*HEADER    METAL BINDING PROTEIN                   11-MAR-09   2KGG              
*TITLE     SOLUTION STRUCTURE OF JARID1A C-TERMINAL PHD FINGER                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HISTONE DEMETHYLASE JARID1A;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: PHD-TYPE C-TERMINAL ZINC FINGER;                           
*COMPND   5 SYNONYM: JUMONJI/ARID DOMAIN-CONTAINING PROTEIN 1A,                  
*COMPND   6 RETINOBLASTOMA-BINDING PROTEIN 2, RBBP-2;                            
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: JARID1A, RBBP2, RBP2;                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: ROSETTA 2(DE3);                            
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PRSFDUET-1                                
*KEYWDS    PHD FINGER, JARID1A, HISTONE MODIFICATION, LEUKEMIA,                  
*KEYWDS   2 ALTERNATIVE SPLICING, CHROMATIN REGULATOR, DEVELOPMENTAL             
*KEYWDS   3 PROTEIN, DIOXYGENASE, IRON, METAL-BINDING, NUCLEUS,                  
*KEYWDS   4 OXIDOREDUCTASE, PHOSPHOPROTEIN, POLYMORPHISM, TRANSCRIPTION,         
*KEYWDS   5 TRANSCRIPTION REGULATION, ZINC, ZINC-FINGER, METAL BINDING           
*KEYWDS   6 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    J.SONG, Z.WANG, D.J.PATEL                                             
*REVDAT   1   05-MAY-09 2KGG    0                                                



! Converted from PHD3.noe (AQUA version 3.2)
assign (resid   2 and name HA   ) (resid   2 and name HB   )    0.000    0.000    4.540
assign (resid   2 and name HA   ) (resid   2 and name HG1# )    0.000    0.000    3.880
assign (resid   2 and name HA   ) (resid   2 and name HG2# )    0.000    0.000    4.310
assign (resid   2 and name HA   ) (resid  30 and name HE1  )    0.000    0.000    4.920
assign (resid   2 and name HA   ) (resid   3 and name HN   )    0.000    0.000    3.950
assign (resid   2 and name HB   ) (resid   2 and name HG1# )    0.000    0.000    3.490
assign (resid   2 and name HB   ) (resid   3 and name HN   )    0.000    0.000    5.030
assign (resid   2 and name HG1# ) (resid  10 and name HD2  )    0.000    0.000    4.880
assign (resid   2 and name HG1# ) (resid   3 and name HN   )    0.000    0.000    4.440
assign (resid   2 and name HG1# ) (resid   8 and name HB1  )    0.000    0.000    5.090
assign (resid   2 and name HG1# ) (resid   8 and name HB2  )    0.000    0.000    4.440
assign (resid   2 and name HG2# ) (resid  10 and name HD2  )    0.000    0.000    4.760
assign (resