  128    H    ALA  18           HN       ALA  18   8.810  -5.442  -0.973
  129    HA   ALA  18           HA       ALA  18   8.690  -3.176   0.630
  130   1HB   ALA  18          HB1       ALA  18  10.722  -4.525  -0.156
  131   2HB   ALA  18          HB2       ALA  18  10.916  -2.786   0.063
  132   3HB   ALA  18          HB3       ALA  18  10.721  -3.455  -1.558
  133    H    SER  19           HN       SER  19   7.834  -3.484  -2.730
  134    HA   SER  19           HA       SER  19   8.226  -0.831  -3.578
  135   1HB   SER  19          HB2       SER  19   7.789  -2.747  -5.097
  136   2HB   SER  19          HB1       SER  19   6.115  -2.774  -4.540
  137    HG   SER  19           HG       SER  19   5.687  -1.052  -5.718
  138    H    CYS  20           HN       CYS  20   5.331  -2.395  -2.179
  139    HA   CYS  20           HA       CYS  20   3.834   0.060  -2.239
  140   1HB   CYS  20          HB2       CYS  20   3.285  -2.629  -1.008
  141   2HB   CYS  20          HB1       CYS  20   2.181  -1.269  -0.852
  142    H    ASP  21           HN       ASP  21   5.560  -1.800   0.235
  143    HA   ASP  21           HA       ASP  21   4.784  -0.537   2.542
  144   1HB   ASP  21          HB2       ASP  21   6.354  -2.421   2.510
  145   2HB   ASP  21          HB1       ASP  21   7.593  -1.397   1.806
  146    H    ASP  22           HN       ASP  22   7.785   0.426   0.838
  147    HA   ASP  22           HA       ASP  22   8.264   2.855   2.040
  148   1HB   ASP  22          HB2       ASP  22   9.833   1.946   0.444
  149   2HB   ASP  22          HB1       ASP  22   8.652   2.031  -0.851
  150    H    HIS  23           HN       HIS  23   6.530   2.368  -0.970
  151    HA   HIS  23           HA       HIS  23   5.550   4.831  -1.551
  152   1HB   HIS  23          HB2       HIS  23   5.207   2.974  -3.014
  153   2HB   HIS  23          HB1       HIS  23   4.317   2.090  -1.801
  154    HD1  HIS  23           HD1      HIS  23   3.678   5.598  -3.092
  155    HD2  HIS  23           HD2      HIS  23   1.908   1.883  -2.929
  156    HE1  HIS  23           HE1      HIS  23   1.320   5.932  -3.909
  157    HE2  HIS  23           HE2      HIS  23   0.297   3.643  -3.883
  158    H    CYS  24           HN       CYS  24   3.719   2.426   0.350
  159    HA   CYS  24           HA       CYS  24   1.674   4.138   1.163
  160   1HB   CYS  24          HB2       CYS  24   2.817   1.624   2.304
  161   2HB   CYS  24          HB1       CYS  24   1.639   2.533   3.247
  162    H    LYS  25           HN       LYS  25   4.590   3.272   3.065
  163    HA   LYS  25           HA       LYS  25   4.168   4.948   5.223
  164   1HB   LYS  25          HB2       LYS  25   6.734   4.053   3.932
  165   2HB   LYS  25          HB1       LYS  25   6.703   4.985   5.423
  166   1HG   LYS  25          HG2       LYS  25   5.422   3.215   6.510
  167   2HG   LYS  25          HG1       LYS  25   5.427   2.293   5.004
  168   1HD   LYS  25          HD2       LYS  25   7.831   2.087   5.079
  169   2HD   LYS  25          HD1       LYS  25   7.914   3.145   6.486
  170   1HE   LYS  25          HE2       LYS  25   8.144   0.721   7.010
  171   2HE   LYS  25          HE1       LYS  25   6.824   1.526   7.859
  172   1HZ   LYS  25          HZ1       LYS  25   5.394   0.089   6.996
  173   2HZ   LYS  25          HZ2       LYS  25   6.684  -0.748   6.243
  174   3HZ   LYS  25          HZ3       LYS  25   5.877   0.486   5.416
  175    H    ASN  26           HN       ASN  26   5.915   5.740   2.226
  176    HA   ASN  26           HA       ASN  26   6.357   8.456   3.066
  177   1HB   ASN  26          HB2       ASN  26   6.942   6.955   0.528
  178   2HB   ASN  26          HB1       ASN  26   7.296   8.660   0.706
  179   1HD2  ASN  26          HD21      ASN  26   8.776   6.003   0.556
  180   2HD2  ASN  26          HD22      ASN  26  10.005   6.208   1.748
  181    H    LYS  27           HN       LYS  27   3.964   6.878   0.996
  182    HA   LYS  27           HA       LYS  27   3.039   9.443  -0.016
  183   1HB   LYS  27          HB2       LYS  27   2.103   6.614  -0.450
  184   2HB   LYS  27          HB1       LYS  27   1.219   8.000  -1.079
  185   1HG   LYS  27          HG2       LYS  27   4.090   7.329  -1.695
  186   2HG   LYS  27          HG1       LYS  27   2.697   7.023  -2.752
  187   1HD   LYS  27          HD2       LYS  27   2.263   9.373  -2.969
  188   2HD   LYS  27          HD1       LYS  27   3.448   9.770  -1.723
  189   1HE   LYS  27          HE2       LYS  27   4.070   8.522  -4.405
  190   2HE   LYS  27          HE1       LYS  27   4.271  10.229  -3.999
  191   1HZ   LYS  27          HZ1       LYS  27   5.914   7.947  -3.245
  192   2HZ   LYS  27          HZ2       LYS  27   5.648   9.082  -2.020
  193   3HZ   LYS  27          HZ3       LYS  27   6.351   9.567  -3.479
  194    H    ALA  28           HN       ALA  28   1.706   6.912   2.102
  195    HA   ALA  28           HA       ALA  28  -0.055   8.971   3.236
  196   1HB   ALA  28          HB1       ALA  28  -0.829   6.138   2.553
  197   2HB   ALA  28          HB2       ALA  28  -1.464   7.619   1.837
  198   3HB   ALA  28          HB3       ALA  28  -1.811   7.236   3.523
  199    H    HIS  29           HN       HIS  29   1.537   9.207   4.784
  200    HA   HIS  29           HA       HIS  29   3.026   7.806   6.359
  201   1HB   HIS  29          HB2       HIS  29   2.584  10.217   6.617
  202   2HB   HIS  29          HB1       HIS  29   1.076   9.841   7.450
  203    HD1  HIS  29           HD1      HIS  29   4.749   8.922   7.917
  204    HD2  HIS  29           HD2      HIS  29   1.388   9.979  10.116
  205    HE1  HIS  29           HE1      HIS  29   5.513   9.006  10.313
  206    HE2  HIS  29           HE2      HIS  29   3.484   9.739  11.613
  207    H    LEU  30           HN       LEU  30   1.971   5.694   6.199
  208    HA   LEU  30           HA       LEU  30   0.433   5.109   8.643
  209   1HB   LEU  30          HB2       LEU  30   0.011   4.126   5.864
  210   2HB   LEU  30          HB1       LEU  30  -0.291   3.003   7.177
  211    HG   LEU  30           HG       LEU  30  -2.363   4.028   6.512
  212   1HD1  LEU  30          HD11      LEU  30  -1.888   3.610   8.941
  213   2HD1  LEU  30          HD12      LEU  30  -3.160   4.781   8.597
  214   3HD1  LEU  30          HD13      LEU  30  -1.562   5.338   9.092
  215   1HD2  LEU  30          HD21      LEU  30  -1.609   6.041   5.476
  216   2HD2  LEU  30          HD22      LEU  30  -0.978   6.653   7.005
  217   3HD2  LEU  30          HD23      LEU  30  -2.717   6.467   6.779
  218    H    ILE  31           HN       ILE  31   0.592   2.484   8.918
  219    HA   ILE  31           HA       ILE  31   3.320   2.098   9.600
  220    HB   ILE  31           HB       ILE  31   2.595  -0.063  10.523
  221   1HG1  ILE  31          HG12      ILE  31  -0.135   0.792   9.555
  222   2HG1  ILE  31          HG11      ILE  31   0.815  -0.555   8.931
  223   1HG2  ILE  31          HG21      ILE  31   1.357   0.871  12.341
  224   2HG2  ILE  31          HG22      ILE  31   0.805   2.211  11.338
  225   3HG2  ILE  31          HG23      ILE  31   2.508   2.083  11.779
  226   1HD1  ILE  31          HD11      ILE  31  -0.541  -1.685  10.351
  227   2HD1  ILE  31          HD12      ILE  31  -0.724  -0.313  11.442
  228   3HD1  ILE  31          HD13      ILE  31   0.752  -1.278  11.478
  229    H    SER  32           HN       SER  32   1.204   0.287   7.315
  230    HA   SER  32           HA       SER  32   3.624  -0.396   5.826
  231   1HB   SER  32          HB2       SER  32   3.336  -2.233   7.454
  232   2HB   SER  32          HB1       SER  32   1.720  -2.532   6.811
  233    HG   SER  32           HG       SER  32   4.110  -3.369   5.859
  234    H    GLY  33           HN       GLY  33   2.976  -1.908   3.908
  235   1HA   GLY  33          HA2       GLY  33   0.359  -1.484   2.777
  236   2HA   GLY  33          HA1       GLY  33   1.600  -0.493   2.016
  237    H    THR  34           HN       THR  34   0.021  -3.431   1.903
  238    HA   THR  34           HA       THR  34   2.261  -4.846   0.647
  239    HB   THR  34           HB       THR  34  -0.502  -5.845   1.380
  240    HG1  THR  34           HG1      THR  34   2.011  -6.150   2.662
  241   1HG2  THR  34          HG21      THR  34   0.254  -7.309  -0.287
  242   2HG2  THR  34          HG22      THR  34   0.650  -8.094   1.242
  243   3HG2  THR  34          HG23      THR  34   1.911  -7.277   0.321
  244    H    CYS  35           HN       CYS  35   1.800  -6.112  -1.351
  245    HA   CYS  35           HA       CYS  35   0.380  -4.421  -3.270
  246   1HB   CYS  35          HB2       CYS  35   2.307  -6.705  -3.749
  247   2HB   CYS  35          HB1       CYS  35   1.635  -5.644  -4.989
  248    H    HIS  36           HN       HIS  36  -1.596  -4.946  -3.925
  249    HA   HIS  36           HA       HIS  36  -2.373  -7.798  -4.020
  250   1HB   HIS  36          HB2       HIS  36  -4.146  -5.427  -3.387
  251   2HB   HIS  36          HB1       HIS  36  -4.703  -7.080  -3.590
  252    HD1  HIS  36           HD1      HIS  36  -3.230  -8.770  -1.826
  253    HD2  HIS  36           HD2      HIS  36  -3.956  -4.828  -0.792
  254    HE1  HIS  36           HE1      HIS  36  -3.052  -8.687   0.674
  255    HE2  HIS  36           HE2      HIS  36  -3.763  -6.352   1.285
  256    H    ASN  37           HN       ASN  37  -3.042  -8.504  -5.993
  257    HA   ASN  37           HA       ASN  37  -3.451  -8.469  -8.254
  258   1HB   ASN  37          HB2       ASN  37  -5.034  -6.010  -7.457
  259   2HB   ASN  37          HB1       ASN  37  -5.207  -6.875  -8.984
  260   1HD2  ASN  37          HD21      ASN  37  -6.467  -6.499  -5.977
  261   2HD2  ASN  37          HD22      ASN  37  -7.306  -8.000  -5.830
  262    H    TRP  38           HN       TRP  38  -1.046  -7.169  -7.360
  263    HA   TRP  38           HA       TRP  38   0.706  -6.035  -8.249
  264   1HB   TRP  38          HB2       TRP  38  -1.119  -5.423 -10.583
  265   2HB   TRP  38          HB1       TRP  38   0.620  -5.214 -10.549
  266    HD1  TRP  38           HD1      TRP  38  -2.035  -7.883 -10.708
  267    HE1  TRP  38           HE1      TRP  38  -0.997 -10.078 -11.586
  268    HE3  TRP  38           HE3      TRP  38   2.855  -6.476 -10.707
  269    HZ2  TRP  38           HZ2      TRP  38   1.581 -11.064 -12.180
  270    HZ3  TRP  38           HZ3      TRP  38   4.555  -8.094 -11.441
  271    HH2  TRP  38           HH2      TRP  38   3.930 -10.342 -12.160
  272    H    LYS  39           HN       LYS  39  -1.860  -4.707  -6.899
  273    HA   LYS  39           HA       LYS  39  -1.078  -1.916  -7.446
  274   1HB   LYS  39          HB2       LYS  39  -3.639  -2.987  -6.241
  275   2HB   LYS  39          HB1       LYS  39  -3.282  -1.291  -6.541
  276   1HG   LYS  39          HG2       LYS  39  -3.189  -1.715  -8.933
  277   2HG   LYS  39          HG1       LYS  39  -3.493  -3.431  -8.651
  278   1HD   LYS  39          HD2       LYS  39  -5.662  -2.861  -7.639
  279   2HD   LYS  39          HD1       LYS  39  -5.357  -1.155  -7.972
  280   1HE   LYS  39          HE2       LYS  39  -5.266  -1.641 -10.369
  281   2HE   LYS  39          HE1       LYS  39  -5.568  -3.348 -10.035
  282   1HZ   LYS  39          HZ1       LYS  39  -7.693  -2.587  -8.944
  283   2HZ   LYS  39          HZ2       LYS  39  -7.635  -2.407 -10.624
  284   3HZ   LYS  39          HZ3       LYS  39  -7.418  -1.061  -9.623
  285    H    CYS  40           HN       CYS  40  -1.588  -0.477  -5.337
  286    HA   CYS  40           HA       CYS  40  -0.263  -1.855  -3.111
  287   1HB   CYS  40          HB2       CYS  40   0.005   0.971  -4.097
  288   2HB   CYS  40          HB1       CYS  40   0.438   0.517  -2.451
  289    H    PHE  41           HN       PHE  41  -1.250  -2.100  -1.314
  290    HA   PHE  41           HA       PHE  41  -3.503  -0.327  -0.623
  291   1HB   PHE  41          HB2       PHE  41  -3.081  -3.236   0.127
  292   2HB   PHE  41          HB1       PHE  41  -4.405  -2.224   0.697
  293    HD1  PHE  41           HD1      PHE  41  -6.318  -3.158  -0.150
  294    HD2  PHE  41           HD2      PHE  41  -2.982  -2.611  -2.738
  295    HE1  PHE  41           HE1      PHE  41  -7.681  -3.882  -2.061
  296    HE2  PHE  41           HE2      PHE  41  -4.337  -3.325  -4.650
  297    HZ   PHE  41           HZ       PHE  41  -6.695  -3.950  -4.324
  298    H    CYS  42           HN       CYS  42  -3.469   0.564   1.435
  299    HA   CYS  42           HA       CYS  42  -0.999   0.058   2.953
  300   1HB   CYS  42          HB2       CYS  42  -2.866   2.450   3.006
  301   2HB   CYS  42          HB1       CYS  42  -1.379   2.286   3.927
  302    H    THR  43           HN       THR  43  -1.200   0.027   5.334
  303    HA   THR  43           HA       THR  43  -3.771  -1.140   6.151
  304    HB   THR  43           HB       THR  43  -2.424  -2.182   7.979
  305    HG1  THR  43           HG1      THR  43  -0.222  -2.069   7.904
  306   1HG2  THR  43          HG21      THR  43  -1.932  -3.978   6.746
  307   2HG2  THR  43          HG22      THR  43  -0.937  -3.054   5.620
  308   3HG2  THR  43          HG23      THR  43  -2.692  -3.068   5.443
  309    H    GLN  44           HN       GLN  44  -5.033  -0.059   7.489
  310    HA   GLN  44           HA       GLN  44  -3.821   1.922   9.306
  311   1HB   GLN  44          HB2       GLN  44  -4.865   3.019   7.349
  312   2HB   GLN  44          HB1       GLN  44  -6.391   2.246   7.746
  313   1HG   GLN  44          HG2       GLN  44  -6.504   3.474   9.833
  314   2HG   GLN  44          HG1       GLN  44  -4.934   4.208   9.508
  315   1HE2  GLN  44          HE21      GLN  44  -8.104   4.832   9.498
  316   2HE2  GLN  44          HE22      GLN  44  -8.184   6.027   8.255
  317    H    ASN  45           HN       ASN  45  -4.671   2.065  11.340
  318    HA   ASN  45           HA       ASN  45  -6.195  -0.169  12.287
  319   1HB   ASN  45          HB2       ASN  45  -5.280   2.333  13.734
  320   2HB   ASN  45          HB1       ASN  45  -5.913   0.876  14.494
  321   1HD2  ASN  45          HD21      ASN  45  -3.166   2.487  13.763
  322   2HD2  ASN  45          HD22      ASN  45  -2.050   1.172  13.780
  323    H    CYS  46           HN       CYS  46  -8.301  -0.217  13.031
  324    HA   CYS  46           HA       CYS  46  -9.897   2.187  13.189
  325   1HB   CYS  46          HB2       CYS  46 -11.560   1.424  11.512
  326   2HB   CYS  46          HB1       CYS  46  -9.995   1.821  10.801
  Start of MODEL   14
    1   1H    LYS   1          HT1       LYS   1  -8.469  -7.933  12.397
    2   2H    LYS   1          HT2       LYS   1  -7.204  -6.861  12.075
    3   3H    LYS   1          HT3       LYS   1  -8.409  -7.115  10.916
    4    HA   LYS   1           HA       LYS   1 -10.045  -6.025  12.209
    5   1HB   LYS   1          HB2       LYS   1  -7.914  -5.896  14.358
    6   2HB   LYS   1          HB1       LYS   1  -9.510  -5.170  14.468
    7   1HG   LYS   1          HG2       LYS   1 -10.535  -7.386  14.371
    8   2HG   LYS   1          HG1       LYS   1  -8.934  -8.123  14.247
    9   1HD   LYS   1          HD2       LYS   1  -8.338  -7.159  16.429
   10   2HD   LYS   1          HD1       LYS   1  -9.958  -6.470  16.555
   11   1HE   LYS   1          HE2       LYS   1 -10.921  -8.715  16.489
   12   2HE   LYS   1          HE1       LYS   1  -9.303  -9.408  16.346
   13   1HZ   LYS   1          HZ1       LYS   1  -8.772  -8.375  18.516
   14   2HZ   LYS   1          HZ2       LYS   1 -10.002  -9.531  18.619
   15   3HZ   LYS   1          HZ3       LYS   1 -10.386  -7.884  18.658
   16    H    THR   2           HN       THR   2  -8.435  -5.195  10.149
   17    HA   THR   2           HA       THR   2  -8.103  -2.370  10.782
   18    HB   THR   2           HB       THR   2  -5.935  -2.298   9.525
   19    HG1  THR   2           HG1      THR   2  -4.949  -4.102   8.947
   20   1HG2  THR   2          HG21      THR   2  -5.394  -2.107  11.704
   21   2HG2  THR   2          HG22      THR   2  -4.641  -3.667  11.376
   22   3HG2  THR   2          HG23      THR   2  -6.217  -3.597  12.160
   23    H    CYS   3           HN       CYS   3  -7.772  -1.058   8.746
   24    HA   CYS   3           HA       CYS   3  -9.335  -2.301   6.574
   25   1HB   CYS   3          HB2       CYS   3  -9.156   0.611   7.368
   26   2HB   CYS   3          HB1       CYS   3 -10.051  -0.001   5.982
   27    H    GLU   4           HN       GLU   4  -8.665  -2.162   4.480
   28    HA   GLU   4           HA       GLU   4  -6.006  -0.973   4.034
   29   1HB   GLU   4          HB2       GLU   4  -7.245  -3.379   2.684
   30   2HB   GLU   4          HB1       GLU   4  -5.735  -2.632   2.185
   31   1HG   GLU   4          HG2       GLU   4  -4.814  -3.121   4.440
   32   2HG   GLU   4          HG1       GLU   4  -6.299  -3.995   4.807
   33    H    HIS   5           HN       HIS   5  -5.694   0.386   2.354
   34    HA   HIS   5           HA       HIS   5  -7.866   0.753   0.421
   35   1HB   HIS   5          HB2       HIS   5  -6.630   2.998   2.031
   36   2HB   HIS   5          HB1       HIS   5  -7.737   3.215   0.681
   37    HD1  HIS   5           HD1      HIS   5 -10.087   1.668   1.152
   38    HD2  HIS   5           HD2      HIS   5  -7.953   3.203   4.368
   39    HE1  HIS   5           HE1      HIS   5 -11.698   1.671   3.085
   40    HE2  HIS   5           HE2      HIS   5 -10.425   2.747   4.976
   41    H    LEU   6           HN       LEU   6  -7.268   1.513  -1.576
   42    HA   LEU   6           HA       LEU   6  -4.424   1.333  -2.201
   43   1HB   LEU   6          HB2       LEU   6  -5.930   0.005  -3.533
   44   2HB   LEU   6          HB1       LEU   6  -6.904   1.412  -3.932
   45    HG   LEU   6           HG       LEU   6  -5.502   0.611  -5.799
   46   1HD1  LEU   6          HD11      LEU   6  -4.410   3.269  -4.991
   47   2HD1  LEU   6          HD12      LEU   6  -6.119   3.080  -5.376
   48   3HD1  LEU   6          HD13      LEU   6  -4.894   2.692  -6.582
   49   1HD2  LEU   6          HD21      LEU   6  -3.119   1.578  -4.269
   50   2HD2  LEU   6          HD22      LEU   6  -3.172   0.631  -5.753
   51   3HD2  LEU   6          HD23      LEU   6  -3.640  -0.106  -4.220
   52    H    ALA   7           HN       ALA   7  -3.189   3.086  -2.453
   53    HA   ALA   7           HA       ALA   7  -4.363   5.714  -2.339
   54   1HB   ALA   7          HB1       ALA   7  -1.554   5.803  -2.892
   55   2HB   ALA   7          HB2       ALA   7  -1.885   4.591  -1.651
   56   3HB   ALA   7          HB3       ALA   7  -2.422   6.254  -1.423
   57    H    ASP   8           HN       ASP   8  -4.608   7.180  -3.913
   58    HA   ASP   8           HA       ASP   8  -4.225   6.308  -6.657
   59   1HB   ASP   8          HB2       ASP   8  -5.502   8.418  -7.181
   60   2HB   ASP   8          HB1       ASP   8  -6.361   7.260  -6.172
   61    H    THR   9           HN       THR   9  -1.912   7.242  -4.891
   62    HA   THR   9           HA       THR   9  -0.944   9.445  -6.593
   63    HB   THR   9           HB       THR   9  -0.954  10.098  -4.295
   64    HG1  THR   9           HG1      THR   9   0.933  10.939  -4.512
   65   1HG2  THR   9          HG21      THR   9   0.362   7.481  -3.778
   66   2HG2  THR   9          HG22      THR   9  -1.035   8.205  -2.991
   67   3HG2  THR   9          HG23      THR   9   0.584   8.839  -2.680
   68    H    TYR  10           HN       TYR  10  -0.241   6.190  -5.497
   69    HA   TYR  10           HA       TYR  10   1.905   6.016  -7.503
   70   1HB   TYR  10          HB2       TYR  10   3.118   6.144  -5.455
   71   2HB   TYR  10          HB1       TYR  10   2.027   5.008  -4.678
   72    HD1  TYR  10           HD1      TYR  10   4.193   5.153  -7.681
   73    HD2  TYR  10           HD2      TYR  10   2.810   2.817  -4.410
   74    HE1  TYR  10           HE1      TYR  10   5.694   3.337  -8.359
   75    HE2  TYR  10           HE2      TYR  10   4.323   0.990  -5.077
   76    HH   TYR  10           HH       TYR  10   6.845   1.376  -7.145
   77    H    ARG  11           HN       ARG  11   1.204   4.572  -8.972
   78    HA   ARG  11           HA       ARG  11   0.267   1.982  -8.030
   79   1HB   ARG  11          HB2       ARG  11  -1.390   3.721  -9.857
   80   2HB   ARG  11          HB1       ARG  11  -1.749   2.048  -9.454
   81   1HG   ARG  11          HG2       ARG  11  -2.094   2.630  -7.128
   82   2HG   ARG  11          HG1       ARG  11  -1.606   4.298  -7.440
   83   1HD   ARG  11          HD2       ARG  11  -3.999   2.897  -8.649
   84   2HD   ARG  11          HD1       ARG  11  -4.049   4.078  -7.337
   85    HE   ARG  11           HE       ARG  11  -2.757   5.292  -9.487
   86   1HH1  ARG  11          HH11      ARG  11  -5.917   4.014  -8.784
   87   2HH1  ARG  11          HH12      ARG  11  -6.734   5.108  -9.841
   88   1HH2  ARG  11          HH21      ARG  11  -3.839   6.727 -10.884
   89   2HH2  ARG  11          HH22      ARG  11  -5.558   6.647 -11.031
   90    H    GLY  12           HN       GLY  12   1.661   0.658  -9.017
   91   1HA   GLY  12          HA2       GLY  12   1.748   0.655 -11.935
   92   2HA   GLY  12          HA1       GLY  12   3.286   0.889 -11.112
   93    H    VAL  13           HN       VAL  13   3.947  -1.104 -12.196
   94    HA   VAL  13           HA       VAL  13   2.668  -3.582 -11.413
   95    HB   VAL  13           HB       VAL  13   5.301  -3.186 -12.852
   96   1HG1  VAL  13          HG11      VAL  13   3.646  -5.580 -12.194
   97   2HG1  VAL  13          HG12      VAL  13   5.397  -5.372 -12.146
   98   3HG1  VAL  13          HG13      VAL  13   4.573  -5.559 -13.695
   99   1HG2  VAL  13          HG21      VAL  13   2.482  -3.286 -13.823
  100   2HG2  VAL  13          HG22      VAL  13   3.767  -3.957 -14.827
  101   3HG2  VAL  13          HG23      VAL  13   3.818  -2.261 -14.347
  102    H    CYS  14           HN       CYS  14   3.021  -4.485  -9.447
  103    HA   CYS  14           HA       CYS  14   5.436  -3.722  -7.991
  104   1HB   CYS  14          HB2       CYS  14   3.482  -3.619  -6.646
  105   2HB   CYS  14          HB1       CYS  14   2.982  -5.247  -7.123
  106    H    PHE  15           HN       PHE  15   6.990  -5.089  -7.223
  107    HA   PHE  15           HA       PHE  15   7.028  -7.804  -8.364
  108   1HB   PHE  15          HB2       PHE  15   9.372  -5.925  -7.977
  109   2HB   PHE  15          HB1       PHE  15   9.486  -7.585  -8.557
  110    HD1  PHE  15           HD1      PHE  15   9.678  -7.887 -10.813
  111    HD2  PHE  15           HD2      PHE  15   7.643  -4.432  -9.389
  112    HE1  PHE  15           HE1      PHE  15   9.406  -7.094 -13.127
  113    HE2  PHE  15           HE2      PHE  15   7.362  -3.638 -11.697
  114    HZ   PHE  15           HZ       PHE  15   8.244  -4.969 -13.571
  115    H    THR  16           HN       THR  16   8.128  -5.740  -5.700
  116    HA   THR  16           HA       THR  16   8.217  -8.113  -3.958
  117    HB   THR  16           HB       THR  16  10.162  -7.131  -2.789
  118    HG1  THR  16           HG1      THR  16   9.807  -4.943  -3.383
  119   1HG2  THR  16          HG21      THR  16  11.252  -7.051  -5.488
  120   2HG2  THR  16          HG22      THR  16  10.269  -8.478  -5.158
  121   3HG2  THR  16          HG23      THR  16  11.650  -8.101  -4.128
  122    H    ASN  17           HN       ASN  17   7.573  -7.791  -1.818
  123    HA   ASN  17           HA       ASN  17   5.490  -6.096  -1.283
  124   1HB   ASN  17          HB2       ASN  17   7.478  -7.249   0.685
  125   2HB   ASN  17          HB1       ASN  17   5.887  -6.621   1.102
  126   1HD2  ASN  17          HD21      ASN  17   4.474  -8.183   1.451
  127   2HD2  ASN  17          HD22      ASN  17   4.402  -9.693   0.618
  128    H    ALA  18           HN       ALA  18   8.930  -5.422  -0.823
  129    HA   ALA  18           HA       ALA  18   8.791  -3.139   0.770
  130   1HB   ALA  18          HB1       ALA  18  10.817  -3.581  -1.415
  131   2HB   ALA  18          HB2       ALA  18  10.848  -4.434   0.129
  132   3HB   ALA  18          HB3       ALA  18  11.021  -2.679   0.087
  133    H    SER  19           HN       SER  19   7.905  -3.494  -2.565
  134    HA   SER  19           HA       SER  19   8.330  -0.874  -3.488
  135   1HB   SER  19          HB2       SER  19   7.904  -2.677  -5.028
  136   2HB   SER  19          HB1       SER  19   6.309  -2.961  -4.334
  137    HG   SER  19           HG       SER  19   7.156  -0.634  -5.733
  138    H    CYS  20           HN       CYS  20   5.382  -2.313  -2.060
  139    HA   CYS  20           HA       CYS  20   3.991   0.218  -2.133
  140   1HB   CYS  20          HB2       CYS  20   3.242  -2.376  -0.782
  141   2HB   CYS  20          HB1       CYS  20   2.198  -0.987  -1.005
  142    H    ASP  21           HN       ASP  21   5.600  -1.770   0.278
  143    HA   ASP  21           HA       ASP  21   4.841  -0.552   2.634
  144   1HB   ASP  21          HB2       ASP  21   6.401  -2.499   2.465
  145   2HB   ASP  21          HB1       ASP  21   7.665  -1.404   1.918
  146    H    ASP  22           HN       ASP  22   7.629   0.303   0.609
  147    HA   ASP  22           HA       ASP  22   8.409   2.688   1.819
  148   1HB   ASP  22          HB2       ASP  22   9.583   1.445  -0.050
  149   2HB   ASP  22          HB1       ASP  22   8.405   2.129  -1.160
  150    H    HIS  23           HN       HIS  23   6.157   2.152  -0.861
  151    HA   HIS  23           HA       HIS  23   5.267   4.690  -1.414
  152   1HB   HIS  23          HB2       HIS  23   4.544   2.832  -2.736
  153   2HB   HIS  23          HB1       HIS  23   3.819   2.040  -1.363
  154    HD1  HIS  23           HD1      HIS  23   3.288   5.509  -2.734
  155    HD2  HIS  23           HD2      HIS  23   1.169   2.082  -1.925
  156    HE1  HIS  23           HE1      HIS  23   0.872   6.090  -3.156
  157    HE2  HIS  23           HE2      HIS  23  -0.346   3.921  -2.865
  158    H    CYS  24           HN       CYS  24   3.743   2.443   0.868
  159    HA   CYS  24           HA       CYS  24   1.869   4.229   1.907
  160   1HB   CYS  24          HB2       CYS  24   3.145   1.777   3.095
  161   2HB   CYS  24          HB1       CYS  24   1.855   2.669   3.902
  162    H    LYS  25           HN       LYS  25   5.236   3.742   2.910
  163    HA   LYS  25           HA       LYS  25   4.911   5.421   5.225
  164   1HB   LYS  25          HB2       LYS  25   7.323   4.213   3.899
  165   2HB   LYS  25          HB1       LYS  25   7.449   5.281   5.292
  166   1HG   LYS  25          HG2       LYS  25   6.070   3.752   6.601
  167   2HG   LYS  25          HG1       LYS  25   5.923   2.685   5.201
  168   1HD   LYS  25          HD2       LYS  25   8.246   2.180   5.236
  169   2HD   LYS  25          HD1       LYS  25   8.572   3.457   6.410
  170   1HE   LYS  25          HE2       LYS  25   8.594   1.232   7.439
  171   2HE   LYS  25          HE1       LYS  25   7.328   2.261   8.106
  172   1HZ   LYS  25          HZ1       LYS  25   5.678   1.018   7.127
  173   2HZ   LYS  25          HZ2       LYS  25   6.817  -0.187   7.452
  174   3HZ   LYS  25          HZ3       LYS  25   6.672   0.425   5.868
  175    H    ASN  26           HN       ASN  26   6.029   5.919   1.926
  176    HA   ASN  26           HA       ASN  26   6.918   8.615   2.544
  177   1HB   ASN  26          HB2       ASN  26   6.961   6.954   0.036
  178   2HB   ASN  26          HB1       ASN  26   7.491   8.618   0.074
  179   1HD2  ASN  26          HD21      ASN  26   8.601   5.738  -0.042
  180   2HD2  ASN  26          HD22      ASN  26  10.053   5.906   0.869
  181    H    LYS  27           HN       LYS  27   4.144   7.113   0.929
  182    HA   LYS  27           HA       LYS  27   3.231   9.723  -0.018
  183   1HB   LYS  27          HB2       LYS  27   1.998   6.979  -0.285
  184   2HB   LYS  27          HB1       LYS  27   1.339   8.443  -0.994
  185   1HG   LYS  27          HG2       LYS  27   4.056   7.320  -1.631
  186   2HG   LYS  27          HG1       LYS  27   2.591   7.020  -2.571
  187   1HD   LYS  27          HD2       LYS  27   2.383   9.461  -2.945
  188   2HD   LYS  27          HD1       LYS  27   3.915   9.691  -2.095
  189   1HE   LYS  27          HE2       LYS  27   5.066   8.353  -3.761
  190   2HE   LYS  27          HE1       LYS  27   3.542   8.022  -4.584
  191   1HZ   LYS  27          HZ1       LYS  27   5.109  10.504  -4.512
  192   2HZ   LYS  27          HZ2       LYS  27   3.428  10.616  -4.684
  193   3HZ   LYS  27          HZ3       LYS  27   4.339   9.757  -5.822
  194    H    ALA  28           HN       ALA  28   1.794   7.124   1.981
  195    HA   ALA  28           HA       ALA  28   0.265   9.194   3.408
  196   1HB   ALA  28          HB1       ALA  28  -0.974   6.552   3.358
  197   2HB   ALA  28          HB2       ALA  28  -0.814   7.285   1.764
  198   3HB   ALA  28          HB3       ALA  28  -1.674   8.141   3.044
  199    H    HIS  29           HN       HIS  29   1.904   9.226   4.933
  200    HA   HIS  29           HA       HIS  29   3.307   7.560   6.376
  201   1HB   HIS  29          HB2       HIS  29   3.181   9.992   6.732
  202   2HB   HIS  29          HB1       HIS  29   1.665   9.787   7.595
  203    HD1  HIS  29           HD1      HIS  29   2.124   7.815   9.679
  204    HD2  HIS  29           HD2      HIS  29   5.113  10.435   8.490
  205    HE1  HIS  29           HE1      HIS  29   3.725   7.940  11.629
  206    HE2  HIS  29           HE2      HIS  29   5.524   9.545  10.887
  207    H    LEU  30           HN       LEU  30   1.953   5.591   6.161
  208    HA   LEU  30           HA       LEU  30   0.252   5.183   8.538
  209   1HB   LEU  30          HB2       LEU  30   0.138   4.064   5.789
  210   2HB   LEU  30          HB1       LEU  30  -0.332   3.001   7.103
  211    HG   LEU  30           HG       LEU  30  -2.277   4.078   6.108
  212   1HD1  LEU  30          HD11      LEU  30  -2.873   3.664   8.240
  213   2HD1  LEU  30          HD12      LEU  30  -2.923   5.425   8.317
  214   3HD1  LEU  30          HD13      LEU  30  -1.511   4.557   8.916
  215   1HD2  LEU  30          HD21      LEU  30  -1.474   6.102   5.236
  216   2HD2  LEU  30          HD22      LEU  30  -0.829   6.615   6.794
  217   3HD2  LEU  30          HD23      LEU  30  -2.573   6.557   6.536
  218    H    ILE  31           HN       ILE  31   0.271   2.528   8.925
  219    HA   ILE  31           HA       ILE  31   2.846   2.118  10.046
  220    HB   ILE  31           HB       ILE  31   1.945  -0.025  10.873
  221   1HG1  ILE  31          HG12      ILE  31  -0.585   0.887   9.495
  222   2HG1  ILE  31          HG11      ILE  31   0.408  -0.491   9.034
  223   1HG2  ILE  31          HG21      ILE  31   1.737   1.789  12.334
  224   2HG2  ILE  31          HG22      ILE  31   0.126   1.075  12.279
  225   3HG2  ILE  31          HG23      ILE  31   0.472   2.539  11.359
  226   1HD1  ILE  31          HD11      ILE  31  -1.069  -0.187  11.636
  227   2HD1  ILE  31          HD12      ILE  31  -0.109  -1.583  11.142
  228   3HD1  ILE  31          HD13      ILE  31  -1.581  -1.170  10.264
  229    H    SER  32           HN       SER  32   1.086   0.292   7.491
  230    HA   SER  32           HA       SER  32   3.663  -0.380   6.323
  231   1HB   SER  32          HB2       SER  32   3.274  -2.805   6.335
  232   2HB   SER  32          HB1       SER  32   3.360  -2.166   7.978
  233    HG   SER  32           HG       SER  32   1.534  -3.229   8.159
  234    H    GLY  33           HN       GLY  33   3.452  -1.633   4.278
  235   1HA   GLY  33          HA2       GLY  33   0.843  -1.364   2.956
  236   2HA   GLY  33          HA1       GLY  33   2.217  -0.517   2.259
  237    H    THR  34           HN       THR  34   0.385  -3.070   1.724
  238    HA   THR  34           HA       THR  34   2.628  -4.739   0.774
  239    HB   THR  34           HB       THR  34  -0.125  -5.610   1.690
  240    HG1  THR  34           HG1      THR  34   0.857  -5.919   3.505
  241   1HG2  THR  34          HG21      THR  34   0.402  -7.131  -0.027
  242   2HG2  THR  34          HG22      THR  34   0.849  -7.923   1.485
  243   3HG2  THR  34          HG23      THR  34   2.095  -7.212   0.462
  244    H    CYS  35           HN       CYS  35   2.138  -6.025  -1.204
  245    HA   CYS  35           HA       CYS  35   0.815  -4.326  -3.163
  246   1HB   CYS  35          HB2       CYS  35   2.573  -6.762  -3.464
  247   2HB   CYS  35          HB1       CYS  35   1.844  -5.909  -4.823
  248    H    HIS  36           HN       HIS  36  -1.112  -4.695  -4.033
  249    HA   HIS  36           HA       HIS  36  -2.227  -7.433  -3.910
  250   1HB   HIS  36          HB2       HIS  36  -3.708  -4.820  -3.550
  251   2HB   HIS  36          HB1       HIS  36  -4.483  -6.387  -3.743
  252    HD1  HIS  36           HD1      HIS  36  -3.613  -8.193  -1.804
  253    HD2  HIS  36           HD2      HIS  36  -3.389  -4.140  -0.982
  254    HE1  HIS  36           HE1      HIS  36  -3.585  -8.011   0.695
  255    HE2  HIS  36           HE2      HIS  36  -3.634  -5.541   1.189
  256    H    ASN  37           HN       ASN  37  -2.791  -8.221  -5.854
  257    HA   ASN  37           HA       ASN  37  -2.576  -8.234  -8.176
  258   1HB   ASN  37          HB2       ASN  37  -4.750  -7.551  -9.121
  259   2HB   ASN  37          HB1       ASN  37  -4.891  -8.540  -7.678
  260   1HD2  ASN  37          HD21      ASN  37  -4.086  -5.225  -7.061
  261   2HD2  ASN  37          HD22      ASN  37  -5.666  -4.735  -6.597
  262    H    TRP  38           HN       TRP  38  -0.667  -6.709  -8.129
  263    HA   TRP  38           HA       TRP  38   0.530  -5.045  -9.110
  264   1HB   TRP  38          HB2       TRP  38  -1.878  -4.744 -10.901
  265   2HB   TRP  38          HB1       TRP  38  -0.262  -4.170 -11.229
  266    HD1  TRP  38           HD1      TRP  38  -1.612  -7.614 -10.236
  267    HE1  TRP  38           HE1      TRP  38  -0.618  -9.371 -11.844
  268    HE3  TRP  38           HE3      TRP  38   1.115  -4.496 -13.165
  269    HZ2  TRP  38           HZ2      TRP  38   1.117  -9.397 -14.077
  270    HZ3  TRP  38           HZ3      TRP  38   2.422  -5.445 -15.025
  271    HH2  TRP  38           HH2      TRP  38   2.422  -7.847 -15.469
  272    H    LYS  39           HN       LYS  39  -1.394  -4.311  -6.891
  273    HA   LYS  39           HA       LYS  39  -1.296  -1.407  -7.357
  274   1HB   LYS  39          HB2       LYS  39  -3.628  -2.898  -6.147
  275   2HB   LYS  39          HB1       LYS  39  -3.480  -1.151  -6.224
  276   1HG   LYS  39          HG2       LYS  39  -3.539  -1.250  -8.656
  277   2HG   LYS  39          HG1       LYS  39  -3.659  -3.012  -8.582
  278   1HD   LYS  39          HD2       LYS  39  -5.763  -2.788  -7.315
  279   2HD   LYS  39          HD1       LYS  39  -5.652  -1.035  -7.473
  280   1HE   LYS  39          HE2       LYS  39  -5.756  -1.255  -9.912
  281   2HE   LYS  39          HE1       LYS  39  -5.879  -3.009  -9.745
  282   1HZ   LYS  39          HZ1       LYS  39  -8.073  -2.394  -9.945
  283   2HZ   LYS  39          HZ2       LYS  39  -7.876  -0.941  -9.102
  284   3HZ   LYS  39          HZ3       LYS  39  -7.911  -2.408  -8.261
  285    H    CYS  40           HN       CYS  40  -1.140  -0.119  -5.383
  286    HA   CYS  40           HA       CYS  40  -0.055  -1.684  -3.148
  287   1HB   CYS  40          HB2       CYS  40   0.557   1.097  -4.124
  288   2HB   CYS  40          HB1       CYS  40   1.017   0.532  -2.522
  289    H    PHE  41           HN       PHE  41  -1.357  -1.942  -1.509
  290    HA   PHE  41           HA       PHE  41  -3.220   0.226  -0.771
  291   1HB   PHE  41          HB2       PHE  41  -3.324  -2.701   0.014
  292   2HB   PHE  41          HB1       PHE  41  -4.492  -1.472   0.475
  293    HD1  PHE  41           HD1      PHE  41  -2.963  -2.463  -2.793
  294    HD2  PHE  41           HD2      PHE  41  -6.491  -1.863  -0.503
  295    HE1  PHE  41           HE1      PHE  41  -4.322  -3.050  -4.740
  296    HE2  PHE  41           HE2      PHE  41  -7.859  -2.443  -2.456
  297    HZ   PHE  41           HZ       PHE  41  -6.777  -3.025  -4.590
  298    H    CYS  42           HN       CYS  42  -3.322   0.857   1.421
  299    HA   CYS  42           HA       CYS  42  -0.936   0.113   2.963
  300   1HB   CYS  42          HB2       CYS  42  -2.619   2.628   3.001
  301   2HB   CYS  42          HB1       CYS  42  -1.289   2.303   4.105
  302    H    THR  43           HN       THR  43  -1.205   0.137   5.358
  303    HA   THR  43           HA       THR  43  -3.812  -1.000   6.098
  304    HB   THR  43           HB       THR  43  -2.503  -1.992   8.008
  305    HG1  THR  43           HG1      THR  43  -0.086  -2.026   7.065
  306   1HG2  THR  43          HG21      THR  43  -2.070  -3.865   6.864
  307   2HG2  THR  43          HG22      THR  43  -1.088  -3.030   5.660
  308   3HG2  THR  43          HG23      THR  43  -2.846  -3.001   5.537
  309    H    GLN  44           HN       GLN  44  -5.059   0.014   7.525
  310    HA   GLN  44           HA       GLN  44  -3.851   1.978   9.347
  311   1HB   GLN  44          HB2       GLN  44  -4.779   3.172   7.379
  312   2HB   GLN  44          HB1       GLN  44  -6.353   2.467   7.715
  313   1HG   GLN  44          HG2       GLN  44  -6.463   3.647   9.832
  314   2HG   GLN  44          HG1       GLN  44  -4.846   4.298   9.574
  315   1HE2  GLN  44          HE21      GLN  44  -7.973   5.106   9.500
  316   2HE2  GLN  44          HE22      GLN  44  -7.946   6.346   8.298
  317    H    ASN  45           HN       ASN  45  -5.000   2.354  11.272
  318    HA   ASN  45           HA       ASN  45  -6.413   0.077  12.269
  319   1HB   ASN  45          HB2       ASN  45  -5.827   2.770  13.524
  320   2HB   ASN  45          HB1       ASN  45  -6.464   1.371  14.382
  321   1HD2  ASN  45          HD21      ASN  45  -4.959   0.429  15.557
  322   2HD2  ASN  45          HD22      ASN  45  -3.301   0.233  15.116
  323    H    CYS  46           HN       CYS  46  -8.552  -0.232  12.494
  324    HA   CYS  46           HA       CYS  46 -10.414   1.987  12.519
  325   1HB   CYS  46          HB2       CYS  46 -11.746   1.123  10.621
  326   2HB   CYS  46          HB1       CYS  46 -10.142   1.660  10.123
  Start of MODEL   15
    1   1H    LYS   1          HT1       LYS   1 -10.373  -3.132  16.361
    2   2H    LYS   1          HT2       LYS   1 -11.326  -2.327  15.218
    3   3H    LYS   1          HT3       LYS   1  -9.797  -1.725  15.613
    4    HA   LYS   1           HA       LYS   1  -9.071  -4.133  14.833
    5   1HB   LYS   1          HB2       LYS   1 -11.597  -3.465  13.294
    6   2HB   LYS   1          HB1       LYS   1 -10.439  -4.689  12.795
    7   1HG   LYS   1          HG2       LYS   1 -10.864  -5.926  14.865
    8   2HG   LYS   1          HG1       LYS   1 -12.049  -4.706  15.341
    9   1HD   LYS   1          HD2       LYS   1 -13.407  -5.227  13.393
   10   2HD   LYS   1          HD1       LYS   1 -12.197  -6.385  12.835
   11   1HE   LYS   1          HE2       LYS   1 -12.563  -7.722  14.866
   12   2HE   LYS   1          HE1       LYS   1 -13.800  -6.577  15.388
   13   1HZ   LYS   1          HZ1       LYS   1 -14.892  -8.406  14.359
   14   2HZ   LYS   1          HZ2       LYS   1 -13.879  -8.349  13.004
   15   3HZ   LYS   1          HZ3       LYS   1 -14.998  -7.109  13.275
   16    H    THR   2           HN       THR   2  -8.558  -4.109  12.228
   17    HA   THR   2           HA       THR   2  -7.729  -1.351  11.601
   18    HB   THR   2           HB       THR   2  -5.656  -2.279  10.618
   19    HG1  THR   2           HG1      THR   2  -5.493  -4.631  11.737
   20   1HG2  THR   2          HG21      THR   2  -5.768  -1.572  13.047
   21   2HG2  THR   2          HG22      THR   2  -4.454  -2.659  12.596
   22   3HG2  THR   2          HG23      THR   2  -5.873  -3.288  13.433
   23    H    CYS   3           HN       CYS   3  -7.900  -0.692   9.493
   24    HA   CYS   3           HA       CYS   3  -9.182  -2.623   7.670
   25   1HB   CYS   3          HB2       CYS   3 -10.208  -0.533   6.622
   26   2HB   CYS   3          HB1       CYS   3 -10.803  -1.000   8.209
   27    H    GLU   4           HN       GLU   4  -8.560  -2.732   5.549
   28    HA   GLU   4           HA       GLU   4  -6.039  -1.369   4.897
   29   1HB   GLU   4          HB2       GLU   4  -5.618  -3.189   3.301
   30   2HB   GLU   4          HB1       GLU   4  -5.855  -3.817   4.924
   31   1HG   GLU   4          HG2       GLU   4  -8.092  -4.524   4.377
   32   2HG   GLU   4          HG1       GLU   4  -7.985  -3.767   2.792
   33    H    HIS   5           HN       HIS   5  -5.816  -0.260   2.989
   34    HA   HIS   5           HA       HIS   5  -8.099  -0.161   1.159
   35   1HB   HIS   5          HB2       HIS   5  -6.911   2.273   2.503
   36   2HB   HIS   5          HB1       HIS   5  -8.051   2.330   1.163
   37    HD1  HIS   5           HD1      HIS   5 -10.328   0.710   1.849
   38    HD2  HIS   5           HD2      HIS   5  -8.205   2.693   4.818
   39    HE1  HIS   5           HE1      HIS   5 -11.904   0.873   3.806
   40    HE2  HIS   5           HE2      HIS   5 -10.567   2.004   5.619
   41    H    LEU   6           HN       LEU   6  -7.639   0.625  -0.915
   42    HA   LEU   6           HA       LEU   6  -4.881   0.257  -1.712
   43   1HB   LEU   6          HB2       LEU   6  -6.658  -0.823  -2.984
   44   2HB   LEU   6          HB1       LEU   6  -7.386   0.736  -3.331
   45    HG   LEU   6           HG       LEU   6  -4.649  -0.097  -4.307
   46   1HD1  LEU   6          HD11      LEU   6  -7.062   0.048  -6.051
   47   2HD1  LEU   6          HD12      LEU   6  -6.780  -1.399  -5.083
   48   3HD1  LEU   6          HD13      LEU   6  -5.574  -0.875  -6.256
   49   1HD2  LEU   6          HD21      LEU   6  -5.801   1.798  -5.992
   50   2HD2  LEU   6          HD22      LEU   6  -4.481   2.059  -4.854
   51   3HD2  LEU   6          HD23      LEU   6  -6.145   2.379  -4.364
   52    H    ALA   7           HN       ALA   7  -3.489   1.825  -2.251
   53    HA   ALA   7           HA       ALA   7  -4.366   4.589  -1.930
   54   1HB   ALA   7          HB1       ALA   7  -1.671   4.710  -2.432
   55   2HB   ALA   7          HB2       ALA   7  -1.852   3.152  -1.623
   56   3HB   ALA   7          HB3       ALA   7  -2.425   4.624  -0.840
   57    H    ASP   8           HN       ASP   8  -4.823   5.897  -3.535
   58    HA   ASP   8           HA       ASP   8  -4.498   5.108  -6.276
   59   1HB   ASP   8          HB2       ASP   8  -5.561   7.669  -5.070
   60   2HB   ASP   8          HB1       ASP   8  -5.700   7.206  -6.762
   61    H    THR   9           HN       THR   9  -2.362   6.603  -4.167
   62    HA   THR   9           HA       THR   9  -1.067   8.136  -6.331
   63    HB   THR   9           HB       THR   9   0.168   9.312  -4.558
   64    HG1  THR   9           HG1      THR   9  -0.267   8.897  -2.408
   65   1HG2  THR   9          HG21      THR   9  -1.498  10.713  -3.839
   66   2HG2  THR   9          HG22      THR   9  -2.655   9.401  -3.619
   67   3HG2  THR   9          HG23      THR   9  -2.249   9.956  -5.243
   68    H    TYR  10           HN       TYR  10  -0.734   5.598  -6.733
   69    HA   TYR  10           HA       TYR  10   1.813   4.807  -5.497
   70   1HB   TYR  10          HB2       TYR  10  -0.140   3.279  -5.245
   71   2HB   TYR  10          HB1       TYR  10  -0.221   3.122  -6.993
   72    HD1  TYR  10           HD1      TYR  10   0.255   0.889  -7.416
   73    HD2  TYR  10           HD2      TYR  10   2.762   3.063  -4.753
   74    HE1  TYR  10           HE1      TYR  10   1.830  -0.996  -7.369
   75    HE2  TYR  10           HE2      TYR  10   4.343   1.176  -4.694
   76    HH   TYR  10           HH       TYR  10   3.715  -1.759  -5.422
   77    H    ARG  11           HN       ARG  11   2.665   2.985  -7.512
   78    HA   ARG  11           HA       ARG  11   3.465   4.829  -9.630
   79   1HB   ARG  11          HB2       ARG  11   4.840   2.249  -8.855
   80   2HB   ARG  11          HB1       ARG  11   5.511   3.618  -9.732
   81   1HG   ARG  11          HG2       ARG  11   5.324   4.967  -7.644
   82   2HG   ARG  11          HG1       ARG  11   4.808   3.504  -6.801
   83   1HD   ARG  11          HD2       ARG  11   7.433   3.832  -8.259
   84   2HD   ARG  11          HD1       ARG  11   7.219   3.990  -6.516
   85    HE   ARG  11           HE       ARG  11   6.230   1.491  -7.259
   86   1HH1  ARG  11          HH11      ARG  11   9.298   3.149  -7.199
   87   2HH1  ARG  11          HH12      ARG  11  10.216   1.701  -6.983
   88   1HH2  ARG  11          HH21      ARG  11   7.447  -0.408  -6.968
   89   2HH2  ARG  11          HH22      ARG  11   9.167  -0.311  -6.851
   90    H    GLY  12           HN       GLY  12   4.585   2.518 -11.141
   91   1HA   GLY  12          HA2       GLY  12   2.132   1.799 -12.554
   92   2HA   GLY  12          HA1       GLY  12   3.774   1.576 -13.142
   93    H    VAL  13           HN       VAL  13   4.754  -0.381 -12.882
   94    HA   VAL  13           HA       VAL  13   3.094  -2.562 -11.894
   95    HB   VAL  13           HB       VAL  13   5.793  -2.655 -13.256
   96   1HG1  VAL  13          HG11      VAL  13   3.861  -4.790 -12.422
   97   2HG1  VAL  13          HG12      VAL  13   5.605  -4.702 -12.176
   98   3HG1  VAL  13          HG13      VAL  13   4.959  -5.037 -13.782
   99   1HG2  VAL  13          HG21      VAL  13   3.076  -3.152 -14.462
  100   2HG2  VAL  13          HG22      VAL  13   4.630  -3.146 -15.294
  101   3HG2  VAL  13          HG23      VAL  13   3.980  -1.649 -14.627
  102    H    CYS  14           HN       CYS  14   3.608  -3.939 -10.192
  103    HA   CYS  14           HA       CYS  14   5.748  -2.981  -8.407
  104   1HB   CYS  14          HB2       CYS  14   3.563  -3.044  -7.341
  105   2HB   CYS  14          HB1       CYS  14   3.363  -4.741  -7.791
  106    H    PHE  15           HN       PHE  15   7.197  -4.411  -7.417
  107    HA   PHE  15           HA       PHE  15   7.426  -7.045  -8.701
  108   1HB   PHE  15          HB2       PHE  15   9.708  -5.182  -8.007
  109   2HB   PHE  15          HB1       PHE  15   9.879  -6.810  -8.658
  110    HD1  PHE  15           HD1      PHE  15  10.394  -6.935 -10.870
  111    HD2  PHE  15           HD2      PHE  15   8.014  -3.678  -9.523
  112    HE1  PHE  15           HE1      PHE  15  10.350  -6.026 -13.156
  113    HE2  PHE  15           HE2      PHE  15   7.957  -2.767 -11.804
  114    HZ   PHE  15           HZ       PHE  15   9.126  -3.942 -13.627
  115    H    THR  16           HN       THR  16   8.504  -5.133  -5.876
  116    HA   THR  16           HA       THR  16   8.416  -7.623  -4.293
  117    HB   THR  16           HB       THR  16  10.272  -6.743  -2.951
  118    HG1  THR  16           HG1      THR  16   9.771  -4.482  -3.407
  119   1HG2  THR  16          HG21      THR  16  11.310  -6.338  -5.685
  120   2HG2  THR  16          HG22      THR  16  10.575  -7.900  -5.321
  121   3HG2  THR  16          HG23      THR  16  11.942  -7.323  -4.365
  122    H    ASN  17           HN       ASN  17   7.568  -7.559  -2.246
  123    HA   ASN  17           HA       ASN  17   5.429  -6.032  -1.598
  124   1HB   ASN  17          HB2       ASN  17   7.455  -7.137   0.366
  125   2HB   ASN  17          HB1       ASN  17   5.784  -6.723   0.733
  126   1HD2  ASN  17          HD21      ASN  17   4.566  -8.472   0.923
  127   2HD2  ASN  17          HD22      ASN  17   4.706  -9.912  -0.019
  128    H    ALA  18           HN       ALA  18   8.797  -5.149  -1.085
  129    HA   ALA  18           HA       ALA  18   8.533  -3.033   0.700
  130   1HB   ALA  18          HB1       ALA  18  10.722  -2.616   0.298
  131   2HB   ALA  18          HB2       ALA  18  10.543  -2.745  -1.452
  132   3HB   ALA  18          HB3       ALA  18  10.623  -4.204  -0.464
  133    H    SER  19           HN       SER  19   7.755  -3.096  -2.719
  134    HA   SER  19           HA       SER  19   7.920  -0.386  -3.342
  135   1HB   SER  19          HB2       SER  19   5.962  -2.461  -4.353
  136   2HB   SER  19          HB1       SER  19   6.183  -0.869  -5.077
  137    HG   SER  19           HG       SER  19   8.045  -2.999  -4.916
  138    H    CYS  20           HN       CYS  20   5.041  -2.139  -2.119
  139    HA   CYS  20           HA       CYS  20   3.452   0.211  -1.904
  140   1HB   CYS  20          HB2       CYS  20   3.133  -2.540  -0.708
  141   2HB   CYS  20          HB1       CYS  20   1.928  -1.263  -0.560
  142    H    ASP  21           HN       ASP  21   5.317  -1.665   0.446
  143    HA   ASP  21           HA       ASP  21   4.552  -0.417   2.799
  144   1HB   ASP  21          HB2       ASP  21   6.047  -2.429   2.549
  145   2HB   ASP  21          HB1       ASP  21   7.358  -1.331   2.127
  146    H    ASP  22           HN       ASP  22   7.520   0.356   0.960
  147    HA   ASP  22           HA       ASP  22   8.210   2.734   2.240
  148   1HB   ASP  22          HB2       ASP  22   9.619   1.522   0.564
  149   2HB   ASP  22          HB1       ASP  22   8.551   2.094  -0.711
  150    H    HIS  23           HN       HIS  23   6.354   2.261  -0.708
  151    HA   HIS  23           HA       HIS  23   5.582   4.792  -1.374
  152   1HB   HIS  23          HB2       HIS  23   4.935   3.127  -2.841
  153   2HB   HIS  23          HB1       HIS  23   4.317   2.092  -1.579
  154    HD1  HIS  23           HD1      HIS  23   3.209   5.605  -2.221
  155    HD2  HIS  23           HD2      HIS  23   1.814   1.766  -2.557
  156    HE1  HIS  23           HE1      HIS  23   0.756   5.820  -2.807
  157    HE2  HIS  23           HE2      HIS  23  -0.017   3.469  -3.132
  158    H    CYS  24           HN       CYS  24   3.506   2.658   0.586
  159    HA   CYS  24           HA       CYS  24   1.755   4.680   1.400
  160   1HB   CYS  24          HB2       CYS  24   2.434   1.998   2.564
  161   2HB   CYS  24          HB1       CYS  24   1.279   3.057   3.370
  162    H    LYS  25           HN       LYS  25   4.677   3.463   3.081
  163    HA   LYS  25           HA       LYS  25   4.436   5.040   5.380
  164   1HB   LYS  25          HB2       LYS  25   6.885   3.993   3.956
  165   2HB   LYS  25          HB1       LYS  25   6.969   4.846   5.494
  166   1HG   LYS  25          HG2       LYS  25   5.639   3.155   6.569
  167   2HG   LYS  25          HG1       LYS  25   5.369   2.336   5.030
  168   1HD   LYS  25          HD2       LYS  25   7.719   1.799   4.855
  169   2HD   LYS  25          HD1       LYS  25   8.072   2.728   6.314
  170   1HE   LYS  25          HE2       LYS  25   6.818   1.191   7.668
  171   2HE   LYS  25          HE1       LYS  25   6.236   0.338   6.238
  172   1HZ   LYS  25          HZ1       LYS  25   8.156  -0.712   7.488
  173   2HZ   LYS  25          HZ2       LYS  25   9.125   0.529   6.865
  174   3HZ   LYS  25          HZ3       LYS  25   8.337  -0.549   5.799
  175    H    ASN  26           HN       ASN  26   5.727   5.880   2.205
  176    HA   ASN  26           HA       ASN  26   6.537   8.526   3.106
  177   1HB   ASN  26          HB2       ASN  26   6.756   7.075   0.478
  178   2HB   ASN  26          HB1       ASN  26   7.257   8.732   0.679
  179   1HD2  ASN  26          HD21      ASN  26   8.361   5.829   0.458
  180   2HD2  ASN  26          HD22      ASN  26   9.780   5.956   1.425
  181    H    LYS  27           HN       LYS  27   4.052   7.119   0.968
  182    HA   LYS  27           HA       LYS  27   3.058   9.695   0.145
  183   1HB   LYS  27          HB2       LYS  27   1.846   6.940  -0.120
  184   2HB   LYS  27          HB1       LYS  27   1.197   8.390  -0.871
  185   1HG   LYS  27          HG2       LYS  27   3.923   7.235  -1.401
  186   2HG   LYS  27          HG1       LYS  27   2.492   6.985  -2.422
  187   1HD   LYS  27          HD2       LYS  27   2.384   9.411  -2.819
  188   2HD   LYS  27          HD1       LYS  27   3.815   9.640  -1.807
  189   1HE   LYS  27          HE2       LYS  27   4.347   9.627  -4.210
  190   2HE   LYS  27          HE1       LYS  27   5.151   8.325  -3.327
  191   1HZ   LYS  27          HZ1       LYS  27   4.105   6.792  -4.543
  192   2HZ   LYS  27          HZ2       LYS  27   3.641   8.037  -5.585
  193   3HZ   LYS  27          HZ3       LYS  27   2.580   7.521  -4.361
  194    H    ALA  28           HN       ALA  28   1.676   7.119   2.188
  195    HA   ALA  28           HA       ALA  28   0.248   9.184   3.704
  196   1HB   ALA  28          HB1       ALA  28  -1.036   6.586   2.865
  197   2HB   ALA  28          HB2       ALA  28  -1.297   8.131   2.052
  198   3HB   ALA  28          HB3       ALA  28  -1.787   7.925   3.732
  199    H    HIS  29           HN       HIS  29   1.839   8.942   5.213
  200    HA   HIS  29           HA       HIS  29   3.166   7.084   6.421
  201   1HB   HIS  29          HB2       HIS  29   3.124   9.429   7.142
  202   2HB   HIS  29          HB1       HIS  29   1.587   9.152   7.959
  203    HD1  HIS  29           HD1      HIS  29   5.017   7.492   8.078
  204    HD2  HIS  29           HD2      HIS  29   2.004   8.846  10.594
  205    HE1  HIS  29           HE1      HIS  29   5.838   7.032  10.413
  206    HE2  HIS  29           HE2      HIS  29   4.076   8.032  11.914
  207    H    LEU  30           HN       LEU  30   1.962   5.164   6.027
  208    HA   LEU  30           HA       LEU  30   0.086   4.434   8.180
  209   1HB   LEU  30          HB2       LEU  30   0.361   3.525   5.377
  210   2HB   LEU  30          HB1       LEU  30  -0.039   2.281   6.547
  211    HG   LEU  30           HG       LEU  30  -2.039   3.529   7.208
  212   1HD1  LEU  30          HD11      LEU  30  -2.768   5.495   6.170
  213   2HD1  LEU  30          HD12      LEU  30  -1.508   5.415   4.940
  214   3HD1  LEU  30          HD13      LEU  30  -1.086   5.789   6.612
  215   1HD2  LEU  30          HD21      LEU  30  -1.548   2.306   4.675
  216   2HD2  LEU  30          HD22      LEU  30  -2.775   3.559   4.504
  217   3HD2  LEU  30          HD23      LEU  30  -2.997   2.261   5.677
  218    H    ILE  31           HN       ILE  31   0.269   1.832   8.469
  219    HA   ILE  31           HA       ILE  31   2.839   1.482   9.710
  220    HB   ILE  31           HB       ILE  31   1.868  -0.622  10.600
  221   1HG1  ILE  31          HG12      ILE  31  -0.647   0.396   9.282
  222   2HG1  ILE  31          HG11      ILE  31   0.261  -1.040   8.820
  223   1HG2  ILE  31          HG21      ILE  31   1.800   1.634  11.707
  224   2HG2  ILE  31          HG22      ILE  31   0.611   0.463  12.271
  225   3HG2  ILE  31          HG23      ILE  31   0.126   1.753  11.171
  226   1HD1  ILE  31          HD11      ILE  31  -1.332  -2.020  10.089
  227   2HD1  ILE  31          HD12      ILE  31  -1.564  -0.593  11.097
  228   3HD1  ILE  31          HD13      ILE  31  -0.177  -1.648  11.366
  229    H    SER  32           HN       SER  32   0.990  -0.254   7.200
  230    HA   SER  32           HA       SER  32   3.501  -1.259   6.123
  231   1HB   SER  32          HB2       SER  32   1.319  -3.106   7.117
  232   2HB   SER  32          HB1       SER  32   2.668  -3.619   6.102
  233    HG   SER  32           HG       SER  32   3.905  -2.458   7.971
  234    H    GLY  33           HN       GLY  33   3.203  -2.454   4.035
  235   1HA   GLY  33          HA2       GLY  33   0.682  -1.955   2.646
  236   2HA   GLY  33          HA1       GLY  33   2.073  -1.050   2.066
  237    H    THR  34           HN       THR  34   0.270  -3.479   1.135
  238    HA   THR  34           HA       THR  34   2.553  -5.018   0.073
  239    HB   THR  34           HB       THR  34  -0.123  -6.085   0.987
  240    HG1  THR  34           HG1      THR  34   2.193  -5.792   2.233
  241   1HG2  THR  34          HG21      THR  34   0.644  -7.252  -1.063
  242   2HG2  THR  34          HG22      THR  34   0.570  -8.279   0.368
  243   3HG2  THR  34          HG23      THR  34   2.125  -7.683  -0.207
  244    H    CYS  35           HN       CYS  35   2.311  -5.921  -2.026
  245    HA   CYS  35           HA       CYS  35   0.683  -4.270  -3.780
  246   1HB   CYS  35          HB2       CYS  35   2.831  -6.316  -4.344
  247   2HB   CYS  35          HB1       CYS  35   1.946  -5.459  -5.605
  248    H    HIS  36           HN       HIS  36  -1.051  -4.865  -4.875
  249    HA   HIS  36           HA       HIS  36  -1.806  -7.717  -4.989
  250   1HB   HIS  36          HB2       HIS  36  -3.561  -5.359  -4.285
  251   2HB   HIS  36          HB1       HIS  36  -4.193  -6.947  -4.696
  252    HD1  HIS  36           HD1      HIS  36  -3.195  -8.924  -3.052
  253    HD2  HIS  36           HD2      HIS  36  -3.133  -5.024  -1.665
  254    HE1  HIS  36           HE1      HIS  36  -2.980  -9.110  -0.552
  255    HE2  HIS  36           HE2      HIS  36  -3.116  -6.733   0.283
  256    H    ASN  37           HN       ASN  37  -1.560  -8.145  -7.134
  257    HA   ASN  37           HA       ASN  37  -1.656  -7.907  -9.413
  258   1HB   ASN  37          HB2       ASN  37  -4.354  -6.770  -8.637
  259   2HB   ASN  37          HB1       ASN  37  -3.913  -7.294 -10.262
  260   1HD2  ASN  37          HD21      ASN  37  -4.710  -9.211 -10.737
  261   2HD2  ASN  37          HD22      ASN  37  -4.919 -10.526  -9.638
  262    H    TRP  38           HN       TRP  38   0.030  -6.108  -8.790
  263    HA   TRP  38           HA       TRP  38   1.035  -4.168  -9.414
  264   1HB   TRP  38          HB2       TRP  38  -1.323  -4.057 -11.286
  265   2HB   TRP  38          HB1       TRP  38  -0.088  -2.807 -11.259
  266    HD1  TRP  38           HD1      TRP  38   1.441  -3.084 -13.216
  267    HE1  TRP  38           HE1      TRP  38   2.537  -5.030 -14.495
  268    HE3  TRP  38           HE3      TRP  38  -0.558  -7.038 -10.634
  269    HZ2  TRP  38           HZ2      TRP  38   2.554  -7.829 -14.437
  270    HZ3  TRP  38           HZ3      TRP  38   0.055  -9.314 -11.320
  271    HH2  TRP  38           HH2      TRP  38   1.579  -9.702 -13.185
  272    H    LYS  39           HN       LYS  39  -1.551  -4.239  -7.480
  273    HA   LYS  39           HA       LYS  39  -1.737  -1.300  -7.251
  274   1HB   LYS  39          HB2       LYS  39  -3.748  -3.404  -6.437
  275   2HB   LYS  39          HB1       LYS  39  -3.952  -1.670  -6.229
  276   1HG   LYS  39          HG2       LYS  39  -3.946  -1.364  -8.642
  277   2HG   LYS  39          HG1       LYS  39  -3.668  -3.093  -8.872
  278   1HD   LYS  39          HD2       LYS  39  -5.806  -3.583  -7.784
  279   2HD   LYS  39          HD1       LYS  39  -6.086  -1.859  -7.547
  280   1HE   LYS  39          HE2       LYS  39  -6.050  -1.542  -9.991
  281   2HE   LYS  39          HE1       LYS  39  -5.834  -3.283 -10.193
  282   1HZ   LYS  39          HZ1       LYS  39  -8.187  -1.895  -9.026
  283   2HZ   LYS  39          HZ2       LYS  39  -7.967  -3.571  -8.967
  284   3HZ   LYS  39          HZ3       LYS  39  -8.135  -2.792 -10.459
  285    H    CYS  40           HN       CYS  40  -2.031  -0.443  -5.015
  286    HA   CYS  40           HA       CYS  40  -0.628  -2.121  -3.051
  287   1HB   CYS  40          HB2       CYS  40  -0.497   0.852  -3.532
  288   2HB   CYS  40          HB1       CYS  40  -0.049   0.145  -1.984
  289    H    PHE  41           HN       PHE  41  -1.776  -2.816  -1.440
  290    HA   PHE  41           HA       PHE  41  -4.036  -1.184  -0.451
  291   1HB   PHE  41          HB2       PHE  41  -3.707  -4.194  -0.268
  292   2HB   PHE  41          HB1       PHE  41  -5.061  -3.270   0.354
  293    HD1  PHE  41           HD1      PHE  41  -6.941  -3.839  -0.805
  294    HD2  PHE  41           HD2      PHE  41  -3.330  -3.235  -2.973
  295    HE1  PHE  41           HE1      PHE  41  -8.151  -4.185  -2.914
  296    HE2  PHE  41           HE2      PHE  41  -4.539  -3.576  -5.075
  297    HZ   PHE  41           HZ       PHE  41  -6.950  -4.047  -5.059
  298    H    CYS  42           HN       CYS  42  -3.329  -0.178   1.360
  299    HA   CYS  42           HA       CYS  42  -1.561  -1.687   3.153
  300   1HB   CYS  42          HB2       CYS  42  -1.926   1.276   2.746
  301   2HB   CYS  42          HB1       CYS  42  -0.974   0.579   4.053
  302    H    THR  43           HN       THR  43  -1.841  -1.326   5.482
  303    HA   THR  43           HA       THR  43  -4.699  -1.071   6.142
  304    HB   THR  43           HB       THR  43  -3.820  -3.277   6.624
  305    HG1  THR  43           HG1      THR  43  -4.456  -3.387   8.746
  306   1HG2  THR  43          HG21      THR  43  -1.659  -1.801   8.036
  307   2HG2  THR  43          HG22      THR  43  -1.566  -3.221   6.994
  308   3HG2  THR  43          HG23      THR  43  -2.176  -3.373   8.642
  309    H    GLN  44           HN       GLN  44  -5.409   0.255   7.685
  310    HA   GLN  44           HA       GLN  44  -3.450   1.814   9.214
  311   1HB   GLN  44          HB2       GLN  44  -4.070   3.103   7.220
  312   2HB   GLN  44          HB1       GLN  44  -5.770   2.947   7.636
  313   1HG   GLN  44          HG2       GLN  44  -5.375   4.246   9.676
  314   2HG   GLN  44          HG1       GLN  44  -3.676   4.406   9.241
  315   1HE2  GLN  44          HE21      GLN  44  -5.400   4.524   6.404
  316   2HE2  GLN  44          HE22      GLN  44  -5.580   6.233   6.275
  317    H    ASN  45           HN       ASN  45  -4.326   2.791  11.143
  318    HA   ASN  45           HA       ASN  45  -6.183   1.107  12.494
  319   1HB   ASN  45          HB2       ASN  45  -4.965   3.758  13.296
  320   2HB   ASN  45          HB1       ASN  45  -5.870   2.702  14.371
  321   1HD2  ASN  45          HD21      ASN  45  -4.282   0.552  12.527
  322   2HD2  ASN  45          HD22      ASN  45  -2.825   0.398  13.432
  323    H    CYS  46           HN       CYS  46  -8.322   1.272  12.636
  324    HA   CYS  46           HA       CYS  46  -9.666   3.837  12.390
  325   1HB   CYS  46          HB2       CYS  46 -11.219   2.994  10.652
  326   2HB   CYS  46          HB1       CYS  46  -9.568   3.132  10.058
  Start of MODEL   16
    1   1H    LYS   1          HT1       LYS   1  -8.434  -6.297  11.843
    2   2H    LYS   1          HT2       LYS   1 -10.019  -6.712  12.248
    3   3H    LYS   1          HT3       LYS   1  -8.767  -6.977  13.353
    4    HA   LYS   1           HA       LYS   1 -10.361  -4.672  12.981
    5   1HB   LYS   1          HB2       LYS   1  -8.112  -5.305  14.914
    6   2HB   LYS   1          HB1       LYS   1  -9.312  -4.035  15.117
    7   1HG   LYS   1          HG2       LYS   1 -11.083  -5.698  15.270
    8   2HG   LYS   1          HG1       LYS   1  -9.909  -6.991  15.015
    9   1HD   LYS   1          HD2       LYS   1  -8.756  -6.351  17.079
   10   2HD   LYS   1          HD1       LYS   1  -9.925  -5.053  17.331
   11   1HE   LYS   1          HE2       LYS   1 -11.724  -6.698  17.491
   12   2HE   LYS   1          HE1       LYS   1 -10.565  -8.001  17.216
   13   1HZ   LYS   1          HZ1       LYS   1 -11.302  -7.175  19.640
   14   2HZ   LYS   1          HZ2       LYS   1  -9.942  -6.195  19.413
   15   3HZ   LYS   1          HZ3       LYS   1  -9.795  -7.877  19.320
   16    H    THR   2           HN       THR   2  -9.137  -4.386  10.735
   17    HA   THR   2           HA       THR   2  -7.541  -1.999  11.043
   18    HB   THR   2           HB       THR   2  -5.702  -2.794   9.581
   19    HG1  THR   2           HG1      THR   2  -6.754  -4.548   8.599
   20   1HG2  THR   2          HG21      THR   2  -4.414  -3.851  11.178
   21   2HG2  THR   2          HG22      THR   2  -5.791  -4.707  11.868
   22   3HG2  THR   2          HG23      THR   2  -5.604  -2.976  12.145
   23    H    CYS   3           HN       CYS   3  -7.368  -0.776   9.100
   24    HA   CYS   3           HA       CYS   3  -9.310  -1.605   7.037
   25   1HB   CYS   3          HB2       CYS   3  -8.486   1.171   7.909
   26   2HB   CYS   3          HB1       CYS   3  -9.546   0.833   6.544
   27    H    GLU   4           HN       GLU   4  -8.712  -1.723   4.972
   28    HA   GLU   4           HA       GLU   4  -5.941  -1.010   4.309
   29   1HB   GLU   4          HB2       GLU   4  -6.106  -2.700   2.491
   30   2HB   GLU   4          HB1       GLU   4  -6.268  -3.385   4.100
   31   1HG   GLU   4          HG2       GLU   4  -8.657  -2.706   2.412
   32   2HG   GLU   4          HG1       GLU   4  -7.827  -4.249   2.277
   33    H    HIS   5           HN       HIS   5  -5.582   0.538   2.879
   34    HA   HIS   5           HA       HIS   5  -7.785   1.302   1.067
   35   1HB   HIS   5          HB2       HIS   5  -5.866   3.135   2.523
   36   2HB   HIS   5          HB1       HIS   5  -7.019   3.660   1.302
   37    HD1  HIS   5           HD1      HIS   5  -9.620   2.707   2.036
   38    HD2  HIS   5           HD2      HIS   5  -6.836   3.618   4.981
   39    HE1  HIS   5           HE1      HIS   5 -10.960   3.078   4.134
   40    HE2  HIS   5           HE2      HIS   5  -9.264   3.796   5.855
   41    H    LEU   6           HN       LEU   6  -7.288   1.768  -1.021
   42    HA   LEU   6           HA       LEU   6  -4.610   1.076  -1.940
   43   1HB   LEU   6          HB2       LEU   6  -6.312   0.003  -3.164
   44   2HB   LEU   6          HB1       LEU   6  -7.252   1.481  -3.323
   45    HG   LEU   6           HG       LEU   6  -5.476   2.379  -4.827
   46   1HD1  LEU   6          HD11      LEU   6  -4.019   0.493  -5.829
   47   2HD1  LEU   6          HD12      LEU   6  -4.300  -0.312  -4.284
   48   3HD1  LEU   6          HD13      LEU   6  -3.518   1.269  -4.329
   49   1HD2  LEU   6          HD21      LEU   6  -6.227   1.249  -6.724
   50   2HD2  LEU   6          HD22      LEU   6  -7.555   1.135  -5.569
   51   3HD2  LEU   6          HD23      LEU   6  -6.497  -0.251  -5.837
   52    H    ALA   7           HN       ALA   7  -3.143   2.532  -2.595
   53    HA   ALA   7           HA       ALA   7  -3.858   5.355  -2.520
   54   1HB   ALA   7          HB1       ALA   7  -1.351   3.805  -2.348
   55   2HB   ALA   7          HB2       ALA   7  -1.867   5.234  -1.455
   56   3HB   ALA   7          HB3       ALA   7  -1.231   5.402  -3.091
   57    H    ASP   8           HN       ASP   8  -4.018   6.678  -4.240
   58    HA   ASP   8           HA       ASP   8  -4.093   5.489  -6.869
   59   1HB   ASP   8          HB2       ASP   8  -4.686   8.303  -5.953
   60   2HB   ASP   8          HB1       ASP   8  -4.984   7.680  -7.572
   61    H    THR   9           HN       THR   9  -1.702   7.227  -5.111
   62    HA   THR   9           HA       THR   9  -0.361   7.987  -7.620
   63    HB   THR   9           HB       THR   9   1.063   9.469  -6.257
   64    HG1  THR   9           HG1      THR   9  -0.622   9.016  -4.051
   65   1HG2  THR   9          HG21      THR   9  -0.538  10.887  -6.909
   66   2HG2  THR   9          HG22      THR   9  -0.997  10.841  -5.207
   67   3HG2  THR   9          HG23      THR   9  -1.847   9.831  -6.376
   68    H    TYR  10           HN       TYR  10   0.018   5.602  -7.732
   69    HA   TYR  10           HA       TYR  10   2.355   4.793  -6.140
   70   1HB   TYR  10          HB2       TYR  10   0.346   3.357  -5.937
   71   2HB   TYR  10          HB1       TYR  10   0.380   3.067  -7.669
   72    HD1  TYR  10           HD1      TYR  10   0.853   0.820  -7.967
   73    HD2  TYR  10           HD2      TYR  10   3.128   3.053  -5.151
   74    HE1  TYR  10           HE1      TYR  10   2.351  -1.105  -7.655
   75    HE2  TYR  10           HE2      TYR  10   4.627   1.131  -4.829
   76    HH   TYR  10           HH       TYR  10   4.456  -1.385  -5.106
   77    H    ARG  11           HN       ARG  11   3.500   2.848  -7.778
   78    HA   ARG  11           HA       ARG  11   4.445   4.448 -10.025
   79   1HB   ARG  11          HB2       ARG  11   5.857   2.042  -8.921
   80   2HB   ARG  11          HB1       ARG  11   6.535   3.425  -9.763
   81   1HG   ARG  11          HG2       ARG  11   6.112   4.823  -7.785
   82   2HG   ARG  11          HG1       ARG  11   5.451   3.417  -6.943
   83   1HD   ARG  11          HD2       ARG  11   7.800   3.854  -6.324
   84   2HD   ARG  11          HD1       ARG  11   7.584   2.278  -7.090
   85    HE   ARG  11           HE       ARG  11   8.275   4.101  -9.088
   86   1HH1  ARG  11          HH11      ARG  11   9.752   2.700  -6.258
   87   2HH1  ARG  11          HH12      ARG  11  11.353   2.811  -6.897
   88   1HH2  ARG  11          HH21      ARG  11  10.355   4.248  -9.909
   89   2HH2  ARG  11          HH22      ARG  11  11.697   3.697  -8.969
   90    H    GLY  12           HN       GLY  12   2.062   2.602 -10.038
   91   1HA   GLY  12          HA2       GLY  12   1.227   1.515 -11.988
   92   2HA   GLY  12          HA1       GLY  12   2.878   1.064 -12.404
   93    H    VAL  13           HN       VAL  13   3.331  -1.030 -12.157
   94    HA   VAL  13           HA       VAL  13   1.532  -2.751 -10.671
   95    HB   VAL  13           HB       VAL  13   4.064  -3.499 -12.142
   96   1HG1  VAL  13          HG11      VAL  13   1.713  -5.144 -11.212
   97   2HG1  VAL  13          HG12      VAL  13   3.374  -5.232 -10.621
   98   3HG1  VAL  13          HG13      VAL  13   2.996  -5.731 -12.269
   99   1HG2  VAL  13          HG21      VAL  13   1.223  -3.318 -13.122
  100   2HG2  VAL  13          HG22      VAL  13   2.510  -4.168 -13.981
  101   3HG2  VAL  13          HG23      VAL  13   2.624  -2.428 -13.714
  102    H    CYS  14           HN       CYS  14   2.131  -4.125  -8.918
  103    HA   CYS  14           HA       CYS  14   4.520  -3.182  -7.438
  104   1HB   CYS  14          HB2       CYS  14   2.254  -2.789  -6.384
  105   2HB   CYS  14          HB1       CYS  14   2.095  -4.539  -6.244
  106    H    PHE  15           HN       PHE  15   6.146  -4.590  -7.189
  107    HA   PHE  15           HA       PHE  15   5.562  -7.448  -7.565
  108   1HB   PHE  15          HB2       PHE  15   8.159  -5.966  -8.026
  109   2HB   PHE  15          HB1       PHE  15   7.942  -7.705  -8.209
  110    HD1  PHE  15           HD1      PHE  15   6.299  -4.560  -9.402
  111    HD2  PHE  15           HD2      PHE  15   7.692  -8.470 -10.340
  112    HE1  PHE  15           HE1      PHE  15   5.624  -4.235 -11.742
  113    HE2  PHE  15           HE2      PHE  15   7.019  -8.150 -12.684
  114    HZ   PHE  15           HZ       PHE  15   5.984  -6.030 -13.389
  115    H    THR  16           HN       THR  16   8.011  -5.456  -5.887
  116    HA   THR  16           HA       THR  16   8.279  -7.525  -3.848
  117    HB   THR  16           HB       THR  16  10.210  -6.269  -3.060
  118    HG1  THR  16           HG1      THR  16   9.335  -4.313  -4.911
  119   1HG2  THR  16          HG21      THR  16  11.568  -6.094  -5.163
  120   2HG2  THR  16          HG22      THR  16  10.112  -6.551  -6.045
  121   3HG2  THR  16          HG23      THR  16  10.811  -7.658  -4.864
  122    H    ASN  17           HN       ASN  17   7.932  -7.211  -1.641
  123    HA   ASN  17           HA       ASN  17   5.719  -5.740  -0.864
  124   1HB   ASN  17          HB2       ASN  17   8.018  -6.669   0.878
  125   2HB   ASN  17          HB1       ASN  17   6.412  -6.221   1.444
  126   1HD2  ASN  17          HD21      ASN  17   8.302  -8.771   0.816
  127   2HD2  ASN  17          HD22      ASN  17   7.104  -9.951   0.425
  128    H    ALA  18           HN       ALA  18   9.139  -4.854  -0.727
  129    HA   ALA  18           HA       ALA  18   9.012  -2.511   0.769
  130   1HB   ALA  18          HB1       ALA  18  11.180  -3.077   0.371
  131   2HB   ALA  18          HB2       ALA  18  10.990  -1.884  -0.915
  132   3HB   ALA  18          HB3       ALA  18  10.857  -3.605  -1.281
  133    H    SER  19           HN       SER  19   8.226  -3.088  -2.612
  134    HA   SER  19           HA       SER  19   8.167  -0.493  -3.588
  135   1HB   SER  19          HB2       SER  19   6.340  -2.795  -4.332
  136   2HB   SER  19          HB1       SER  19   6.631  -1.353  -5.308
  137    HG   SER  19           HG       SER  19   8.992  -2.438  -4.655
  138    H    CYS  20           HN       CYS  20   5.577  -2.260  -1.857
  139    HA   CYS  20           HA       CYS  20   3.832   0.059  -1.989
  140   1HB   CYS  20          HB2       CYS  20   3.512  -2.663  -0.763
  141   2HB   CYS  20          HB1       CYS  20   2.339  -1.387  -0.519
  142    H    ASP  21           HN       ASP  21   5.758  -1.642   0.475
  143    HA   ASP  21           HA       ASP  21   4.863  -0.375   2.762
  144   1HB   ASP  21          HB2       ASP  21   6.568  -2.195   2.722
  145   2HB   ASP  21          HB1       ASP  21   7.758  -1.032   2.152
  146    H    ASP  22           HN       ASP  22   7.834   0.671   1.051
  147    HA   ASP  22           HA       ASP  22   8.208   3.147   2.207
  148   1HB   ASP  22          HB2       ASP  22   9.809   2.223   0.619
  149   2HB   ASP  22          HB1       ASP  22   8.632   2.325  -0.683
  150    H    HIS  23           HN       HIS  23   6.501   2.487  -0.791
  151    HA   HIS  23           HA       HIS  23   5.406   4.899  -1.422
  152   1HB   HIS  23          HB2       HIS  23   5.182   2.957  -2.815
  153   2HB   HIS  23          HB1       HIS  23   4.283   2.102  -1.589
  154    HD1  HIS  23           HD1      HIS  23   3.537   5.575  -2.889
  155    HD2  HIS  23           HD2      HIS  23   2.003   1.750  -2.959
  156    HE1  HIS  23           HE1      HIS  23   1.222   5.804  -3.859
  157    HE2  HIS  23           HE2      HIS  23   0.244   3.482  -3.733
  158    H    CYS  24           HN       CYS  24   3.884   2.448   0.654
  159    HA   CYS  24           HA       CYS  24   1.686   3.979   1.483
  160   1HB   CYS  24          HB2       CYS  24   3.188   1.726   2.798
  161   2HB   CYS  24          HB1       CYS  24   1.776   2.460   3.550
  162    H    LYS  25           HN       LYS  25   4.749   3.442   3.261
  163    HA   LYS  25           HA       LYS  25   4.294   5.168   5.378
  164   1HB   LYS  25          HB2       LYS  25   6.885   4.429   4.023
  165   2HB   LYS  25          HB1       LYS  25   6.808   5.342   5.523
  166   1HG   LYS  25          HG2       LYS  25   5.656   3.460   6.599
  167   2HG   LYS  25          HG1       LYS  25   5.764   2.547   5.091
  168   1HD   LYS  25          HD2       LYS  25   8.176   2.556   5.201
  169   2HD   LYS  25          HD1       LYS  25   8.145   3.616   6.612
  170   1HE   LYS  25          HE2       LYS  25   7.140   1.901   7.954
  171   2HE   LYS  25          HE1       LYS  25   6.937   0.853   6.556
  172   1HZ   LYS  25          HZ1       LYS  25   9.378   0.781   6.348
  173   2HZ   LYS  25          HZ2       LYS  25   8.838   0.145   7.818
  174   3HZ   LYS  25          HZ3       LYS  25   9.521   1.691   7.769
  175    H    ASN  26           HN       ASN  26   5.715   5.961   2.219
  176    HA   ASN  26           HA       ASN  26   6.078   8.726   2.966
  177   1HB   ASN  26          HB2       ASN  26   6.641   7.141   0.483
  178   2HB   ASN  26          HB1       ASN  26   6.808   8.880   0.497
  179   1HD2  ASN  26          HD21      ASN  26   8.518   6.305   0.561
  180   2HD2  ASN  26          HD22      ASN  26   9.811   6.794   1.593
  181    H    LYS  27           HN       LYS  27   3.700   6.945   1.019
  182    HA   LYS  27           HA       LYS  27   2.510   9.433   0.079
  183   1HB   LYS  27          HB2       LYS  27   1.705   6.550  -0.302
  184   2HB   LYS  27          HB1       LYS  27   0.788   7.902  -0.948
  185   1HG   LYS  27          HG2       LYS  27   3.649   7.253  -1.613
  186   2HG   LYS  27          HG1       LYS  27   2.245   6.875  -2.615
  187   1HD   LYS  27          HD2       LYS  27   1.740   9.305  -2.731
  188   2HD   LYS  27          HD1       LYS  27   3.228   9.624  -1.835
  189   1HE   LYS  27          HE2       LYS  27   4.519   8.544  -3.630
  190   2HE   LYS  27          HE1       LYS  27   3.025   8.266  -4.525
  191   1HZ   LYS  27          HZ1       LYS  27   4.291  10.872  -3.885
  192   2HZ   LYS  27          HZ2       LYS  27   2.700  10.747  -4.450
  193   3HZ   LYS  27          HZ3       LYS  27   3.984  10.214  -5.417
  194    H    ALA  28           HN       ALA  28   1.321   6.679   2.030
  195    HA   ALA  28           HA       ALA  28  -0.504   8.561   3.363
  196   1HB   ALA  28          HB1       ALA  28  -1.466   5.812   3.319
  197   2HB   ALA  28          HB2       ALA  28  -1.309   6.515   1.709
  198   3HB   ALA  28          HB3       ALA  28  -2.303   7.315   2.926
  199    H    HIS  29           HN       HIS  29   1.038   8.811   4.923
  200    HA   HIS  29           HA       HIS  29   2.597   7.406   6.459
  201   1HB   HIS  29          HB2       HIS  29   2.082   9.785   6.783
  202   2HB   HIS  29          HB1       HIS  29   0.564   9.359   7.558
  203    HD1  HIS  29           HD1      HIS  29   1.233   7.464   9.688
  204    HD2  HIS  29           HD2      HIS  29   3.775  10.578   8.664
  205    HE1  HIS  29           HE1      HIS  29   2.644   7.882  11.740
  206    HE2  HIS  29           HE2      HIS  29   4.077   9.871  11.136
  207    H    LEU  30           HN       LEU  30   1.638   5.267   6.215
  208    HA   LEU  30           HA       LEU  30  -0.058   4.550   8.522
  209   1HB   LEU  30          HB2       LEU  30  -0.027   3.561   5.719
  210   2HB   LEU  30          HB1       LEU  30  -0.357   2.386   6.979
  211    HG   LEU  30           HG       LEU  30  -2.305   3.630   7.699
  212   1HD1  LEU  30          HD11      LEU  30  -3.025   5.657   6.802
  213   2HD1  LEU  30          HD12      LEU  30  -1.909   5.561   5.443
  214   3HD1  LEU  30          HD13      LEU  30  -1.300   5.890   7.062
  215   1HD2  LEU  30          HD21      LEU  30  -2.666   3.630   4.760
  216   2HD2  LEU  30          HD22      LEU  30  -3.659   2.909   6.027
  217   3HD2  LEU  30          HD23      LEU  30  -2.165   2.121   5.525
  218    H    ILE  31           HN       ILE  31   0.288   1.943   8.823
  219    HA   ILE  31           HA       ILE  31   2.960   1.752   9.823
  220    HB   ILE  31           HB       ILE  31   2.259  -0.417  10.726
  221   1HG1  ILE  31          HG12      ILE  31  -0.395   0.244   9.446
  222   2HG1  ILE  31          HG11      ILE  31   0.695  -1.058   8.978
  223   1HG2  ILE  31          HG21      ILE  31   1.959   1.346  12.205
  224   2HG2  ILE  31          HG22      ILE  31   0.377   0.568  12.177
  225   3HG2  ILE  31          HG23      ILE  31   0.649   2.046  11.253
  226   1HD1  ILE  31          HD11      ILE  31  -0.744  -0.805  11.606
  227   2HD1  ILE  31          HD12      ILE  31   0.375  -2.097  11.170
  228   3HD1  ILE  31          HD13      ILE  31  -1.143  -1.913  10.293
  229    H    SER  32           HN       SER  32   1.114  -0.059   7.357
  230    HA   SER  32           HA       SER  32   3.537  -0.608   5.922
  231   1HB   SER  32          HB2       SER  32   3.440  -3.072   6.106
  232   2HB   SER  32          HB1       SER  32   3.753  -2.301   7.660
  233    HG   SER  32           HG       SER  32   1.313  -3.419   6.731
  234    H    GLY  33           HN       GLY  33   3.180  -2.067   4.017
  235   1HA   GLY  33          HA2       GLY  33   0.444  -2.391   3.078
  236   2HA   GLY  33          HA1       GLY  33   1.387  -1.189   2.207
  237    H    THR  34           HN       THR  34   0.302  -3.716   1.156
  238    HA   THR  34           HA       THR  34   2.858  -4.921   0.318
  239    HB   THR  34           HB       THR  34   1.900  -6.480   1.869
  240    HG1  THR  34           HG1      THR  34   1.117  -8.023  -0.124
  241   1HG2  THR  34          HG21      THR  34  -0.623  -6.168   0.281
  242   2HG2  THR  34          HG22      THR  34  -0.373  -5.968   2.017
  243   3HG2  THR  34          HG23      THR  34  -0.310  -7.575   1.292
  244    H    CYS  35           HN       CYS  35   2.498  -6.438  -1.636
  245    HA   CYS  35           HA       CYS  35   1.328  -4.821  -3.732
  246   1HB   CYS  35          HB2       CYS  35   2.791  -7.464  -3.851
  247   2HB   CYS  35          HB1       CYS  35   2.256  -6.560  -5.264
  248    H    HIS  36           HN       HIS  36  -0.682  -5.022  -4.447
  249    HA   HIS  36           HA       HIS  36  -2.036  -7.618  -4.122
  250   1HB   HIS  36          HB2       HIS  36  -3.142  -4.807  -4.199
  251   2HB   HIS  36          HB1       HIS  36  -4.160  -6.237  -4.351
  252    HD1  HIS  36           HD1      HIS  36  -3.917  -7.979  -2.258
  253    HD2  HIS  36           HD2      HIS  36  -2.662  -4.075  -1.626
  254    HE1  HIS  36           HE1      HIS  36  -3.767  -7.721   0.241
  255    HE2  HIS  36           HE2      HIS  36  -3.114  -5.316   0.603
  256    H    ASN  37           HN       ASN  37  -4.144  -6.758  -6.043
  257    HA   ASN  37           HA       ASN  37  -3.039  -7.876  -8.359
  258   1HB   ASN  37          HB2       ASN  37  -5.580  -6.252  -8.080
  259   2HB   ASN  37          HB1       ASN  37  -5.155  -7.250  -9.471
  260   1HD2  ASN  37          HD21      ASN  37  -7.069  -7.203  -6.898
  261   2HD2  ASN  37          HD22      ASN  37  -7.151  -8.887  -6.531
  262    H    TRP  38           HN       TRP  38  -1.120  -6.540  -8.556
  263    HA   TRP  38           HA       TRP  38   0.154  -4.961  -9.598
  264   1HB   TRP  38          HB2       TRP  38  -2.373  -4.746 -11.216
  265   2HB   TRP  38          HB1       TRP  38  -0.978  -3.736 -11.562
  266    HD1  TRP  38           HD1      TRP  38   0.159  -4.636 -13.623
  267    HE1  TRP  38           HE1      TRP  38   0.811  -6.939 -14.552
  268    HE3  TRP  38           HE3      TRP  38  -1.886  -7.618  -9.990
  269    HZ2  TRP  38           HZ2      TRP  38   0.506  -9.640 -13.859
  270    HZ3  TRP  38           HZ3      TRP  38  -1.655 -10.049 -10.209
  271    HH2  TRP  38           HH2      TRP  38  -0.487 -11.042 -12.106
  272    H    LYS  39           HN       LYS  39  -1.467  -4.255  -7.233
  273    HA   LYS  39           HA       LYS  39  -1.318  -1.344  -7.529
  274   1HB   LYS  39          HB2       LYS  39  -3.666  -2.868  -6.404
  275   2HB   LYS  39          HB1       LYS  39  -3.464  -1.129  -6.276
  276   1HG   LYS  39          HG2       LYS  39  -3.551  -0.938  -8.706
  277   2HG   LYS  39          HG1       LYS  39  -3.730  -2.691  -8.836
  278   1HD   LYS  39          HD2       LYS  39  -5.820  -2.581  -7.584
  279   2HD   LYS  39          HD1       LYS  39  -5.637  -0.836  -7.411
  280   1HE   LYS  39          HE2       LYS  39  -5.741  -0.604  -9.859
  281   2HE   LYS  39          HE1       LYS  39  -5.981  -2.348  -9.998
  282   1HZ   LYS  39          HZ1       LYS  39  -7.802  -0.557  -8.472
  283   2HZ   LYS  39          HZ2       LYS  39  -8.060  -2.183  -8.865
  284   3HZ   LYS  39          HZ3       LYS  39  -8.066  -1.009 -10.082
  285    H    CYS  40           HN       CYS  40  -1.656  -0.276  -5.268
  286    HA   CYS  40           HA       CYS  40  -0.296  -1.900  -3.229
  287   1HB   CYS  40          HB2       CYS  40   0.245   0.887  -4.139
  288   2HB   CYS  40          HB1       CYS  40   0.489   0.490  -2.443
  289    H    PHE  41           HN       PHE  41  -1.540  -2.286  -1.574
  290    HA   PHE  41           HA       PHE  41  -3.531  -0.268  -0.774
  291   1HB   PHE  41          HB2       PHE  41  -3.538  -3.255  -0.287
  292   2HB   PHE  41          HB1       PHE  41  -4.736  -2.130   0.345
  293    HD1  PHE  41           HD1      PHE  41  -3.193  -2.650  -3.037
  294    HD2  PHE  41           HD2      PHE  41  -6.735  -2.388  -0.695
  295    HE1  PHE  41           HE1      PHE  41  -4.554  -2.940  -5.062
  296    HE2  PHE  41           HE2      PHE  41  -8.100  -2.677  -2.720
  297    HZ   PHE  41           HZ       PHE  41  -7.008  -2.955  -4.908
  298    H    CYS  42           HN       CYS  42  -3.329   0.646   1.174
  299    HA   CYS  42           HA       CYS  42  -1.183  -0.364   2.917
  300   1HB   CYS  42          HB2       CYS  42  -2.444   2.388   2.831
  301   2HB   CYS  42          HB1       CYS  42  -1.017   1.909   3.737
  302    H    THR  43           HN       THR  43  -1.545  -0.590   5.151
  303    HA   THR  43           HA       THR  43  -4.377  -0.778   5.893
  304    HB   THR  43           HB       THR  43  -3.514  -2.309   7.686
  305    HG1  THR  43           HG1      THR  43  -1.453  -2.495   7.936
  306   1HG2  THR  43          HG21      THR  43  -4.297  -3.708   6.120
  307   2HG2  THR  43          HG22      THR  43  -2.584  -4.039   5.860
  308   3HG2  THR  43          HG23      THR  43  -3.430  -2.898   4.815
  309    H    GLN  44           HN       GLN  44  -5.196   0.265   7.594
  310    HA   GLN  44           HA       GLN  44  -3.361   1.791   9.321
  311   1HB   GLN  44          HB2       GLN  44  -4.369   3.272   7.617
  312   2HB   GLN  44          HB1       GLN  44  -5.969   2.800   8.166
  313   1HG   GLN  44          HG2       GLN  44  -5.561   3.808  10.329
  314   2HG   GLN  44          HG1       GLN  44  -3.913   4.214   9.853
  315   1HE2  GLN  44          HE21      GLN  44  -3.629   6.231   9.209
  316   2HE2  GLN  44          HE22      GLN  44  -4.839   7.257   8.528
  317    H    ASN  45           HN       ASN  45  -4.034   2.129  11.439
  318    HA   ASN  45           HA       ASN  45  -5.539   0.053  12.616
  319   1HB   ASN  45          HB2       ASN  45  -4.634   2.688  13.808
  320   2HB   ASN  45          HB1       ASN  45  -5.185   1.285  14.718
  321   1HD2  ASN  45          HD21      ASN  45  -2.523   2.908  13.869
  322   2HD2  ASN  45          HD22      ASN  45  -1.365   1.629  13.890
  323    H    CYS  46           HN       CYS  46  -7.686  -0.148  12.785
  324    HA   CYS  46           HA       CYS  46  -9.345   2.165  13.350
  325   1HB   CYS  46          HB2       CYS  46 -10.917   1.735  11.509
  326   2HB   CYS  46          HB1       CYS  46  -9.315   2.154  10.900
  Start of MODEL   17
    1   1H    LYS   1          HT1       LYS   1 -10.059  -4.824  15.009
    2   2H    LYS   1          HT2       LYS   1  -8.410  -4.462  15.093
    3   3H    LYS   1          HT3       LYS   1  -8.934  -6.061  15.268
    4    HA   LYS   1           HA       LYS   1  -8.367  -6.233  13.115
    5   1HB   LYS   1          HB2       LYS   1 -11.027  -4.781  12.957
    6   2HB   LYS   1          HB1       LYS   1 -10.313  -5.692  11.635
    7   1HG   LYS   1          HG2       LYS   1 -10.453  -7.742  12.936
    8   2HG   LYS   1          HG1       LYS   1 -11.118  -6.845  14.304
    9   1HD   LYS   1          HD2       LYS   1 -13.065  -6.225  12.960
   10   2HD   LYS   1          HD1       LYS   1 -12.393  -7.086  11.575
   11   1HE   LYS   1          HE2       LYS   1 -12.530  -9.192  12.794
   12   2HE   LYS   1          HE1       LYS   1 -13.140  -8.346  14.217
   13   1HZ   LYS   1          HZ1       LYS   1 -15.177  -7.954  13.219
   14   2HZ   LYS   1          HZ2       LYS   1 -14.803  -9.491  12.619
   15   3HZ   LYS   1          HZ3       LYS   1 -14.578  -8.126  11.645
   16    H    THR   2           HN       THR   2  -8.589  -4.932  10.795
   17    HA   THR   2           HA       THR   2  -7.729  -2.163  11.148
   18    HB   THR   2           HB       THR   2  -5.751  -2.502   9.681
   19    HG1  THR   2           HG1      THR   2  -6.246  -5.260  10.100
   20   1HG2  THR   2          HG21      THR   2  -4.318  -2.992  11.341
   21   2HG2  THR   2          HG22      THR   2  -5.211  -4.426  11.846
   22   3HG2  THR   2          HG23      THR   2  -5.773  -2.826  12.327
   23    H    CYS   3           HN       CYS   3  -7.480  -1.026   9.022
   24    HA   CYS   3           HA       CYS   3  -9.453  -2.085   7.097
   25   1HB   CYS   3          HB2       CYS   3  -8.722   0.777   7.734
   26   2HB   CYS   3          HB1       CYS   3  -9.825   0.295   6.450
   27    H    GLU   4           HN       GLU   4  -9.145  -1.489   4.836
   28    HA   GLU   4           HA       GLU   4  -6.290  -1.457   4.129
   29   1HB   GLU   4          HB2       GLU   4  -8.684  -2.579   2.679
   30   2HB   GLU   4          HB1       GLU   4  -7.108  -2.395   1.921
   31   1HG   GLU   4          HG2       GLU   4  -7.662  -4.045   4.378
   32   2HG   GLU   4          HG1       GLU   4  -7.526  -4.675   2.740
   33    H    HIS   5           HN       HIS   5  -5.466   0.211   3.085
   34    HA   HIS   5           HA       HIS   5  -7.324   2.040   1.700
   35   1HB   HIS   5          HB2       HIS   5  -4.901   2.791   3.348
   36   2HB   HIS   5          HB1       HIS   5  -5.864   3.919   2.397
   37    HD1  HIS   5           HD1      HIS   5  -6.425   1.435   5.228
   38    HD2  HIS   5           HD2      HIS   5  -7.842   5.073   3.819
   39    HE1  HIS   5           HE1      HIS   5  -8.150   2.181   6.903
   40    HE2  HIS   5           HE2      HIS   5  -9.084   4.320   5.960
   41    H    LEU   6           HN       LEU   6  -6.994   1.692  -0.390
   42    HA   LEU   6           HA       LEU   6  -4.392   1.044  -1.450
   43   1HB   LEU   6          HB2       LEU   6  -6.130  -0.062  -2.544
   44   2HB   LEU   6          HB1       LEU   6  -7.126   1.386  -2.643
   45    HG   LEU   6           HG       LEU   6  -5.478   2.292  -4.305
   46   1HD1  LEU   6          HD11      LEU   6  -4.327  -0.032  -5.266
   47   2HD1  LEU   6          HD12      LEU   6  -4.079  -0.110  -3.523
   48   3HD1  LEU   6          HD13      LEU   6  -3.506   1.288  -4.436
   49   1HD2  LEU   6          HD21      LEU   6  -6.189   0.020  -5.805
   50   2HD2  LEU   6          HD22      LEU   6  -7.019   1.573  -5.719
   51   3HD2  LEU   6          HD23      LEU   6  -7.466   0.269  -4.617
   52    H    ALA   7           HN       ALA   7  -3.008   2.344  -2.493
   53    HA   ALA   7           HA       ALA   7  -3.552   5.210  -2.423
   54   1HB   ALA   7          HB1       ALA   7  -1.095   3.538  -2.666
   55   2HB   ALA   7          HB2       ALA   7  -1.450   4.867  -1.564
   56   3HB   ALA   7          HB3       ALA   7  -1.060   5.203  -3.252
   57    H    ASP   8           HN       ASP   8  -3.791   6.490  -4.185
   58    HA   ASP   8           HA       ASP   8  -4.257   5.188  -6.740
   59   1HB   ASP   8          HB2       ASP   8  -4.681   8.048  -5.864
   60   2HB   ASP   8          HB1       ASP   8  -5.185   7.375  -7.410
   61    H    THR   9           HN       THR   9  -1.764   7.140  -5.300
   62    HA   THR   9           HA       THR   9  -0.586   7.634  -7.947
   63    HB   THR   9           HB       THR   9   0.896   9.266  -6.791
   64    HG1  THR   9           HG1      THR   9   0.876   8.502  -4.708
   65   1HG2  THR   9          HG21      THR   9  -2.006   9.842  -6.267
   66   2HG2  THR   9          HG22      THR   9  -1.182  10.075  -7.808
   67   3HG2  THR   9          HG23      THR   9  -0.698  11.016  -6.397
   68    H    TYR  10           HN       TYR  10  -0.039   5.330  -7.920
   69    HA   TYR  10           HA       TYR  10   2.321   4.724  -6.269
   70   1HB   TYR  10          HB2       TYR  10   0.426   3.164  -6.035
   71   2HB   TYR  10          HB1       TYR  10   0.472   2.832  -7.759
   72    HD1  TYR  10           HD1      TYR  10   1.142   0.656  -8.091
   73    HD2  TYR  10           HD2      TYR  10   3.166   2.992  -5.166
   74    HE1  TYR  10           HE1      TYR  10   2.744  -1.174  -7.738
   75    HE2  TYR  10           HE2      TYR  10   4.765   1.157  -4.802
   76    HH   TYR  10           HH       TYR  10   4.569  -1.575  -5.221
   77    H    ARG  11           HN       ARG  11   3.649   2.824  -7.783
   78    HA   ARG  11           HA       ARG  11   4.573   4.407 -10.048
   79   1HB   ARG  11          HB2       ARG  11   6.073   2.136  -8.778
   80   2HB   ARG  11          HB1       ARG  11   6.713   3.521  -9.647
   81   1HG   ARG  11          HG2       ARG  11   6.015   4.970  -7.751
   82   2HG   ARG  11          HG1       ARG  11   5.520   3.519  -6.877
   83   1HD   ARG  11          HD2       ARG  11   8.312   4.094  -7.880
   84   2HD   ARG  11          HD1       ARG  11   7.763   4.285  -6.214
   85    HE   ARG  11           HE       ARG  11   7.213   1.666  -6.906
   86   1HH1  ARG  11          HH11      ARG  11  10.047   3.659  -6.679
   87   2HH1  ARG  11          HH12      ARG  11  11.097   2.347  -6.284
   88   1HH2  ARG  11          HH21      ARG  11   8.590  -0.062  -6.387
   89   2HH2  ARG  11          HH22      ARG  11  10.268   0.238  -6.105
   90    H    GLY  12           HN       GLY  12   2.288   2.606 -10.384
   91   1HA   GLY  12          HA2       GLY  12   1.732   1.391 -12.345
   92   2HA   GLY  12          HA1       GLY  12   3.427   0.944 -12.515
   93    H    VAL  13           HN       VAL  13   3.582  -1.213 -12.408
   94    HA   VAL  13           HA       VAL  13   1.706  -2.836 -10.951
   95    HB   VAL  13           HB       VAL  13   4.344  -3.694 -12.158
   96   1HG1  VAL  13          HG11      VAL  13   1.865  -5.244 -11.423
   97   2HG1  VAL  13          HG12      VAL  13   3.459  -5.366 -10.676
   98   3HG1  VAL  13          HG13      VAL  13   3.221  -5.898 -12.340
   99   1HG2  VAL  13          HG21      VAL  13   1.640  -3.360 -13.420
  100   2HG2  VAL  13          HG22      VAL  13   2.873  -4.428 -14.094
  101   3HG2  VAL  13          HG23      VAL  13   3.188  -2.698 -13.944
  102    H    CYS  14           HN       CYS  14   2.138  -4.141  -9.087
  103    HA   CYS  14           HA       CYS  14   4.347  -3.096  -7.431
  104   1HB   CYS  14          HB2       CYS  14   1.950  -2.975  -6.579
  105   2HB   CYS  14          HB1       CYS  14   1.999  -4.734  -6.457
  106    H    PHE  15           HN       PHE  15   6.107  -4.331  -7.274
  107    HA   PHE  15           HA       PHE  15   5.867  -7.193  -7.846
  108   1HB   PHE  15          HB2       PHE  15   8.319  -5.422  -7.812
  109   2HB   PHE  15          HB1       PHE  15   8.317  -7.142  -8.200
  110    HD1  PHE  15           HD1      PHE  15   6.460  -4.064  -9.267
  111    HD2  PHE  15           HD2      PHE  15   8.425  -7.661 -10.416
  112    HE1  PHE  15           HE1      PHE  15   6.030  -3.539 -11.628
  113    HE2  PHE  15           HE2      PHE  15   7.999  -7.139 -12.783
  114    HZ   PHE  15           HZ       PHE  15   6.801  -5.077 -13.392
  115    H    THR  16           HN       THR  16   8.032  -5.291  -5.718
  116    HA   THR  16           HA       THR  16   7.933  -7.511  -3.798
  117    HB   THR  16           HB       THR  16   9.973  -6.502  -2.835
  118    HG1  THR  16           HG1      THR  16  10.827  -4.673  -3.642
  119   1HG2  THR  16          HG21      THR  16  11.327  -6.518  -5.134
  120   2HG2  THR  16          HG22      THR  16   9.845  -7.311  -5.668
  121   3HG2  THR  16          HG23      THR  16  10.773  -7.986  -4.329
  122    H    ASN  17           HN       ASN  17   7.391  -7.223  -1.619
  123    HA   ASN  17           HA       ASN  17   5.403  -5.476  -0.922
  124   1HB   ASN  17          HB2       ASN  17   7.528  -6.614   0.915
  125   2HB   ASN  17          HB1       ASN  17   5.985  -5.944   1.433
  126   1HD2  ASN  17          HD21      ASN  17   4.593  -7.468   1.963
  127   2HD2  ASN  17          HD22      ASN  17   4.427  -9.003   1.191
  128    H    ALA  18           HN       ALA  18   8.892  -5.011  -0.374
  129    HA   ALA  18           HA       ALA  18   9.010  -2.654   0.975
  130   1HB   ALA  18          HB1       ALA  18  10.919  -2.380  -1.086
  131   2HB   ALA  18          HB2       ALA  18  10.757  -4.107  -0.771
  132   3HB   ALA  18          HB3       ALA  18  11.166  -3.006   0.544
  133    H    SER  19           HN       SER  19   8.243  -3.073  -2.455
  134    HA   SER  19           HA       SER  19   8.364  -0.447  -3.337
  135   1HB   SER  19          HB2       SER  19   6.825  -1.094  -5.103
  136   2HB   SER  19          HB1       SER  19   7.938  -2.427  -4.796
  137    HG   SER  19           HG       SER  19   6.339  -3.539  -3.749
  138    H    CYS  20           HN       CYS  20   5.453  -2.141  -2.101
  139    HA   CYS  20           HA       CYS  20   3.904   0.253  -1.986
  140   1HB   CYS  20          HB2       CYS  20   3.457  -2.490  -0.829
  141   2HB   CYS  20          HB1       CYS  20   2.315  -1.173  -0.640
  142    H    ASP  21           HN       ASP  21   5.659  -1.660   0.460
  143    HA   ASP  21           HA       ASP  21   4.717  -0.453   2.755
  144   1HB   ASP  21          HB2       ASP  21   6.374  -2.367   2.599
  145   2HB   ASP  21          HB1       ASP  21   7.632  -1.153   2.360
  146    H    ASP  22           HN       ASP  22   7.731   0.549   1.107
  147    HA   ASP  22           HA       ASP  22   8.196   2.943   2.452
  148   1HB   ASP  22          HB2       ASP  22   9.777   1.898   0.856
  149   2HB   ASP  22          HB1       ASP  22   8.705   2.314  -0.475
  150    H    HIS  23           HN       HIS  23   6.520   2.402  -0.577
  151    HA   HIS  23           HA       HIS  23   5.586   4.901  -1.224
  152   1HB   HIS  23          HB2       HIS  23   5.362   2.983  -2.664
  153   2HB   HIS  23          HB1       HIS  23   4.349   2.162  -1.510
  154    HD1  HIS  23           HD1      HIS  23   3.872   5.669  -2.902
  155    HD2  HIS  23           HD2      HIS  23   2.102   1.932  -2.948
  156    HE1  HIS  23           HE1      HIS  23   1.642   5.981  -4.029
  157    HE2  HIS  23           HE2      HIS  23   0.528   3.732  -3.901
  158    H    CYS  24           HN       CYS  24   3.876   2.470   0.735
  159    HA   CYS  24           HA       CYS  24   1.669   4.009   1.451
  160   1HB   CYS  24          HB2       CYS  24   3.118   1.830   2.949
  161   2HB   CYS  24          HB1       CYS  24   1.628   2.558   3.538
  162    H    LYS  25           HN       LYS  25   4.623   3.552   3.427
  163    HA   LYS  25           HA       LYS  25   4.002   5.350   5.444
  164   1HB   LYS  25          HB2       LYS  25   6.694   4.576   4.321
  165   2HB   LYS  25          HB1       LYS  25   6.489   5.511   5.797
  166   1HG   LYS  25          HG2       LYS  25   5.264   3.658   6.809
  167   2HG   LYS  25          HG1       LYS  25   5.443   2.727   5.321
  168   1HD   LYS  25          HD2       LYS  25   7.845   2.671   5.589
  169   2HD   LYS  25          HD1       LYS  25   7.749   3.746   6.985
  170   1HE   LYS  25          HE2       LYS  25   8.072   1.386   7.624
  171   2HE   LYS  25          HE1       LYS  25   6.571   2.065   8.255
  172   1HZ   LYS  25          HZ1       LYS  25   5.388   0.516   7.191
  173   2HZ   LYS  25          HZ2       LYS  25   6.852  -0.247   6.765
  174   3HZ   LYS  25          HZ3       LYS  25   6.150   0.864   5.709
  175    H    ASN  26           HN       ASN  26   5.616   6.008   2.360
  176    HA   ASN  26           HA       ASN  26   6.024   8.778   3.014
  177   1HB   ASN  26          HB2       ASN  26   6.492   7.176   0.505
  178   2HB   ASN  26          HB1       ASN  26   6.883   8.873   0.644
  179   1HD2  ASN  26          HD21      ASN  26   8.176   6.041   0.658
  180   2HD2  ASN  26          HD22      ASN  26   9.512   6.306   1.712
  181    H    LYS  27           HN       LYS  27   3.685   7.009   1.009
  182    HA   LYS  27           HA       LYS  27   2.542   9.511   0.058
  183   1HB   LYS  27          HB2       LYS  27   1.791   6.633  -0.437
  184   2HB   LYS  27          HB1       LYS  27   0.918   7.996  -1.125
  185   1HG   LYS  27          HG2       LYS  27   3.827   7.367  -1.579
  186   2HG   LYS  27          HG1       LYS  27   2.510   7.023  -2.703
  187   1HD   LYS  27          HD2       LYS  27   2.017   9.463  -2.777
  188   2HD   LYS  27          HD1       LYS  27   3.436   9.743  -1.765
  189   1HE   LYS  27          HE2       LYS  27   4.829   8.646  -3.511
  190   2HE   LYS  27          HE1       LYS  27   3.393   8.528  -4.530
  191   1HZ   LYS  27          HZ1       LYS  27   3.214  11.003  -4.341
  192   2HZ   LYS  27          HZ2       LYS  27   4.579  10.467  -5.188
  193   3HZ   LYS  27          HZ3       LYS  27   4.733  11.007  -3.592
  194    H    ALA  28           HN       ALA  28   1.237   6.715   1.875
  195    HA   ALA  28           HA       ALA  28  -0.674   8.573   3.120
  196   1HB   ALA  28          HB1       ALA  28  -1.800   6.016   3.284
  197   2HB   ALA  28          HB2       ALA  28  -1.195   6.163   1.634
  198   3HB   ALA  28          HB3       ALA  28  -2.329   7.357   2.266
  199    H    HIS  29           HN       HIS  29   0.809   8.890   4.732
  200    HA   HIS  29           HA       HIS  29   2.364   7.567   6.323
  201   1HB   HIS  29          HB2       HIS  29   1.696   9.920   6.637
  202   2HB   HIS  29          HB1       HIS  29   0.201   9.382   7.399
  203    HD1  HIS  29           HD1      HIS  29   3.929   8.795   7.978
  204    HD2  HIS  29           HD2      HIS  29   0.403   9.450  10.075
  205    HE1  HIS  29           HE1      HIS  29   4.595   8.876  10.405
  206    HE2  HIS  29           HE2      HIS  29   2.464   9.424  11.636
  207    H    LEU  30           HN       LEU  30   1.563   5.394   6.077
  208    HA   LEU  30           HA       LEU  30  -0.130   4.564   8.345
  209   1HB   LEU  30          HB2       LEU  30  -0.074   3.648   5.523
  210   2HB   LEU  30          HB1       LEU  30  -0.303   2.411   6.746
  211    HG   LEU  30           HG       LEU  30  -2.316   3.503   7.541
  212   1HD1  LEU  30          HD11      LEU  30  -3.208   5.487   6.672
  213   2HD1  LEU  30          HD12      LEU  30  -2.059   5.523   5.336
  214   3HD1  LEU  30          HD13      LEU  30  -1.511   5.842   6.980
  215   1HD2  LEU  30          HD21      LEU  30  -2.740   3.548   4.613
  216   2HD2  LEU  30          HD22      LEU  30  -3.646   2.724   5.882
  217   3HD2  LEU  30          HD23      LEU  30  -2.111   2.062   5.326
  218    H    ILE  31           HN       ILE  31   0.352   1.947   8.551
  219    HA   ILE  31           HA       ILE  31   3.084   1.900   9.443
  220    HB   ILE  31           HB       ILE  31   2.498  -0.233  10.515
  221   1HG1  ILE  31          HG12      ILE  31  -0.245   0.315   9.389
  222   2HG1  ILE  31          HG11      ILE  31   0.814  -1.037   8.995
  223   1HG2  ILE  31          HG21      ILE  31   1.005   0.726  12.188
  224   2HG2  ILE  31          HG22      ILE  31   0.624   2.048  11.085
  225   3HG2  ILE  31          HG23      ILE  31   2.263   1.866  11.711
  226   1HD1  ILE  31          HD11      ILE  31  -0.638  -1.994  10.492
  227   2HD1  ILE  31          HD12      ILE  31  -0.777  -0.530  11.458
  228   3HD1  ILE  31          HD13      ILE  31   0.683  -1.515  11.551
  229    H    SER  32           HN       SER  32   1.108  -0.190   7.285
  230    HA   SER  32           HA       SER  32   3.499  -0.700   5.717
  231   1HB   SER  32          HB2       SER  32   2.070  -2.968   7.118
  232   2HB   SER  32          HB1       SER  32   3.333  -3.157   5.903
  233    HG   SER  32           HG       SER  32   3.522  -2.195   8.536
  234    H    GLY  33           HN       GLY  33   3.111  -2.045   3.789
  235   1HA   GLY  33          HA2       GLY  33   0.321  -2.262   2.903
  236   2HA   GLY  33          HA1       GLY  33   1.382  -1.219   1.967
  237    H    THR  34           HN       THR  34   0.002  -3.718   1.159
  238    HA   THR  34           HA       THR  34   2.400  -5.280   0.414
  239    HB   THR  34           HB       THR  34  -0.354  -6.317   1.083
  240    HG1  THR  34           HG1      THR  34   0.744  -6.116   2.937
  241   1HG2  THR  34          HG21      THR  34   0.368  -7.724  -0.670
  242   2HG2  THR  34          HG22      THR  34   0.726  -8.573   0.834
  243   3HG2  THR  34          HG23      THR  34   2.021  -7.767  -0.049
  244    H    CYS  35           HN       CYS  35   2.388  -6.362  -1.608
  245    HA   CYS  35           HA       CYS  35   1.216  -4.852  -3.722
  246   1HB   CYS  35          HB2       CYS  35   2.724  -7.467  -3.708
  247   2HB   CYS  35          HB1       CYS  35   2.120  -6.726  -5.188
  248    H    HIS  36           HN       HIS  36  -0.720  -5.042  -4.575
  249    HA   HIS  36           HA       HIS  36  -2.136  -7.611  -4.316
  250   1HB   HIS  36          HB2       HIS  36  -3.196  -4.784  -4.181
  251   2HB   HIS  36          HB1       HIS  36  -4.245  -6.176  -4.426
  252    HD1  HIS  36           HD1      HIS  36  -4.045  -8.058  -2.461
  253    HD2  HIS  36           HD2      HIS  36  -2.676  -4.245  -1.580
  254    HE1  HIS  36           HE1      HIS  36  -3.912  -7.960   0.049
  255    HE2  HIS  36           HE2      HIS  36  -3.341  -5.558   0.554
  256    H    ASN  37           HN       ASN  37  -4.261  -6.566  -6.119
  257    HA   ASN  37           HA       ASN  37  -3.294  -7.556  -8.538
  258   1HB   ASN  37          HB2       ASN  37  -5.687  -5.766  -8.069
  259   2HB   ASN  37          HB1       ASN  37  -5.384  -6.703  -9.530
  260   1HD2  ASN  37          HD21      ASN  37  -7.175  -6.667  -6.852
  261   2HD2  ASN  37          HD22      ASN  37  -7.397  -8.360  -6.605
  262    H    TRP  38           HN       TRP  38  -1.280  -6.317  -8.662
  263    HA   TRP  38           HA       TRP  38   0.079  -4.758  -9.609
  264   1HB   TRP  38          HB2       TRP  38  -2.407  -4.382 -11.263
  265   2HB   TRP  38          HB1       TRP  38  -0.958  -3.429 -11.556
  266    HD1  TRP  38           HD1      TRP  38   0.205  -4.333 -13.599
  267    HE1  TRP  38           HE1      TRP  38   0.768  -6.645 -14.569
  268    HE3  TRP  38           HE3      TRP  38  -2.108  -7.291 -10.112
  269    HZ2  TRP  38           HZ2      TRP  38   0.295  -9.345 -13.956
  270    HZ3  TRP  38           HZ3      TRP  38  -2.000  -9.727 -10.385
  271    HH2  TRP  38           HH2      TRP  38  -0.825 -10.734 -12.270
  272    H    LYS  39           HN       LYS  39  -1.449  -4.003  -7.217
  273    HA   LYS  39           HA       LYS  39  -1.142  -1.106  -7.484
  274   1HB   LYS  39          HB2       LYS  39  -3.609  -2.440  -6.372
  275   2HB   LYS  39          HB1       LYS  39  -3.272  -0.722  -6.285
  276   1HG   LYS  39          HG2       LYS  39  -3.397  -0.534  -8.683
  277   2HG   LYS  39          HG1       LYS  39  -3.604  -2.282  -8.838
  278   1HD   LYS  39          HD2       LYS  39  -5.705  -2.144  -7.579
  279   2HD   LYS  39          HD1       LYS  39  -5.496  -0.402  -7.415
  280   1HE   LYS  39          HE2       LYS  39  -5.759  -1.861 -10.041
  281   2HE   LYS  39          HE1       LYS  39  -7.088  -1.060  -9.202
  282   1HZ   LYS  39          HZ1       LYS  39  -6.094   0.327 -10.949
  283   2HZ   LYS  39          HZ2       LYS  39  -4.611   0.302 -10.134
  284   3HZ   LYS  39          HZ3       LYS  39  -5.955   1.042  -9.420
  285    H    CYS  40           HN       CYS  40  -1.663  -0.102  -5.138
  286    HA   CYS  40           HA       CYS  40  -0.254  -1.756  -3.161
  287   1HB   CYS  40          HB2       CYS  40   0.128   1.127  -3.889
  288   2HB   CYS  40          HB1       CYS  40   0.487   0.565  -2.260
  289    H    PHE  41           HN       PHE  41  -1.591  -2.317  -1.614
  290    HA   PHE  41           HA       PHE  41  -3.585  -0.357  -0.690
  291   1HB   PHE  41          HB2       PHE  41  -3.574  -3.366  -0.335
  292   2HB   PHE  41          HB1       PHE  41  -4.799  -2.272   0.299
  293    HD1  PHE  41           HD1      PHE  41  -6.776  -2.483  -0.823
  294    HD2  PHE  41           HD2      PHE  41  -3.153  -2.702  -3.044
  295    HE1  PHE  41           HE1      PHE  41  -8.068  -2.721  -2.903
  296    HE2  PHE  41           HE2      PHE  41  -4.442  -2.941  -5.119
  297    HZ   PHE  41           HZ       PHE  41  -6.899  -2.946  -5.056
  298    H    CYS  42           HN       CYS  42  -3.278   0.511   1.256
  299    HA   CYS  42           HA       CYS  42  -1.141  -0.608   2.925
  300   1HB   CYS  42          HB2       CYS  42  -2.386   2.147   3.029
  301   2HB   CYS  42          HB1       CYS  42  -0.899   1.618   3.802
  302    H    THR  43           HN       THR  43  -1.431  -0.755   5.196
  303    HA   THR  43           HA       THR  43  -4.250  -1.107   5.959
  304    HB   THR  43           HB       THR  43  -2.914  -3.131   6.134
  305    HG1  THR  43           HG1      THR  43  -4.019  -3.538   7.855
  306   1HG2  THR  43          HG21      THR  43  -0.766  -3.016   6.653
  307   2HG2  THR  43          HG22      THR  43  -1.269  -2.776   8.326
  308   3HG2  THR  43          HG23      THR  43  -0.934  -1.383   7.301
  309    H    GLN  44           HN       GLN  44  -5.154   0.047   7.482
  310    HA   GLN  44           HA       GLN  44  -3.464   1.762   9.176
  311   1HB   GLN  44          HB2       GLN  44  -4.419   3.146   7.454
  312   2HB   GLN  44          HB1       GLN  44  -6.020   2.475   7.728
  313   1HG   GLN  44          HG2       GLN  44  -6.090   3.509   9.932
  314   2HG   GLN  44          HG1       GLN  44  -4.468   4.150   9.695
  315   1HE2  GLN  44          HE21      GLN  44  -5.882   4.341   6.732
  316   2HE2  GLN  44          HE22      GLN  44  -6.524   5.935   6.833
  317    H    ASN  45           HN       ASN  45  -4.055   2.008  11.275
  318    HA   ASN  45           HA       ASN  45  -5.626   0.006  12.487
  319   1HB   ASN  45          HB2       ASN  45  -4.672   2.643  13.641
  320   2HB   ASN  45          HB1       ASN  45  -5.205   1.240  14.564
  321   1HD2  ASN  45          HD21      ASN  45  -3.590   0.090  15.372
  322   2HD2  ASN  45          HD22      ASN  45  -2.025  -0.088  14.671
  323    H    CYS  46           HN       CYS  46  -7.786  -0.115  12.701
  324    HA   CYS  46           HA       CYS  46  -9.362   2.314  13.046
  325   1HB   CYS  46          HB2       CYS  46 -10.938   1.709  11.255
  326   2HB   CYS  46          HB1       CYS  46  -9.317   2.010  10.622
  Start of MODEL   18
    1   1H    LYS   1          HT1       LYS   1 -10.131  -5.469  15.233
    2   2H    LYS   1          HT2       LYS   1  -9.650  -3.854  15.065
    3   3H    LYS   1          HT3       LYS   1  -8.491  -5.087  15.088
    4    HA   LYS   1           HA       LYS   1  -9.249  -5.956  13.009
    5   1HB   LYS   1          HB2       LYS   1 -11.338  -3.771  13.232
    6   2HB   LYS   1          HB1       LYS   1 -11.079  -4.751  11.796
    7   1HG   LYS   1          HG2       LYS   1 -11.689  -6.762  13.040
    8   2HG   LYS   1          HG1       LYS   1 -11.927  -5.794  14.498
    9   1HD   LYS   1          HD2       LYS   1 -13.698  -4.531  13.365
   10   2HD   LYS   1          HD1       LYS   1 -13.464  -5.504  11.913
   11   1HE   LYS   1          HE2       LYS   1 -14.334  -6.544  14.613
   12   2HE   LYS   1          HE1       LYS   1 -15.396  -6.250  13.236
   13   1HZ   LYS   1          HZ1       LYS   1 -14.932  -8.534  13.203
   14   2HZ   LYS   1          HZ2       LYS   1 -13.283  -8.314  13.502
   15   3HZ   LYS   1          HZ3       LYS   1 -13.935  -7.890  11.999
   16    H    THR   2           HN       THR   2  -9.103  -4.701  10.782
   17    HA   THR   2           HA       THR   2  -7.586  -2.214  11.018
   18    HB   THR   2           HB       THR   2  -5.769  -3.125   9.561
   19    HG1  THR   2           HG1      THR   2  -5.592  -5.372   9.394
   20   1HG2  THR   2          HG21      THR   2  -5.388  -2.971  11.964
   21   2HG2  THR   2          HG22      THR   2  -4.565  -4.357  11.251
   22   3HG2  THR   2          HG23      THR   2  -6.052  -4.592  12.167
   23    H    CYS   3           HN       CYS   3  -7.409  -1.027   9.078
   24    HA   CYS   3           HA       CYS   3  -9.291  -1.908   6.978
   25   1HB   CYS   3          HB2       CYS   3  -8.565   0.890   7.860
   26   2HB   CYS   3          HB1       CYS   3  -9.616   0.513   6.499
   27    H    GLU   4           HN       GLU   4  -8.749  -1.732   4.848
   28    HA   GLU   4           HA       GLU   4  -5.924  -1.156   4.245
   29   1HB   GLU   4          HB2       GLU   4  -7.926  -2.966   2.904
   30   2HB   GLU   4          HB1       GLU   4  -6.440  -2.476   2.108
   31   1HG   GLU   4          HG2       GLU   4  -5.170  -3.500   3.989
   32   2HG   GLU   4          HG1       GLU   4  -6.703  -4.088   4.636
   33    H    HIS   5           HN       HIS   5  -5.397   0.392   2.821
   34    HA   HIS   5           HA       HIS   5  -7.538   1.599   1.196
   35   1HB   HIS   5          HB2       HIS   5  -5.485   3.111   2.827
   36   2HB   HIS   5          HB1       HIS   5  -6.566   3.847   1.650
   37    HD1  HIS   5           HD1      HIS   5  -9.248   3.026   2.261
   38    HD2  HIS   5           HD2      HIS   5  -6.457   3.474   5.301
   39    HE1  HIS   5           HE1      HIS   5 -10.595   3.343   4.362
   40    HE2  HIS   5           HE2      HIS   5  -8.878   3.792   6.154
   41    H    LEU   6           HN       LEU   6  -7.026   1.959  -0.873
   42    HA   LEU   6           HA       LEU   6  -4.349   1.267  -1.789
   43   1HB   LEU   6          HB2       LEU   6  -6.064   0.143  -2.939
   44   2HB   LEU   6          HB1       LEU   6  -7.009   1.608  -3.151
   45    HG   LEU   6           HG       LEU   6  -5.990   0.749  -5.244
   46   1HD1  LEU   6          HD11      LEU   6  -5.462   2.828  -6.115
   47   2HD1  LEU   6          HD12      LEU   6  -4.694   3.372  -4.629
   48   3HD1  LEU   6          HD13      LEU   6  -6.450   3.234  -4.712
   49   1HD2  LEU   6          HD21      LEU   6  -3.341   1.679  -4.229
   50   2HD2  LEU   6          HD22      LEU   6  -3.708   0.656  -5.613
   51   3HD2  LEU   6          HD23      LEU   6  -3.870   0.014  -3.977
   52    H    ALA   7           HN       ALA   7  -2.862   2.720  -2.328
   53    HA   ALA   7           HA       ALA   7  -3.578   5.540  -2.415
   54   1HB   ALA   7          HB1       ALA   7  -1.012   4.037  -2.173
   55   2HB   ALA   7          HB2       ALA   7  -1.681   5.312  -1.150
   56   3HB   ALA   7          HB3       ALA   7  -0.980   5.714  -2.723
   57    H    ASP   8           HN       ASP   8  -4.340   6.314  -4.252
   58    HA   ASP   8           HA       ASP   8  -3.962   5.277  -6.827
   59   1HB   ASP   8          HB2       ASP   8  -4.782   8.048  -5.950
   60   2HB   ASP   8          HB1       ASP   8  -4.895   7.456  -7.603
   61    H    THR   9           HN       THR   9  -1.651   6.967  -5.006
   62    HA   THR   9           HA       THR   9  -0.366   7.991  -7.446
   63    HB   THR   9           HB       THR   9   1.041   9.381  -5.991
   64    HG1  THR   9           HG1      THR   9  -0.251   9.283  -3.688
   65   1HG2  THR   9          HG21      THR   9  -0.600  10.816  -6.423
   66   2HG2  THR   9          HG22      THR   9  -1.049  10.545  -4.739
   67   3HG2  THR   9          HG23      THR   9  -1.863   9.654  -6.025
   68    H    TYR  10           HN       TYR  10  -0.144   5.451  -7.498
   69    HA   TYR  10           HA       TYR  10   2.391   4.713  -6.204
   70   1HB   TYR  10          HB2       TYR  10   0.520   3.220  -5.650
   71   2HB   TYR  10          HB1       TYR  10   0.215   2.939  -7.362
   72    HD1  TYR  10           HD1      TYR  10   3.144   2.752  -5.024
   73    HD2  TYR  10           HD2      TYR  10   0.931   0.945  -8.167
   74    HE1  TYR  10           HE1      TYR  10   4.732   0.867  -5.065
   75    HE2  TYR  10           HE2      TYR  10   2.508  -0.936  -8.204
   76    HH   TYR  10           HH       TYR  10   4.865  -1.442  -5.778
   77    H    ARG  11           HN       ARG  11   3.725   3.170  -7.580
   78    HA   ARG  11           HA       ARG  11   3.938   4.261 -10.286
   79   1HB   ARG  11          HB2       ARG  11   6.320   3.376 -10.088
   80   2HB   ARG  11          HB1       ARG  11   5.890   4.772  -9.105
   81   1HG   ARG  11          HG2       ARG  11   5.537   3.312  -7.180
   82   2HG   ARG  11          HG1       ARG  11   5.970   1.907  -8.154
   83   1HD   ARG  11          HD2       ARG  11   7.865   2.574  -6.845
   84   2HD   ARG  11          HD1       ARG  11   8.196   2.922  -8.545
   85    HE   ARG  11           HE       ARG  11   7.103   5.216  -7.361
   86   1HH1  ARG  11          HH11      ARG  11  10.006   3.314  -7.243
   87   2HH1  ARG  11          HH12      ARG  11  11.001   4.638  -6.755
   88   1HH2  ARG  11          HH21      ARG  11   8.391   6.944  -6.714
   89   2HH2  ARG  11          HH22      ARG  11  10.082   6.704  -6.459
   90    H    GLY  12           HN       GLY  12   2.882   2.940 -11.655
   91   1HA   GLY  12          HA2       GLY  12   2.384   1.088 -12.916
   92   2HA   GLY  12          HA1       GLY  12   4.032   0.592 -12.568
   93    H    VAL  13           HN       VAL  13   3.685  -1.549 -12.385
   94    HA   VAL  13           HA       VAL  13   1.604  -2.600 -10.648
   95    HB   VAL  13           HB       VAL  13   3.740  -4.086 -12.198
   96   1HG1  VAL  13          HG11      VAL  13   1.217  -5.099 -10.881
   97   2HG1  VAL  13          HG12      VAL  13   2.868  -5.405 -10.341
   98   3HG1  VAL  13          HG13      VAL  13   2.309  -6.052 -11.883
   99   1HG2  VAL  13          HG21      VAL  13   0.853  -3.580 -12.904
  100   2HG2  VAL  13          HG22      VAL  13   1.997  -4.553 -13.831
  101   3HG2  VAL  13          HG23      VAL  13   2.250  -2.815 -13.663
  102    H    CYS  14           HN       CYS  14   1.966  -3.836  -8.792
  103    HA   CYS  14           HA       CYS  14   4.471  -3.164  -7.430
  104   1HB   CYS  14          HB2       CYS  14   2.254  -2.705  -6.362
  105   2HB   CYS  14          HB1       CYS  14   2.001  -4.448  -6.261
  106    H    PHE  15           HN       PHE  15   6.087  -4.573  -7.394
  107    HA   PHE  15           HA       PHE  15   5.479  -7.429  -7.706
  108   1HB   PHE  15          HB2       PHE  15   8.069  -5.960  -8.231
  109   2HB   PHE  15          HB1       PHE  15   7.826  -7.693  -8.434
  110    HD1  PHE  15           HD1      PHE  15   6.215  -4.501  -9.531
  111    HD2  PHE  15           HD2      PHE  15   7.485  -8.429 -10.563
  112    HE1  PHE  15           HE1      PHE  15   5.481  -4.125 -11.845
  113    HE2  PHE  15           HE2      PHE  15   6.751  -8.058 -12.883
  114    HZ   PHE  15           HZ       PHE  15   5.748  -5.903 -13.527
  115    H    THR  16           HN       THR  16   7.683  -5.253  -5.913
  116    HA   THR  16           HA       THR  16   8.110  -7.417  -3.965
  117    HB   THR  16           HB       THR  16  10.056  -6.139  -3.197
  118    HG1  THR  16           HG1      THR  16   9.782  -4.321  -5.305
  119   1HG2  THR  16          HG21      THR  16  10.019  -6.393  -6.195
  120   2HG2  THR  16          HG22      THR  16  10.448  -7.659  -5.045
  121   3HG2  THR  16          HG23      THR  16  11.457  -6.219  -5.192
  122    H    ASN  17           HN       ASN  17   7.696  -7.168  -1.789
  123    HA   ASN  17           HA       ASN  17   5.558  -5.574  -1.023
  124   1HB   ASN  17          HB2       ASN  17   7.731  -6.694   0.769
  125   2HB   ASN  17          HB1       ASN  17   6.115  -6.215   1.272
  126   1HD2  ASN  17          HD21      ASN  17   4.797  -7.882   1.584
  127   2HD2  ASN  17          HD22      ASN  17   4.828  -9.372   0.711
  128    H    ALA  18           HN       ALA  18   9.010  -4.863  -1.009
  129    HA   ALA  18           HA       ALA  18   9.046  -2.623   0.662
  130   1HB   ALA  18          HB1       ALA  18  10.835  -2.805  -1.733
  131   2HB   ALA  18          HB2       ALA  18  10.996  -3.944  -0.394
  132   3HB   ALA  18          HB3       ALA  18  11.187  -2.215  -0.107
  133    H    SER  19           HN       SER  19   8.180  -2.820  -2.807
  134    HA   SER  19           HA       SER  19   8.267  -0.037  -3.299
  135   1HB   SER  19          HB2       SER  19   7.001  -0.430  -5.311
  136   2HB   SER  19          HB1       SER  19   8.104  -1.800  -5.092
  137    HG   SER  19           HG       SER  19   6.110  -2.701  -3.889
  138    H    CYS  20           HN       CYS  20   5.754  -2.002  -1.790
  139    HA   CYS  20           HA       CYS  20   3.875   0.220  -1.856
  140   1HB   CYS  20          HB2       CYS  20   3.655  -2.530  -0.641
  141   2HB   CYS  20          HB1       CYS  20   2.405  -1.308  -0.530
  142    H    ASP  21           HN       ASP  21   5.760  -1.587   0.594
  143    HA   ASP  21           HA       ASP  21   4.851  -0.358   2.893
  144   1HB   ASP  21          HB2       ASP  21   6.548  -2.230   2.729
  145   2HB   ASP  21          HB1       ASP  21   7.760  -1.008   2.362
  146    H    ASP  22           HN       ASP  22   7.820   0.660   1.155
  147    HA   ASP  22           HA       ASP  22   8.279   3.112   2.368
  148   1HB   ASP  22          HB2       ASP  22   9.753   2.014   0.648
  149   2HB   ASP  22          HB1       ASP  22   8.603   2.506  -0.591
  150    H    HIS  23           HN       HIS  23   6.464   2.456  -0.568
  151    HA   HIS  23           HA       HIS  23   5.396   4.896  -1.206
  152   1HB   HIS  23          HB2       HIS  23   5.214   2.904  -2.565
  153   2HB   HIS  23          HB1       HIS  23   4.251   2.102  -1.349
  154    HD1  HIS  23           HD1      HIS  23   3.653   5.540  -2.762
  155    HD2  HIS  23           HD2      HIS  23   2.008   1.760  -2.804
  156    HE1  HIS  23           HE1      HIS  23   1.436   5.791  -3.930
  157    HE2  HIS  23           HE2      HIS  23   0.359   3.519  -3.736
  158    H    CYS  24           HN       CYS  24   3.875   2.430   0.845
  159    HA   CYS  24           HA       CYS  24   1.653   3.910   1.658
  160   1HB   CYS  24          HB2       CYS  24   3.180   1.690   3.019
  161   2HB   CYS  24          HB1       CYS  24   1.691   2.361   3.680
  162    H    LYS  25           HN       LYS  25   4.822   3.613   3.310
  163    HA   LYS  25           HA       LYS  25   4.143   5.297   5.471
  164   1HB   LYS  25          HB2       LYS  25   6.871   4.720   4.305
  165   2HB   LYS  25          HB1       LYS  25   6.581   5.500   5.854
  166   1HG   LYS  25          HG2       LYS  25   5.370   3.449   6.583
  167   2HG   LYS  25          HG1       LYS  25   5.874   2.681   5.076
  168   1HD   LYS  25          HD2       LYS  25   8.218   3.003   5.683
  169   2HD   LYS  25          HD1       LYS  25   7.731   3.808   7.176
  170   1HE   LYS  25          HE2       LYS  25   7.177   0.945   6.416
  171   2HE   LYS  25          HE1       LYS  25   8.336   1.501   7.622
  172   1HZ   LYS  25          HZ1       LYS  25   6.668   1.266   9.071
  173   2HZ   LYS  25          HZ2       LYS  25   5.484   1.113   7.860
  174   3HZ   LYS  25          HZ3       LYS  25   5.982   2.652   8.388
  175    H    ASN  26           HN       ASN  26   5.691   6.035   2.378
  176    HA   ASN  26           HA       ASN  26   6.030   8.814   3.033
  177   1HB   ASN  26          HB2       ASN  26   6.516   7.183   0.555
  178   2HB   ASN  26          HB1       ASN  26   6.786   8.910   0.594
  179   1HD2  ASN  26          HD21      ASN  26   8.334   6.236   0.615
  180   2HD2  ASN  26          HD22      ASN  26   9.662   6.627   1.640
  181    H    LYS  27           HN       LYS  27   3.621   6.986   1.178
  182    HA   LYS  27           HA       LYS  27   2.449   9.485   0.196
  183   1HB   LYS  27          HB2       LYS  27   1.676   6.608  -0.305
  184   2HB   LYS  27          HB1       LYS  27   0.904   7.996  -1.058
  185   1HG   LYS  27          HG2       LYS  27   3.816   7.312  -1.340
  186   2HG   LYS  27          HG1       LYS  27   2.557   6.864  -2.493
  187   1HD   LYS  27          HD2       LYS  27   2.067   9.203  -2.912
  188   2HD   LYS  27          HD1       LYS  27   3.243   9.696  -1.692
  189   1HE   LYS  27          HE2       LYS  27   4.173   9.930  -3.924
  190   2HE   LYS  27          HE1       LYS  27   5.027   8.680  -3.020
  191   1HZ   LYS  27          HZ1       LYS  27   4.467   7.160  -4.530
  192   2HZ   LYS  27          HZ2       LYS  27   3.931   8.422  -5.520
  193   3HZ   LYS  27          HZ3       LYS  27   2.828   7.601  -4.528
  194    H    ALA  28           HN       ALA  28   1.157   6.622   1.919
  195    HA   ALA  28           HA       ALA  28  -0.834   8.398   3.160
  196   1HB   ALA  28          HB1       ALA  28  -1.118   5.754   1.877
  197   2HB   ALA  28          HB2       ALA  28  -2.273   7.079   2.025
  198   3HB   ALA  28          HB3       ALA  28  -2.012   5.982   3.381
  199    H    HIS  29           HN       HIS  29   0.612   8.801   4.807
  200    HA   HIS  29           HA       HIS  29   2.203   7.553   6.432
  201   1HB   HIS  29          HB2       HIS  29   1.469   9.879   6.753
  202   2HB   HIS  29          HB1       HIS  29  -0.039   9.304   7.458
  203    HD1  HIS  29           HD1      HIS  29   3.661   8.696   8.196
  204    HD2  HIS  29           HD2      HIS  29   0.075   9.494  10.137
  205    HE1  HIS  29           HE1      HIS  29   4.237   8.840  10.644
  206    HE2  HIS  29           HE2      HIS  29   2.073   9.455  11.778
  207    H    LEU  30           HN       LEU  30   1.429   5.340   6.136
  208    HA   LEU  30           HA       LEU  30  -0.183   4.457   8.446
  209   1HB   LEU  30          HB2       LEU  30  -0.180   3.504   5.618
  210   2HB   LEU  30          HB1       LEU  30  -0.462   2.330   6.888
  211    HG   LEU  30           HG       LEU  30  -2.434   3.542   7.631
  212   1HD1  LEU  30          HD11      LEU  30  -3.247   5.505   6.646
  213   2HD1  LEU  30          HD12      LEU  30  -2.104   5.412   5.309
  214   3HD1  LEU  30          HD13      LEU  30  -1.537   5.811   6.928
  215   1HD2  LEU  30          HD21      LEU  30  -2.376   1.919   5.610
  216   2HD2  LEU  30          HD22      LEU  30  -2.723   3.368   4.666
  217   3HD2  LEU  30          HD23      LEU  30  -3.834   2.855   5.934
  218    H    ILE  31           HN       ILE  31   0.323   1.928   8.753
  219    HA   ILE  31           HA       ILE  31   3.021   1.844   9.599
  220    HB   ILE  31           HB       ILE  31   2.536  -0.466  10.316
  221   1HG1  ILE  31          HG12      ILE  31  -0.216   0.119   9.208
  222   2HG1  ILE  31          HG11      ILE  31   0.931  -1.064   8.584
  223   1HG2  ILE  31          HG21      ILE  31   2.139   1.499  11.741
  224   2HG2  ILE  31          HG22      ILE  31   1.024   0.178  12.092
  225   3HG2  ILE  31          HG23      ILE  31   0.479   1.567  11.152
  226   1HD1  ILE  31          HD11      ILE  31   0.059  -1.261  11.420
  227   2HD1  ILE  31          HD12      ILE  31   0.554  -2.533  10.302
  228   3HD1  ILE  31          HD13      ILE  31  -1.036  -1.787  10.142
  229    H    SER  32           HN       SER  32   1.296   0.051   7.027
  230    HA   SER  32           HA       SER  32   3.694  -0.024   5.463
  231   1HB   SER  32          HB2       SER  32   4.217  -1.798   7.062
  232   2HB   SER  32          HB1       SER  32   2.726  -2.640   6.632
  233    HG   SER  32           HG       SER  32   5.024  -2.181   5.031
  234    H    GLY  33           HN       GLY  33   3.142  -2.276   3.872
  235   1HA   GLY  33          HA2       GLY  33   0.495  -2.492   2.923
  236   2HA   GLY  33          HA1       GLY  33   1.288  -1.217   2.013
  237    H    THR  34           HN       THR  34   0.312  -3.976   1.227
  238    HA   THR  34           HA       THR  34   2.881  -4.959   0.149
  239    HB   THR  34           HB       THR  34   1.959  -6.562   1.723
  240    HG1  THR  34           HG1      THR  34   1.634  -8.324   0.108
  241   1HG2  THR  34          HG21      THR  34  -0.438  -6.735  -0.086
  242   2HG2  THR  34          HG22      THR  34  -0.424  -5.988   1.515
  243   3HG2  THR  34          HG23      THR  34  -0.116  -7.716   1.338
  244    H    CYS  35           HN       CYS  35   2.593  -6.371  -1.818
  245    HA   CYS  35           HA       CYS  35   1.364  -4.817  -3.888
  246   1HB   CYS  35          HB2       CYS  35   2.759  -7.498  -3.981
  247   2HB   CYS  35          HB1       CYS  35   2.222  -6.605  -5.403
  248    H    HIS  36           HN       HIS  36  -0.790  -4.875  -4.157
  249    HA   HIS  36           HA       HIS  36  -2.208  -7.416  -3.892
  250   1HB   HIS  36          HB2       HIS  36  -3.196  -4.567  -4.162
  251   2HB   HIS  36          HB1       HIS  36  -4.244  -5.972  -4.035
  252    HD1  HIS  36           HD1      HIS  36  -1.262  -4.754  -1.954
  253    HD2  HIS  36           HD2      HIS  36  -5.151  -6.117  -1.576
  254    HE1  HIS  36           HE1      HIS  36  -1.706  -4.831   0.522
  255    HE2  HIS  36           HE2      HIS  36  -4.125  -5.540   0.739
  256    H    ASN  37           HN       ASN  37  -4.310  -6.403  -5.774
  257    HA   ASN  37           HA       ASN  37  -3.422  -7.680  -8.108
  258   1HB   ASN  37          HB2       ASN  37  -5.767  -5.802  -7.720
  259   2HB   ASN  37          HB1       ASN  37  -5.518  -6.823  -9.135
  260   1HD2  ASN  37          HD21      ASN  37  -7.241  -6.606  -6.412
  261   2HD2  ASN  37          HD22      ASN  37  -7.489  -8.279  -6.066
  262    H    TRP  38           HN       TRP  38  -1.358  -6.468  -8.321
  263    HA   TRP  38           HA       TRP  38   0.004  -5.065  -9.496
  264   1HB   TRP  38          HB2       TRP  38  -2.565  -4.622 -11.005
  265   2HB   TRP  38          HB1       TRP  38  -1.087  -3.785 -11.444
  266    HD1  TRP  38           HD1      TRP  38  -0.246  -4.853 -13.577
  267    HE1  TRP  38           HE1      TRP  38   0.152  -7.238 -14.447
  268    HE3  TRP  38           HE3      TRP  38  -2.211  -7.526  -9.665
  269    HZ2  TRP  38           HZ2      TRP  38  -0.303  -9.875 -13.616
  270    HZ3  TRP  38           HZ3      TRP  38  -2.184  -9.970  -9.794
  271    HH2  TRP  38           HH2      TRP  38  -1.255 -11.126 -11.729
  272    H    LYS  39           HN       LYS  39  -1.569  -4.162  -7.098
  273    HA   LYS  39           HA       LYS  39  -1.033  -1.295  -7.398
  274   1HB   LYS  39          HB2       LYS  39  -3.590  -2.469  -6.302
  275   2HB   LYS  39          HB1       LYS  39  -3.151  -0.774  -6.209
  276   1HG   LYS  39          HG2       LYS  39  -3.209  -0.605  -8.633
  277   2HG   LYS  39          HG1       LYS  39  -3.594  -2.326  -8.752
  278   1HD   LYS  39          HD2       LYS  39  -5.659  -1.937  -7.466
  279   2HD   LYS  39          HD1       LYS  39  -5.283  -0.217  -7.395
  280   1HE   LYS  39          HE2       LYS  39  -5.752  -1.790  -9.930
  281   2HE   LYS  39          HE1       LYS  39  -6.958  -0.787  -9.125
  282   1HZ   LYS  39          HZ1       LYS  39  -5.688   0.236 -11.055
  283   2HZ   LYS  39          HZ2       LYS  39  -4.360   0.334 -10.010
  284   3HZ   LYS  39          HZ3       LYS  39  -5.793   1.153  -9.638
  285    H    CYS  40           HN       CYS  40  -1.443  -0.223  -5.102
  286    HA   CYS  40           HA       CYS  40  -0.218  -1.955  -3.063
  287   1HB   CYS  40          HB2       CYS  40   0.340   0.902  -3.795
  288   2HB   CYS  40          HB1       CYS  40   0.699   0.294  -2.186
  289    H    PHE  41           HN       PHE  41  -1.586  -2.361  -1.496
  290    HA   PHE  41           HA       PHE  41  -3.471  -0.253  -0.670
  291   1HB   PHE  41          HB2       PHE  41  -3.682  -3.255  -0.324
  292   2HB   PHE  41          HB1       PHE  41  -4.789  -2.095   0.402
  293    HD1  PHE  41           HD1      PHE  41  -3.341  -2.510  -3.030
  294    HD2  PHE  41           HD2      PHE  41  -6.820  -2.151  -0.608
  295    HE1  PHE  41           HE1      PHE  41  -4.751  -2.583  -5.045
  296    HE2  PHE  41           HE2      PHE  41  -8.232  -2.227  -2.620
  297    HZ   PHE  41           HZ       PHE  41  -7.198  -2.445  -4.842
  298    H    CYS  42           HN       CYS  42  -3.241   0.573   1.306
  299    HA   CYS  42           HA       CYS  42  -1.127  -0.576   2.989
  300   1HB   CYS  42          HB2       CYS  42  -2.315   2.206   3.047
  301   2HB   CYS  42          HB1       CYS  42  -0.849   1.655   3.850
  302    H    THR  43           HN       THR  43  -1.435  -0.676   5.274
  303    HA   THR  43           HA       THR  43  -4.251  -1.003   6.021
  304    HB   THR  43           HB       THR  43  -3.301  -2.432   7.853
  305    HG1  THR  43           HG1      THR  43  -1.195  -2.882   7.895
  306   1HG2  THR  43          HG21      THR  43  -2.175  -3.762   5.537
  307   2HG2  THR  43          HG22      THR  43  -3.791  -3.117   5.253
  308   3HG2  THR  43          HG23      THR  43  -3.511  -4.239   6.584
  309    H    GLN  44           HN       GLN  44  -5.126   0.034   7.672
  310    HA   GLN  44           HA       GLN  44  -3.405   1.711   9.369
  311   1HB   GLN  44          HB2       GLN  44  -4.442   3.081   7.585
  312   2HB   GLN  44          HB1       GLN  44  -6.030   2.553   8.115
  313   1HG   GLN  44          HG2       GLN  44  -5.700   3.663  10.256
  314   2HG   GLN  44          HG1       GLN  44  -4.082   4.157   9.762
  315   1HE2  GLN  44          HE21      GLN  44  -3.931   6.155   9.023
  316   2HE2  GLN  44          HE22      GLN  44  -5.204   7.063   8.290
  317    H    ASN  45           HN       ASN  45  -4.231   2.150  11.453
  318    HA   ASN  45           HA       ASN  45  -5.705   0.005  12.601
  319   1HB   ASN  45          HB2       ASN  45  -4.832   2.655  13.790
  320   2HB   ASN  45          HB1       ASN  45  -5.468   1.295  14.708
  321   1HD2  ASN  45          HD21      ASN  45  -2.715   2.821  13.878
  322   2HD2  ASN  45          HD22      ASN  45  -1.595   1.515  14.020
  323    H    CYS  46           HN       CYS  46  -7.849  -0.184  12.928
  324    HA   CYS  46           HA       CYS  46  -9.552   2.135  13.225
  325   1HB   CYS  46          HB2       CYS  46 -11.032   1.567  11.340
  326   2HB   CYS  46          HB1       CYS  46  -9.411   1.998  10.792
  Start of MODEL   19
    1   1H    LYS   1          HT1       LYS   1  -9.550  -5.153  15.188
    2   2H    LYS   1          HT2       LYS   1 -11.063  -5.892  15.048
    3   3H    LYS   1          HT3       LYS   1 -10.920  -4.222  14.832
    4    HA   LYS   1           HA       LYS   1  -9.558  -6.195  13.089
    5   1HB   LYS   1          HB2       LYS   1 -12.253  -4.854  12.772
    6   2HB   LYS   1          HB1       LYS   1 -11.403  -5.649  11.455
    7   1HG   LYS   1          HG2       LYS   1 -11.491  -7.770  12.683
    8   2HG   LYS   1          HG1       LYS   1 -12.364  -6.967  13.992
    9   1HD   LYS   1          HD2       LYS   1 -14.199  -6.449  12.490
   10   2HD   LYS   1          HD1       LYS   1 -13.317  -7.151  11.132
   11   1HE   LYS   1          HE2       LYS   1 -13.375  -9.342  12.234
   12   2HE   LYS   1          HE1       LYS   1 -14.251  -8.634  13.592
   13   1HZ   LYS   1          HZ1       LYS   1 -15.388  -9.763  11.387
   14   2HZ   LYS   1          HZ2       LYS   1 -15.508  -8.108  11.059
   15   3HZ   LYS   1          HZ3       LYS   1 -16.173  -8.737  12.481
   16    H    THR   2           HN       THR   2  -9.203  -5.122  10.879
   17    HA   THR   2           HA       THR   2  -8.699  -2.237  11.130
   18    HB   THR   2           HB       THR   2  -6.565  -3.198  11.609
   19    HG1  THR   2           HG1      THR   2  -6.321  -2.569   8.883
   20   1HG2  THR   2          HG21      THR   2  -7.258  -5.120   9.528
   21   2HG2  THR   2          HG22      THR   2  -6.187  -5.287  10.919
   22   3HG2  THR   2          HG23      THR   2  -5.606  -4.517   9.442
   23    H    CYS   3           HN       CYS   3  -8.271  -1.179   9.086
   24    HA   CYS   3           HA       CYS   3  -9.524  -2.577   6.803
   25   1HB   CYS   3          HB2       CYS   3 -10.425  -0.261   6.166
   26   2HB   CYS   3          HB1       CYS   3 -11.185  -1.061   7.539
   27    H    GLU   4           HN       GLU   4  -8.691  -2.195   4.774
   28    HA   GLU   4           HA       GLU   4  -6.115  -0.773   4.732
   29   1HB   GLU   4          HB2       GLU   4  -7.113  -3.024   2.973
   30   2HB   GLU   4          HB1       GLU   4  -5.595  -2.172   2.729
   31   1HG   GLU   4          HG2       GLU   4  -4.825  -2.945   4.930
   32   2HG   GLU   4          HG1       GLU   4  -6.333  -3.833   5.130
   33    H    HIS   5           HN       HIS   5  -5.563   0.499   2.921
   34    HA   HIS   5           HA       HIS   5  -7.795   1.275   1.172
   35   1HB   HIS   5          HB2       HIS   5  -5.966   3.207   2.624
   36   2HB   HIS   5          HB1       HIS   5  -7.167   3.658   1.422
   37    HD1  HIS   5           HD1      HIS   5  -9.687   2.447   2.268
   38    HD2  HIS   5           HD2      HIS   5  -6.930   3.811   5.056
   39    HE1  HIS   5           HE1      HIS   5 -11.011   2.876   4.366
   40    HE2  HIS   5           HE2      HIS   5  -9.327   3.773   6.018
   41    H    LEU   6           HN       LEU   6  -7.248   1.642  -0.924
   42    HA   LEU   6           HA       LEU   6  -4.495   1.084  -1.696
   43   1HB   LEU   6          HB2       LEU   6  -6.290  -0.106  -2.843
   44   2HB   LEU   6          HB1       LEU   6  -7.015   1.413  -3.342
   45    HG   LEU   6           HG       LEU   6  -4.293   0.472  -4.264
   46   1HD1  LEU   6          HD11      LEU   6  -5.869   0.254  -6.428
   47   2HD1  LEU   6          HD12      LEU   6  -7.027  -0.172  -5.169
   48   3HD1  LEU   6          HD13      LEU   6  -5.531  -1.090  -5.336
   49   1HD2  LEU   6          HD21      LEU   6  -6.003   2.353  -5.793
   50   2HD2  LEU   6          HD22      LEU   6  -4.248   2.269  -5.670
   51   3HD2  LEU   6          HD23      LEU   6  -5.189   2.982  -4.369
   52    H    ALA   7           HN       ALA   7  -3.080   2.608  -2.224
   53    HA   ALA   7           HA       ALA   7  -3.937   5.382  -2.275
   54   1HB   ALA   7          HB1       ALA   7  -1.430   3.957  -1.765
   55   2HB   ALA   7          HB2       ALA   7  -2.040   5.467  -1.089
   56   3HB   ALA   7          HB3       ALA   7  -1.236   5.468  -2.657
   57    H    ASP   8           HN       ASP   8  -4.422   6.433  -4.064
   58    HA   ASP   8           HA       ASP   8  -4.127   5.346  -6.657
   59   1HB   ASP   8          HB2       ASP   8  -4.843   8.154  -5.809
   60   2HB   ASP   8          HB1       ASP   8  -5.043   7.499  -7.431
   61    H    THR   9           HN       THR   9  -1.794   7.012  -4.817
   62    HA   THR   9           HA       THR   9  -0.451   7.936  -7.268
   63    HB   THR   9           HB       THR   9   0.999   9.279  -5.769
   64    HG1  THR   9           HG1      THR   9  -0.721   8.967  -3.622
   65   1HG2  THR   9          HG21      THR   9  -0.394  11.016  -5.752
   66   2HG2  THR   9          HG22      THR   9  -1.621  10.158  -4.822
   67   3HG2  THR   9          HG23      THR   9  -1.509   9.918  -6.564
   68    H    TYR  10           HN       TYR  10  -0.196   5.502  -7.431
   69    HA   TYR  10           HA       TYR  10   2.224   4.590  -6.031
   70   1HB   TYR  10          HB2       TYR  10   0.242   3.161  -5.739
   71   2HB   TYR  10          HB1       TYR  10   0.063   3.023  -7.483
   72    HD1  TYR  10           HD1      TYR  10   0.486   0.866  -8.135
   73    HD2  TYR  10           HD2      TYR  10   3.003   2.632  -5.192
   74    HE1  TYR  10           HE1      TYR  10   1.933  -1.120  -8.185
   75    HE2  TYR  10           HE2      TYR  10   4.454   0.642  -5.235
   76    HH   TYR  10           HH       TYR  10   4.565  -1.460  -7.602
   77    H    ARG  11           HN       ARG  11   3.307   2.782  -7.766
   78    HA   ARG  11           HA       ARG  11   4.078   4.436 -10.036
   79   1HB   ARG  11          HB2       ARG  11   5.607   2.044  -9.090
   80   2HB   ARG  11          HB1       ARG  11   6.207   3.504  -9.858
   81   1HG   ARG  11          HG2       ARG  11   5.729   4.753  -7.771
   82   2HG   ARG  11          HG1       ARG  11   5.238   3.238  -7.009
   83   1HD   ARG  11          HD2       ARG  11   7.971   3.827  -8.164
   84   2HD   ARG  11          HD1       ARG  11   7.556   3.841  -6.450
   85    HE   ARG  11           HE       ARG  11   6.855   1.337  -7.406
   86   1HH1  ARG  11          HH11      ARG  11   9.775   3.206  -7.135
   87   2HH1  ARG  11          HH12      ARG  11  10.790   1.822  -6.938
   88   1HH2  ARG  11          HH21      ARG  11   8.187  -0.475  -7.146
   89   2HH2  ARG  11          HH22      ARG  11   9.891  -0.267  -6.949
   90    H    GLY  12           HN       GLY  12   1.684   2.767 -10.161
   91   1HA   GLY  12          HA2       GLY  12   0.721   1.591 -11.919
   92   2HA   GLY  12          HA1       GLY  12   2.325   1.323 -12.589
   93    H    VAL  13           HN       VAL  13   3.144  -0.671 -12.448
   94    HA   VAL  13           HA       VAL  13   1.639  -2.732 -11.040
   95    HB   VAL  13           HB       VAL  13   4.069  -2.977 -12.825
   96   1HG1  VAL  13          HG11      VAL  13   2.271  -5.040 -11.578
   97   2HG1  VAL  13          HG12      VAL  13   4.030  -4.922 -11.510
   98   3HG1  VAL  13          HG13      VAL  13   3.235  -5.374 -13.017
   99   1HG2  VAL  13          HG21      VAL  13   1.180  -2.791 -13.381
  100   2HG2  VAL  13          HG22      VAL  13   2.056  -4.049 -14.253
  101   3HG2  VAL  13          HG23      VAL  13   2.562  -2.366 -14.389
  102    H    CYS  14           HN       CYS  14   2.608  -4.291  -9.596
  103    HA   CYS  14           HA       CYS  14   4.880  -3.158  -8.092
  104   1HB   CYS  14          HB2       CYS  14   3.024  -3.448  -6.622
  105   2HB   CYS  14          HB1       CYS  14   2.746  -5.096  -7.197
  106    H    PHE  15           HN       PHE  15   6.600  -4.411  -7.409
  107    HA   PHE  15           HA       PHE  15   6.960  -6.958  -8.838
  108   1HB   PHE  15          HB2       PHE  15   9.081  -4.869  -8.264
  109   2HB   PHE  15          HB1       PHE  15   9.359  -6.425  -9.045
  110    HD1  PHE  15           HD1      PHE  15   7.032  -3.518  -9.478
  111    HD2  PHE  15           HD2      PHE  15   9.634  -6.343 -11.310
  112    HE1  PHE  15           HE1      PHE  15   6.569  -2.510 -11.671
  113    HE2  PHE  15           HE2      PHE  15   9.178  -5.335 -13.510
  114    HZ   PHE  15           HZ       PHE  15   7.646  -3.415 -13.690
  115    H    THR  16           HN       THR  16   8.154  -5.059  -6.045
  116    HA   THR  16           HA       THR  16   8.328  -7.584  -4.529
  117    HB   THR  16           HB       THR  16  10.305  -6.752  -3.376
  118    HG1  THR  16           HG1      THR  16  11.232  -4.789  -3.990
  119   1HG2  THR  16          HG21      THR  16  11.091  -6.149  -6.154
  120   2HG2  THR  16          HG22      THR  16  10.386  -7.735  -5.844
  121   3HG2  THR  16          HG23      THR  16  11.829  -7.226  -4.968
  122    H    ASN  17           HN       ASN  17   7.925  -7.421  -2.248
  123    HA   ASN  17           HA       ASN  17   5.753  -5.875  -1.512
  124   1HB   ASN  17          HB2       ASN  17   7.858  -7.166   0.230
  125   2HB   ASN  17          HB1       ASN  17   6.332  -6.522   0.829
  126   1HD2  ASN  17          HD21      ASN  17   7.823  -9.284   0.017
  127   2HD2  ASN  17          HD22      ASN  17   6.463 -10.236  -0.458
  128    H    ALA  18           HN       ALA  18   9.184  -5.092  -1.203
  129    HA   ALA  18           HA       ALA  18   9.046  -2.965   0.588
  130   1HB   ALA  18          HB1       ALA  18  10.903  -2.969  -1.776
  131   2HB   ALA  18          HB2       ALA  18  11.111  -4.089  -0.431
  132   3HB   ALA  18          HB3       ALA  18  11.191  -2.350  -0.149
  133    H    SER  19           HN       SER  19   8.203  -3.090  -2.808
  134    HA   SER  19           HA       SER  19   8.176  -0.422  -3.531
  135   1HB   SER  19          HB2       SER  19   6.371  -1.044  -5.112
  136   2HB   SER  19          HB1       SER  19   7.668  -2.243  -5.097
  137    HG   SER  19           HG       SER  19   6.389  -3.642  -3.991
  138    H    CYS  20           HN       CYS  20   5.184  -2.119  -2.636
  139    HA   CYS  20           HA       CYS  20   3.642   0.112  -2.107
  140   1HB   CYS  20          HB2       CYS  20   3.474  -2.675  -0.985
  141   2HB   CYS  20          HB1       CYS  20   2.241  -1.454  -0.702
  142    H    ASP  21           HN       ASP  21   5.704  -1.713   0.183
  143    HA   ASP  21           HA       ASP  21   4.832  -0.464   2.515
  144   1HB   ASP  21          HB2       ASP  21   6.447  -2.426   2.318
  145   2HB   ASP  21          HB1       ASP  21   7.716  -1.227   2.064
  146    H    ASP  22           HN       ASP  22   7.809   0.453   0.696
  147    HA   ASP  22           HA       ASP  22   8.340   2.875   1.964
  148   1HB   ASP  22          HB2       ASP  22   9.888   2.002   0.321
  149   2HB   ASP  22          HB1       ASP  22   8.677   2.089  -0.946
  150    H    HIS  23           HN       HIS  23   6.518   2.347  -0.983
  151    HA   HIS  23           HA       HIS  23   5.483   4.795  -1.545
  152   1HB   HIS  23          HB2       HIS  23   5.091   2.930  -2.974
  153   2HB   HIS  23          HB1       HIS  23   4.276   2.039  -1.715
  154    HD1  HIS  23           HD1      HIS  23   3.481   5.547  -2.867
  155    HD2  HIS  23           HD2      HIS  23   1.880   1.767  -2.884
  156    HE1  HIS  23           HE1      HIS  23   1.091   5.842  -3.609
  157    HE2  HIS  23           HE2      HIS  23   0.141   3.510  -3.646
  158    H    CYS  24           HN       CYS  24   3.766   2.388   0.448
  159    HA   CYS  24           HA       CYS  24   1.730   4.030   1.359
  160   1HB   CYS  24          HB2       CYS  24   3.097   1.657   2.578
  161   2HB   CYS  24          HB1       CYS  24   1.839   2.514   3.462
  162    H    LYS  25           HN       LYS  25   4.783   3.360   3.108
  163    HA   LYS  25           HA       LYS  25   4.388   5.109   5.224
  164   1HB   LYS  25          HB2       LYS  25   6.930   4.235   3.876
  165   2HB   LYS  25          HB1       LYS  25   6.922   5.219   5.333
  166   1HG   LYS  25          HG2       LYS  25   5.679   3.441   6.496
  167   2HG   LYS  25          HG1       LYS  25   5.763   2.458   5.032
  168   1HD   LYS  25          HD2       LYS  25   8.161   2.361   5.159
  169   2HD   LYS  25          HD1       LYS  25   8.185   3.524   6.485
  170   1HE   LYS  25          HE2       LYS  25   8.535   1.243   7.284
  171   2HE   LYS  25          HE1       LYS  25   7.044   1.935   7.925
  172   1HZ   LYS  25          HZ1       LYS  25   6.090   0.062   7.210
  173   2HZ   LYS  25          HZ2       LYS  25   7.416  -0.367   6.237
  174   3HZ   LYS  25          HZ3       LYS  25   6.239   0.687   5.646
  175    H    ASN  26           HN       ASN  26   5.895   5.829   2.090
  176    HA   ASN  26           HA       ASN  26   6.345   8.576   2.830
  177   1HB   ASN  26          HB2       ASN  26   6.810   7.001   0.315
  178   2HB   ASN  26          HB1       ASN  26   7.125   8.719   0.400
  179   1HD2  ASN  26          HD21      ASN  26   8.618   6.025   0.360
  180   2HD2  ASN  26          HD22      ASN  26   9.928   6.353   1.432
  181    H    LYS  27           HN       LYS  27   3.886   6.887   0.924
  182    HA   LYS  27           HA       LYS  27   2.807   9.404  -0.062
  183   1HB   LYS  27          HB2       LYS  27   1.993   6.531  -0.421
  184   2HB   LYS  27          HB1       LYS  27   0.992   7.857  -0.998
  185   1HG   LYS  27          HG2       LYS  27   3.847   7.342  -1.802
  186   2HG   LYS  27          HG1       LYS  27   2.413   6.940  -2.758
  187   1HD   LYS  27          HD2       LYS  27   1.807   9.309  -2.851
  188   2HD   LYS  27          HD1       LYS  27   3.214   9.723  -1.870
  189   1HE   LYS  27          HE2       LYS  27   3.309   8.417  -4.596
  190   2HE   LYS  27          HE1       LYS  27   3.549  10.138  -4.283
  191   1HZ   LYS  27          HZ1       LYS  27   5.435   9.500  -2.816
  192   2HZ   LYS  27          HZ2       LYS  27   5.679   9.109  -4.445
  193   3HZ   LYS  27          HZ3       LYS  27   5.260   7.899  -3.340
  194    H    ALA  28           HN       ALA  28   1.668   6.825   2.126
  195    HA   ALA  28           HA       ALA  28  -0.113   8.821   3.348
  196   1HB   ALA  28          HB1       ALA  28  -0.800   5.967   2.670
  197   2HB   ALA  28          HB2       ALA  28  -1.555   7.433   2.043
  198   3HB   ALA  28          HB3       ALA  28  -1.766   6.986   3.737
  199    H    HIS  29           HN       HIS  29   1.518   9.120   4.853
  200    HA   HIS  29           HA       HIS  29   3.089   7.697   6.369
  201   1HB   HIS  29          HB2       HIS  29   2.678  10.129   6.629
  202   2HB   HIS  29          HB1       HIS  29   1.231   9.751   7.557
  203    HD1  HIS  29           HD1      HIS  29   2.994  11.393   9.117
  204    HD2  HIS  29           HD2      HIS  29   3.599   7.303   8.861
  205    HE1  HIS  29           HE1      HIS  29   4.381  10.800  11.130
  206    HE2  HIS  29           HE2      HIS  29   4.853   8.337  10.879
  207    H    LEU  30           HN       LEU  30   2.034   5.602   6.302
  208    HA   LEU  30           HA       LEU  30   0.476   5.094   8.759
  209   1HB   LEU  30          HB2       LEU  30   0.178   3.964   6.019
  210   2HB   LEU  30          HB1       LEU  30  -0.141   2.898   7.375
  211    HG   LEU  30           HG       LEU  30  -2.204   3.874   6.543
  212   1HD1  LEU  30          HD11      LEU  30  -3.129   4.234   8.573
  213   2HD1  LEU  30          HD12      LEU  30  -1.868   5.358   9.077
  214   3HD1  LEU  30          HD13      LEU  30  -1.565   3.621   9.108
  215   1HD2  LEU  30          HD21      LEU  30  -1.524   5.903   5.559
  216   2HD2  LEU  30          HD22      LEU  30  -0.842   6.497   7.072
  217   3HD2  LEU  30          HD23      LEU  30  -2.588   6.334   6.896
  218    H    ILE  31           HN       ILE  31   0.732   2.349   8.957
  219    HA   ILE  31           HA       ILE  31   3.469   2.169   9.794
  220    HB   ILE  31           HB       ILE  31   2.822   0.056  10.838
  221   1HG1  ILE  31          HG12      ILE  31   0.079   0.674   9.730
  222   2HG1  ILE  31          HG11      ILE  31   1.133  -0.652   9.233
  223   1HG2  ILE  31          HG21      ILE  31   0.878   1.210  12.234
  224   2HG2  ILE  31          HG22      ILE  31   1.457   2.625  11.356
  225   3HG2  ILE  31          HG23      ILE  31   2.565   1.704  12.373
  226   1HD1  ILE  31          HD11      ILE  31   0.585  -0.573  12.101
  227   2HD1  ILE  31          HD12      ILE  31   0.533  -1.926  10.970
  228   3HD1  ILE  31          HD13      ILE  31  -0.840  -0.825  11.092
  229    H    SER  32           HN       SER  32   1.449   0.196   7.560
  230    HA   SER  32           HA       SER  32   3.936  -0.542   6.189
  231   1HB   SER  32          HB2       SER  32   1.942  -2.562   7.233
  232   2HB   SER  32          HB1       SER  32   3.284  -2.938   6.149
  233    HG   SER  32           HG       SER  32   3.508  -3.115   8.616
  234    H    GLY  33           HN       GLY  33   3.487  -1.911   4.198
  235   1HA   GLY  33          HA2       GLY  33   0.910  -1.415   2.905
  236   2HA   GLY  33          HA1       GLY  33   2.309  -0.624   2.183
  237    H    THR  34           HN       THR  34   0.369  -3.176   1.761
  238    HA   THR  34           HA       THR  34   2.548  -4.955   0.859
  239    HB   THR  34           HB       THR  34  -0.308  -5.664   1.559
  240    HG1  THR  34           HG1      THR  34   0.434  -5.897   3.499
  241   1HG2  THR  34          HG21      THR  34   0.298  -7.328   0.059
  242   2HG2  THR  34          HG22      THR  34   0.726  -8.012   1.628
  243   3HG2  THR  34          HG23      THR  34   1.980  -7.331   0.593
  244    H    CYS  35           HN       CYS  35   2.260  -6.138  -1.110
  245    HA   CYS  35           HA       CYS  35   0.865  -4.561  -3.129
  246   1HB   CYS  35          HB2       CYS  35   2.939  -6.732  -3.318
  247   2HB   CYS  35          HB1       CYS  35   2.065  -6.151  -4.731
  248    H    HIS  36           HN       HIS  36  -0.843  -5.168  -4.214
  249    HA   HIS  36           HA       HIS  36  -1.844  -7.922  -3.880
  250   1HB   HIS  36          HB2       HIS  36  -3.364  -5.305  -3.959
  251   2HB   HIS  36          HB1       HIS  36  -4.150  -6.859  -4.200
  252    HD1  HIS  36           HD1      HIS  36  -3.628  -8.612  -2.080
  253    HD2  HIS  36           HD2      HIS  36  -3.356  -4.535  -1.364
  254    HE1  HIS  36           HE1      HIS  36  -3.846  -8.351   0.413
  255    HE2  HIS  36           HE2      HIS  36  -3.855  -5.860   0.806
  256    H    ASN  37           HN       ASN  37  -3.951  -7.438  -5.906
  257    HA   ASN  37           HA       ASN  37  -2.551  -8.246  -8.188
  258   1HB   ASN  37          HB2       ASN  37  -5.352  -7.113  -7.989
  259   2HB   ASN  37          HB1       ASN  37  -4.694  -7.937  -9.403
  260   1HD2  ASN  37          HD21      ASN  37  -6.646  -8.361  -6.870
  261   2HD2  ASN  37          HD22      ASN  37  -6.455 -10.056  -6.607
  262    H    TRP  38           HN       TRP  38  -0.896  -6.660  -8.344
  263    HA   TRP  38           HA       TRP  38   0.164  -4.870  -9.280
  264   1HB   TRP  38          HB2       TRP  38  -2.317  -4.967 -10.968
  265   2HB   TRP  38          HB1       TRP  38  -1.119  -3.708 -11.208
  266    HD1  TRP  38           HD1      TRP  38   0.211  -4.258 -13.261
  267    HE1  TRP  38           HE1      TRP  38   1.283  -6.350 -14.301
  268    HE3  TRP  38           HE3      TRP  38  -1.395  -7.766  -9.901
  269    HZ2  TRP  38           HZ2      TRP  38   1.427  -9.104 -13.780
  270    HZ3  TRP  38           HZ3      TRP  38  -0.747 -10.106 -10.255
  271    HH2  TRP  38           HH2      TRP  38   0.632 -10.764 -12.156
  272    H    LYS  39           HN       LYS  39  -1.357  -4.418  -6.888
  273    HA   LYS  39           HA       LYS  39  -1.707  -1.528  -7.149
  274   1HB   LYS  39          HB2       LYS  39  -3.803  -3.362  -5.978
  275   2HB   LYS  39          HB1       LYS  39  -3.856  -1.603  -5.929
  276   1HG   LYS  39          HG2       LYS  39  -4.024  -1.490  -8.321
  277   2HG   LYS  39          HG1       LYS  39  -3.791  -3.233  -8.454
  278   1HD   LYS  39          HD2       LYS  39  -5.894  -3.572  -7.193
  279   2HD   LYS  39          HD1       LYS  39  -6.133  -1.824  -7.174
  280   1HE   LYS  39          HE2       LYS  39  -7.434  -2.881  -8.953
  281   2HE   LYS  39          HE1       LYS  39  -6.210  -1.790  -9.608
  282   1HZ   LYS  39          HZ1       LYS  39  -6.319  -3.907 -10.823
  283   2HZ   LYS  39          HZ2       LYS  39  -5.924  -4.748  -9.409
  284   3HZ   LYS  39          HZ3       LYS  39  -4.804  -3.686 -10.097
  285    H    CYS  40           HN       CYS  40  -1.729  -0.400  -5.070
  286    HA   CYS  40           HA       CYS  40  -0.305  -1.925  -3.005
  287   1HB   CYS  40          HB2       CYS  40   0.019   0.892  -3.967
  288   2HB   CYS  40          HB1       CYS  40   0.487   0.449  -2.328
  289    H    PHE  41           HN       PHE  41  -1.406  -2.317  -1.273
  290    HA   PHE  41           HA       PHE  41  -3.436  -0.371  -0.391
  291   1HB   PHE  41          HB2       PHE  41  -3.268  -3.352   0.142
  292   2HB   PHE  41          HB1       PHE  41  -4.464  -2.270   0.857
  293    HD1  PHE  41           HD1      PHE  41  -6.524  -2.651  -0.013
  294    HD2  PHE  41           HD2      PHE  41  -3.173  -2.739  -2.629
  295    HE1  PHE  41           HE1      PHE  41  -8.025  -3.047  -1.924
  296    HE2  PHE  41           HE2      PHE  41  -4.666  -3.131  -4.536
  297    HZ   PHE  41           HZ       PHE  41  -7.094  -3.284  -4.191
  298    H    CYS  42           HN       CYS  42  -3.277   0.456   1.632
  299    HA   CYS  42           HA       CYS  42  -0.870  -0.284   3.147
  300   1HB   CYS  42          HB2       CYS  42  -2.562   2.229   3.302
  301   2HB   CYS  42          HB1       CYS  42  -1.030   1.950   4.116
  302    H    THR  43           HN       THR  43  -1.124  -0.122   5.581
  303    HA   THR  43           HA       THR  43  -3.727  -1.244   6.354
  304    HB   THR  43           HB       THR  43  -2.476  -2.154   8.309
  305    HG1  THR  43           HG1      THR  43  -0.481  -1.647   8.617
  306   1HG2  THR  43          HG21      THR  43  -2.476  -3.939   6.988
  307   2HG2  THR  43          HG22      THR  43  -0.797  -3.518   6.648
  308   3HG2  THR  43          HG23      THR  43  -2.078  -2.990   5.557
  309    H    GLN  44           HN       GLN  44  -4.963  -0.277   7.830
  310    HA   GLN  44           HA       GLN  44  -3.863   1.799   9.559
  311   1HB   GLN  44          HB2       GLN  44  -4.446   3.042   7.583
  312   2HB   GLN  44          HB1       GLN  44  -6.028   2.278   7.508
  313   1HG   GLN  44          HG2       GLN  44  -6.668   3.396   9.585
  314   2HG   GLN  44          HG1       GLN  44  -5.078   4.153   9.666
  315   1HE2  GLN  44          HE21      GLN  44  -5.194   6.202   9.140
  316   2HE2  GLN  44          HE22      GLN  44  -6.167   6.882   7.888
  317    H    ASN  45           HN       ASN  45  -4.607   1.437  11.538
  318    HA   ASN  45           HA       ASN  45  -6.670  -0.375  12.142
  319   1HB   ASN  45          HB2       ASN  45  -5.562   1.828  13.902
  320   2HB   ASN  45          HB1       ASN  45  -6.464   0.415  14.443
  321   1HD2  ASN  45          HD21      ASN  45  -3.509   1.652  14.344
  322   2HD2  ASN  45          HD22      ASN  45  -2.561   0.212  14.254
  323    H    CYS  46           HN       CYS  46  -8.813  -0.147  12.539
  324    HA   CYS  46           HA       CYS  46 -10.028   2.448  12.902
  325   1HB   CYS  46          HB2       CYS  46 -11.530   2.275  10.960
  326   2HB   CYS  46          HB1       CYS  46  -9.848   2.374  10.452
  Start of MODEL   20
    1   1H    LYS   1          HT1       LYS   1 -10.464  -6.702  11.771
    2   2H    LYS   1          HT2       LYS   1 -10.889  -7.332  13.279
    3   3H    LYS   1          HT3       LYS   1  -9.320  -6.760  13.020
    4    HA   LYS   1           HA       LYS   1 -11.745  -5.054  12.880
    5   1HB   LYS   1          HB2       LYS   1  -9.772  -5.448  15.148
    6   2HB   LYS   1          HB1       LYS   1 -11.022  -4.215  15.111
    7   1HG   LYS   1          HG2       LYS   1 -12.734  -5.993  15.053
    8   2HG   LYS   1          HG1       LYS   1 -11.450  -7.199  15.179
    9   1HD   LYS   1          HD2       LYS   1 -10.754  -6.227  17.322
   10   2HD   LYS   1          HD1       LYS   1 -12.042  -5.029  17.196
   11   1HE   LYS   1          HE2       LYS   1 -12.751  -6.786  18.673
   12   2HE   LYS   1          HE1       LYS   1 -13.697  -6.873  17.187
   13   1HZ   LYS   1          HZ1       LYS   1 -12.317  -8.689  16.428
   14   2HZ   LYS   1          HZ2       LYS   1 -12.937  -9.063  17.956
   15   3HZ   LYS   1          HZ3       LYS   1 -11.328  -8.569  17.796
   16    H    THR   2           HN       THR   2  -9.954  -4.875  10.843
   17    HA   THR   2           HA       THR   2  -8.704  -2.290  11.353
   18    HB   THR   2           HB       THR   2  -6.599  -3.027  10.204
   19    HG1  THR   2           HG1      THR   2  -6.384  -5.480  10.509
   20   1HG2  THR   2          HG21      THR   2  -6.259  -2.859  12.480
   21   2HG2  THR   2          HG22      THR   2  -5.787  -4.522  12.140
   22   3HG2  THR   2          HG23      THR   2  -7.363  -4.185  12.849
   23    H    CYS   3           HN       CYS   3  -8.537  -0.982   9.546
   24    HA   CYS   3           HA       CYS   3  -9.825  -2.053   7.118
   25   1HB   CYS   3          HB2       CYS   3 -10.431   0.387   6.706
   26   2HB   CYS   3          HB1       CYS   3 -11.235  -0.394   8.064
   27    H    GLU   4           HN       GLU   4  -8.775  -1.976   5.216
   28    HA   GLU   4           HA       GLU   4  -6.203  -0.545   5.142
   29   1HB   GLU   4          HB2       GLU   4  -7.118  -2.947   3.546
   30   2HB   GLU   4          HB1       GLU   4  -5.622  -2.078   3.244
   31   1HG   GLU   4          HG2       GLU   4  -4.949  -2.626   5.601
   32   2HG   GLU   4          HG1       GLU   4  -6.359  -3.677   5.680
   33    H    HIS   5           HN       HIS   5  -5.615   0.566   3.222
   34    HA   HIS   5           HA       HIS   5  -7.831   1.180   1.395
   35   1HB   HIS   5          HB2       HIS   5  -6.063   3.244   2.731
   36   2HB   HIS   5          HB1       HIS   5  -7.273   3.582   1.498
   37    HD1  HIS   5           HD1      HIS   5  -9.753   2.396   2.357
   38    HD2  HIS   5           HD2      HIS   5  -7.062   3.870   5.152
   39    HE1  HIS   5           HE1      HIS   5 -11.101   2.778   4.446
   40    HE2  HIS   5           HE2      HIS   5  -9.409   3.503   6.170
   41    H    LEU   6           HN       LEU   6  -7.283   1.349  -0.685
   42    HA   LEU   6           HA       LEU   6  -4.539   0.786  -1.439
   43   1HB   LEU   6          HB2       LEU   6  -6.331  -0.442  -2.509
   44   2HB   LEU   6          HB1       LEU   6  -7.091   1.048  -3.042
   45    HG   LEU   6           HG       LEU   6  -4.427  -0.007  -4.012
   46   1HD1  LEU   6          HD11      LEU   6  -6.424   0.143  -6.023
   47   2HD1  LEU   6          HD12      LEU   6  -7.089  -0.751  -4.656
   48   3HD1  LEU   6          HD13      LEU   6  -5.586  -1.281  -5.408
   49   1HD2  LEU   6          HD21      LEU   6  -5.409   1.782  -5.857
   50   2HD2  LEU   6          HD22      LEU   6  -4.133   2.107  -4.685
   51   3HD2  LEU   6          HD23      LEU   6  -5.800   2.551  -4.319
   52    H    ALA   7           HN       ALA   7  -3.136   2.226  -2.254
   53    HA   ALA   7           HA       ALA   7  -3.953   5.018  -2.278
   54   1HB   ALA   7          HB1       ALA   7  -1.370   3.584  -2.092
   55   2HB   ALA   7          HB2       ALA   7  -1.994   4.939  -1.154
   56   3HB   ALA   7          HB3       ALA   7  -1.357   5.211  -2.776
   57    H    ASP   8           HN       ASP   8  -4.464   6.108  -4.000
   58    HA   ASP   8           HA       ASP   8  -4.265   4.987  -6.626
   59   1HB   ASP   8          HB2       ASP   8  -5.248   7.686  -5.699
   60   2HB   ASP   8          HB1       ASP   8  -5.436   7.045  -7.326
   61    H    THR   9           HN       THR   9  -2.064   6.841  -4.820
   62    HA   THR   9           HA       THR   9  -0.850   7.919  -7.283
   63    HB   THR   9           HB       THR   9  -1.258   9.636  -5.565
   64    HG1  THR   9           HG1      THR   9   0.630   9.848  -6.842
   65   1HG2  THR   9          HG21      THR   9   0.267   7.777  -3.806
   66   2HG2  THR   9          HG22      THR   9  -1.196   8.702  -3.471
   67   3HG2  THR   9          HG23      THR   9   0.364   9.518  -3.548
   68    H    TYR  10           HN       TYR  10  -0.486   5.477  -7.409
   69    HA   TYR  10           HA       TYR  10   2.015   4.716  -6.065
   70   1HB   TYR  10          HB2       TYR  10   0.015   3.298  -5.662
   71   2HB   TYR  10          HB1       TYR  10  -0.115   3.003  -7.387
   72    HD1  TYR  10           HD1      TYR  10   0.212   0.721  -7.624
   73    HD2  TYR  10           HD2      TYR  10   2.912   2.965  -5.220
   74    HE1  TYR  10           HE1      TYR  10   1.669  -1.247  -7.433
   75    HE2  TYR  10           HE2      TYR  10   4.373   0.994  -5.022
   76    HH   TYR  10           HH       TYR  10   3.373  -2.092  -5.824
   77    H    ARG  11           HN       ARG  11   2.681   2.638  -8.017
   78    HA   ARG  11           HA       ARG  11   3.584   4.314 -10.233
   79   1HB   ARG  11          HB2       ARG  11   4.781   1.691  -9.379
   80   2HB   ARG  11          HB1       ARG  11   5.530   2.982 -10.305
   81   1HG   ARG  11          HG2       ARG  11   5.443   4.401  -8.241
   82   2HG   ARG  11          HG1       ARG  11   4.892   2.976  -7.355
   83   1HD   ARG  11          HD2       ARG  11   7.306   3.267  -7.115
   84   2HD   ARG  11          HD1       ARG  11   6.934   1.785  -8.005
   85    HE   ARG  11           HE       ARG  11   7.324   3.896  -9.828
   86   1HH1  ARG  11          HH11      ARG  11   9.190   1.917  -7.645
   87   2HH1  ARG  11          HH12      ARG  11  10.638   2.063  -8.573
   88   1HH2  ARG  11          HH21      ARG  11   9.203   4.077 -11.024
   89   2HH2  ARG  11          HH22      ARG  11  10.645   3.284 -10.496
   90    H    GLY  12           HN       GLY  12   4.466   1.661 -11.476
   91   1HA   GLY  12          HA2       GLY  12   1.918   1.109 -12.836
   92   2HA   GLY  12          HA1       GLY  12   3.522   0.747 -13.467
   93    H    VAL  13           HN       VAL  13   4.408  -1.236 -13.098
   94    HA   VAL  13           HA       VAL  13   2.664  -3.236 -11.890
   95    HB   VAL  13           HB       VAL  13   5.282  -3.595 -13.360
   96   1HG1  VAL  13          HG11      VAL  13   3.266  -5.549 -12.292
   97   2HG1  VAL  13          HG12      VAL  13   5.010  -5.509 -12.035
   98   3HG1  VAL  13          HG13      VAL  13   4.361  -5.965 -13.610
   99   1HG2  VAL  13          HG21      VAL  13   2.429  -3.833 -14.308
  100   2HG2  VAL  13          HG22      VAL  13   3.834  -4.378 -15.222
  101   3HG2  VAL  13          HG23      VAL  13   3.636  -2.667 -14.846
  102    H    CYS  14           HN       CYS  14   3.198  -4.554 -10.149
  103    HA   CYS  14           HA       CYS  14   5.395  -3.545  -8.465
  104   1HB   CYS  14          HB2       CYS  14   3.251  -3.560  -7.352
  105   2HB   CYS  14          HB1       CYS  14   3.005  -5.259  -7.761
  106    H    PHE  15           HN       PHE  15   6.991  -4.849  -7.612
  107    HA   PHE  15           HA       PHE  15   7.113  -7.604  -8.636
  108   1HB   PHE  15          HB2       PHE  15   9.453  -5.698  -8.364
  109   2HB   PHE  15          HB1       PHE  15   9.554  -7.383  -8.870
  110    HD1  PHE  15           HD1      PHE  15   7.558  -4.362  -9.833
  111    HD2  PHE  15           HD2      PHE  15   9.875  -7.696 -11.107
  112    HE1  PHE  15           HE1      PHE  15   7.232  -3.686 -12.172
  113    HE2  PHE  15           HE2      PHE  15   9.556  -7.022 -13.453
  114    HZ   PHE  15           HZ       PHE  15   8.233  -5.016 -13.987
  115    H    THR  16           HN       THR  16   8.499  -5.433  -6.137
  116    HA   THR  16           HA       THR  16   8.541  -7.759  -4.316
  117    HB   THR  16           HB       THR  16  10.434  -6.736  -3.157
  118    HG1  THR  16           HG1      THR  16  11.279  -4.818  -3.784
  119   1HG2  THR  16          HG21      THR  16  11.478  -6.430  -5.867
  120   2HG2  THR  16          HG22      THR  16  10.618  -7.944  -5.584
  121   3HG2  THR  16          HG23      THR  16  11.987  -7.503  -4.563
  122    H    ASN  17           HN       ASN  17   7.767  -7.521  -2.232
  123    HA   ASN  17           HA       ASN  17   5.610  -5.930  -1.722
  124   1HB   ASN  17          HB2       ASN  17   7.588  -7.050   0.273
  125   2HB   ASN  17          HB1       ASN  17   5.989  -6.440   0.684
  126   1HD2  ASN  17          HD21      ASN  17   4.594  -8.005   1.022
  127   2HD2  ASN  17          HD22      ASN  17   4.540  -9.516   0.189
  128    H    ALA  18           HN       ALA  18   8.983  -5.016  -1.289
  129    HA   ALA  18           HA       ALA  18   8.758  -2.882   0.459
  130   1HB   ALA  18          HB1       ALA  18  10.903  -2.427  -0.049
  131   2HB   ALA  18          HB2       ALA  18  10.624  -2.488  -1.789
  132   3HB   ALA  18          HB3       ALA  18  10.807  -3.983  -0.871
  133    H    SER  19           HN       SER  19   8.066  -2.918  -3.018
  134    HA   SER  19           HA       SER  19   8.000  -0.220  -3.570
  135   1HB   SER  19          HB2       SER  19   6.371  -0.730  -5.339
  136   2HB   SER  19          HB1       SER  19   7.659  -1.936  -5.281
  137    HG   SER  19           HG       SER  19   4.959  -2.171  -4.655
  138    H    CYS  20           HN       CYS  20   5.413  -2.120  -2.010
  139    HA   CYS  20           HA       CYS  20   3.660   0.170  -1.870
  140   1HB   CYS  20          HB2       CYS  20   3.460  -2.598  -0.706
  141   2HB   CYS  20          HB1       CYS  20   2.238  -1.360  -0.461
  142    H    ASP  21           HN       ASP  21   5.620  -1.682   0.460
  143    HA   ASP  21           HA       ASP  21   4.847  -0.466   2.813
  144   1HB   ASP  21          HB2       ASP  21   6.425  -2.381   2.611
  145   2HB   ASP  21          HB1       ASP  21   7.674  -1.267   2.068
  146    H    ASP  22           HN       ASP  22   7.738   0.499   0.948
  147    HA   ASP  22           HA       ASP  22   8.315   2.927   2.185
  148   1HB   ASP  22          HB2       ASP  22   9.776   1.868   0.511
  149   2HB   ASP  22          HB1       ASP  22   8.584   2.168  -0.745
  150    H    HIS  23           HN       HIS  23   6.442   2.354  -0.714
  151    HA   HIS  23           HA       HIS  23   5.478   4.838  -1.340
  152   1HB   HIS  23          HB2       HIS  23   5.147   2.958  -2.768
  153   2HB   HIS  23          HB1       HIS  23   4.274   2.083  -1.540
  154    HD1  HIS  23           HD1      HIS  23   3.525   5.593  -2.733
  155    HD2  HIS  23           HD2      HIS  23   1.939   1.781  -2.853
  156    HE1  HIS  23           HE1      HIS  23   1.192   5.862  -3.648
  157    HE2  HIS  23           HE2      HIS  23   0.203   3.549  -3.587
  158    H    CYS  24           HN       CYS  24   3.730   2.443   0.646
  159    HA   CYS  24           HA       CYS  24   1.660   4.139   1.439
  160   1HB   CYS  24          HB2       CYS  24   2.886   1.715   2.710
  161   2HB   CYS  24          HB1       CYS  24   1.623   2.614   3.542
  162    H    LYS  25           HN       LYS  25   4.733   3.476   3.152
  163    HA   LYS  25           HA       LYS  25   4.313   5.122   5.361
  164   1HB   LYS  25          HB2       LYS  25   6.894   4.415   3.963
  165   2HB   LYS  25          HB1       LYS  25   6.816   5.231   5.519
  166   1HG   LYS  25          HG2       LYS  25   5.773   3.327   6.537
  167   2HG   LYS  25          HG1       LYS  25   5.613   2.524   4.974
  168   1HD   LYS  25          HD2       LYS  25   8.037   2.372   4.778
  169   2HD   LYS  25          HD1       LYS  25   8.231   3.241   6.304
  170   1HE   LYS  25          HE2       LYS  25   7.293   1.462   7.545
  171   2HE   LYS  25          HE1       LYS  25   6.691   0.669   6.091
  172   1HZ   LYS  25          HZ1       LYS  25   9.587   1.059   6.618
  173   2HZ   LYS  25          HZ2       LYS  25   8.855   0.047   5.445
  174   3HZ   LYS  25          HZ3       LYS  25   8.738  -0.330   7.100
  175    H    ASN  26           HN       ASN  26   5.796   5.972   2.253
  176    HA   ASN  26           HA       ASN  26   6.278   8.696   3.028
  177   1HB   ASN  26          HB2       ASN  26   6.556   7.192   0.439
  178   2HB   ASN  26          HB1       ASN  26   6.913   8.897   0.566
  179   1HD2  ASN  26          HD21      ASN  26   8.257   6.077   0.451
  180   2HD2  ASN  26          HD22      ASN  26   9.682   6.377   1.371
  181    H    LYS  27           HN       LYS  27   3.843   7.096   0.990
  182    HA   LYS  27           HA       LYS  27   2.669   9.598   0.166
  183   1HB   LYS  27          HB2       LYS  27   1.648   6.762  -0.013
  184   2HB   LYS  27          HB1       LYS  27   0.842   8.149  -0.729
  185   1HG   LYS  27          HG2       LYS  27   3.625   7.240  -1.417
  186   2HG   LYS  27          HG1       LYS  27   2.170   6.823  -2.322
  187   1HD   LYS  27          HD2       LYS  27   1.779   9.292  -2.629
  188   2HD   LYS  27          HD1       LYS  27   3.384   9.553  -1.943
  189   1HE   LYS  27          HE2       LYS  27   4.411   8.289  -3.714
  190   2HE   LYS  27          HE1       LYS  27   2.835   7.823  -4.348
  191   1HZ   LYS  27          HZ1       LYS  27   4.153   9.797  -5.400
  192   2HZ   LYS  27          HZ2       LYS  27   3.466  10.679  -4.129
  193   3HZ   LYS  27          HZ3       LYS  27   2.461   9.879  -5.241
  194    H    ALA  28           HN       ALA  28   1.440   6.939   2.211
  195    HA   ALA  28           HA       ALA  28  -0.159   8.930   3.676
  196   1HB   ALA  28          HB1       ALA  28  -0.933   6.164   2.777
  197   2HB   ALA  28          HB2       ALA  28  -1.729   7.698   2.422
  198   3HB   ALA  28          HB3       ALA  28  -1.798   7.025   4.051
  199    H    HIS  29           HN       HIS  29   1.594   9.083   5.070
  200    HA   HIS  29           HA       HIS  29   3.183   7.569   6.452
  201   1HB   HIS  29          HB2       HIS  29   2.884   9.980   6.815
  202   2HB   HIS  29          HB1       HIS  29   1.427   9.655   7.753
  203    HD1  HIS  29           HD1      HIS  29   5.079   8.574   7.900
  204    HD2  HIS  29           HD2      HIS  29   1.947   9.679  10.397
  205    HE1  HIS  29           HE1      HIS  29   6.033   8.544  10.231
  206    HE2  HIS  29           HE2      HIS  29   4.129   9.258  11.723
  207    H    LEU  30           HN       LEU  30   2.086   5.493   6.383
  208    HA   LEU  30           HA       LEU  30   0.617   4.950   8.886
  209   1HB   LEU  30          HB2       LEU  30   0.203   3.924   6.132
  210   2HB   LEU  30          HB1       LEU  30  -0.025   2.781   7.443
  211    HG   LEU  30           HG       LEU  30  -2.142   3.770   6.768
  212   1HD1  LEU  30          HD11      LEU  30  -1.037   3.961   9.441
  213   2HD1  LEU  30          HD12      LEU  30  -2.605   3.365   8.902
  214   3HD1  LEU  30          HD13      LEU  30  -2.364   5.091   9.179
  215   1HD2  LEU  30          HD21      LEU  30  -1.514   5.872   5.890
  216   2HD2  LEU  30          HD22      LEU  30  -0.789   6.374   7.416
  217   3HD2  LEU  30          HD23      LEU  30  -2.537   6.196   7.288
  218    H    ILE  31           HN       ILE  31   0.815   2.276   9.157
  219    HA   ILE  31           HA       ILE  31   3.542   1.973   9.885
  220    HB   ILE  31           HB       ILE  31   2.892  -0.248  10.727
  221   1HG1  ILE  31          HG12      ILE  31   0.130   0.566   9.814
  222   2HG1  ILE  31          HG11      ILE  31   1.105  -0.741   9.143
  223   1HG2  ILE  31          HG21      ILE  31   1.484   0.621  12.540
  224   2HG2  ILE  31          HG22      ILE  31   1.185   2.076  11.590
  225   3HG2  ILE  31          HG23      ILE  31   2.817   1.708  12.150
  226   1HD1  ILE  31          HD11      ILE  31  -0.375  -0.591  11.712
  227   2HD1  ILE  31          HD12      ILE  31   1.082  -1.582  11.636
  228   3HD1  ILE  31          HD13      ILE  31  -0.266  -1.910  10.547
  229    H    SER  32           HN       SER  32   1.532   0.242   7.467
  230    HA   SER  32           HA       SER  32   3.895  -0.167   5.866
  231   1HB   SER  32          HB2       SER  32   3.918  -2.579   5.853
  232   2HB   SER  32          HB1       SER  32   4.040  -2.028   7.522
  233    HG   SER  32           HG       SER  32   1.980  -2.651   7.904
  234    H    GLY  33           HN       GLY  33   3.223  -1.968   4.050
  235   1HA   GLY  33          HA2       GLY  33   0.507  -1.927   3.160
  236   2HA   GLY  33          HA1       GLY  33   1.464  -0.720   2.307
  237    H    THR  34           HN       THR  34   0.159  -3.379   1.516
  238    HA   THR  34           HA       THR  34   2.568  -4.546   0.262
  239    HB   THR  34           HB       THR  34   0.140  -5.950   1.372
  240    HG1  THR  34           HG1      THR  34   1.480  -6.026   2.985
  241   1HG2  THR  34          HG21      THR  34   0.664  -7.051  -0.716
  242   2HG2  THR  34          HG22      THR  34   1.142  -8.055   0.654
  243   3HG2  THR  34          HG23      THR  34   2.363  -7.162  -0.251
  244    H    CYS  35           HN       CYS  35   2.254  -5.630  -1.788
  245    HA   CYS  35           HA       CYS  35   0.549  -4.129  -3.545
  246   1HB   CYS  35          HB2       CYS  35   2.434  -6.428  -4.069
  247   2HB   CYS  35          HB1       CYS  35   1.531  -5.594  -5.333
  248    H    HIS  36           HN       HIS  36  -1.263  -4.722  -4.587
  249    HA   HIS  36           HA       HIS  36  -2.245  -7.482  -4.307
  250   1HB   HIS  36          HB2       HIS  36  -3.788  -4.970  -3.648
  251   2HB   HIS  36          HB1       HIS  36  -4.552  -6.534  -3.900
  252    HD1  HIS  36           HD1      HIS  36  -3.403  -8.476  -2.225
  253    HD2  HIS  36           HD2      HIS  36  -3.275  -4.502  -1.063
  254    HE1  HIS  36           HE1      HIS  36  -3.048  -8.520   0.261
  255    HE2  HIS  36           HE2      HIS  36  -3.238  -6.105   0.969
  256    H    ASN  37           HN       ASN  37  -1.958  -7.989  -6.455
  257    HA   ASN  37           HA       ASN  37  -2.303  -7.997  -8.721
  258   1HB   ASN  37          HB2       ASN  37  -4.880  -6.672  -7.842
  259   2HB   ASN  37          HB1       ASN  37  -4.592  -7.308  -9.456
  260   1HD2  ASN  37          HD21      ASN  37  -3.007  -9.516  -7.757
  261   2HD2  ASN  37          HD22      ASN  37  -4.287 -10.600  -7.375
  262    H    TRP  38           HN       TRP  38  -0.489  -6.283  -8.496
  263    HA   TRP  38           HA       TRP  38   0.529  -4.399  -9.247
  264   1HB   TRP  38          HB2       TRP  38  -1.856  -4.416 -11.081
  265   2HB   TRP  38          HB1       TRP  38  -0.583  -3.217 -11.209
  266    HD1  TRP  38           HD1      TRP  38   0.913  -3.758 -13.139
  267    HE1  TRP  38           HE1      TRP  38   1.889  -5.871 -14.236
  268    HE3  TRP  38           HE3      TRP  38  -1.238  -7.325 -10.156
  269    HZ2  TRP  38           HZ2      TRP  38   1.765  -8.652 -13.897
  270    HZ3  TRP  38           HZ3      TRP  38  -0.755  -9.689 -10.620
  271    HH2  TRP  38           HH2      TRP  38   0.715 -10.338 -12.455
  272    H    LYS  39           HN       LYS  39  -1.204  -4.136  -6.935
  273    HA   LYS  39           HA       LYS  39  -1.630  -1.240  -7.073
  274   1HB   LYS  39          HB2       LYS  39  -3.665  -3.183  -5.966
  275   2HB   LYS  39          HB1       LYS  39  -3.783  -1.428  -5.908
  276   1HG   LYS  39          HG2       LYS  39  -3.872  -1.345  -8.343
  277   2HG   LYS  39          HG1       LYS  39  -3.730  -3.102  -8.409
  278   1HD   LYS  39          HD2       LYS  39  -5.838  -3.296  -7.140
  279   2HD   LYS  39          HD1       LYS  39  -5.982  -1.538  -7.147
  280   1HE   LYS  39          HE2       LYS  39  -7.370  -2.479  -8.886
  281   2HE   LYS  39          HE1       LYS  39  -6.040  -1.569  -9.603
  282   1HZ   LYS  39          HZ1       LYS  39  -5.709  -3.408 -10.812
  283   2HZ   LYS  39          HZ2       LYS  39  -6.646  -4.379  -9.795
  284   3HZ   LYS  39          HZ3       LYS  39  -5.019  -4.085  -9.418
  285    H    CYS  40           HN       CYS  40  -1.789  -0.239  -4.889
  286    HA   CYS  40           HA       CYS  40  -0.399  -1.876  -2.885
  287   1HB   CYS  40          HB2       CYS  40   0.037   0.972  -3.690
  288   2HB   CYS  40          HB1       CYS  40   0.443   0.425  -2.067
  289    H    PHE  41           HN       PHE  41  -1.471  -2.249  -1.151
  290    HA   PHE  41           HA       PHE  41  -3.577  -0.366  -0.318
  291   1HB   PHE  41          HB2       PHE  41  -3.262  -3.321   0.276
  292   2HB   PHE  41          HB1       PHE  41  -4.503  -2.289   0.979
  293    HD1  PHE  41           HD1      PHE  41  -3.283  -2.481  -2.554
  294    HD2  PHE  41           HD2      PHE  41  -6.492  -3.089   0.172
  295    HE1  PHE  41           HE1      PHE  41  -4.777  -2.994  -4.434
  296    HE2  PHE  41           HE2      PHE  41  -7.992  -3.602  -1.704
  297    HZ   PHE  41           HZ       PHE  41  -7.136  -3.554  -4.014
  298    H    CYS  42           HN       CYS  42  -3.448   0.529   1.689
  299    HA   CYS  42           HA       CYS  42  -1.023  -0.115   3.220
  300   1HB   CYS  42          HB2       CYS  42  -2.771   2.358   3.310
  301   2HB   CYS  42          HB1       CYS  42  -1.253   2.124   4.163
  302    H    THR  43           HN       THR  43  -1.221  -0.142   5.582
  303    HA   THR  43           HA       THR  43  -3.831  -1.214   6.395
  304    HB   THR  43           HB       THR  43  -2.565  -2.331   8.184
  305    HG1  THR  43           HG1      THR  43  -0.893  -0.778   8.373
  306   1HG2  THR  43          HG21      THR  43  -0.871  -2.974   5.867
  307   2HG2  THR  43          HG22      THR  43  -2.612  -3.153   5.646
  308   3HG2  THR  43          HG23      THR  43  -1.791  -4.036   6.932
  309    H    GLN  44           HN       GLN  44  -5.075   0.020   7.631
  310    HA   GLN  44           HA       GLN  44  -3.777   1.933   9.446
  311   1HB   GLN  44          HB2       GLN  44  -4.627   3.167   7.558
  312   2HB   GLN  44          HB1       GLN  44  -6.195   2.385   7.694
  313   1HG   GLN  44          HG2       GLN  44  -6.601   3.497   9.805
  314   2HG   GLN  44          HG1       GLN  44  -4.996   4.226   9.755
  315   1HE2  GLN  44          HE21      GLN  44  -5.115   6.296   9.279
  316   2HE2  GLN  44          HE22      GLN  44  -6.197   7.021   8.147
  317    H    ASN  45           HN       ASN  45  -4.440   1.951  11.477
  318    HA   ASN  45           HA       ASN  45  -6.315  -0.020  12.387
  319   1HB   ASN  45          HB2       ASN  45  -4.851   2.162  13.893
  320   2HB   ASN  45          HB1       ASN  45  -5.704   0.807  14.622
  321   1HD2  ASN  45          HD21      ASN  45  -4.347  -0.663  15.353
  322   2HD2  ASN  45          HD22      ASN  45  -2.865  -1.136  14.603
  323    H    CYS  46           HN       CYS  46  -8.439   0.262  12.749
  324    HA   CYS  46           HA       CYS  46  -9.492   2.900  13.402
  325   1HB   CYS  46          HB2       CYS  46 -11.261   2.728  11.663
  326   2HB   CYS  46          HB1       CYS  46  -9.649   2.885  10.971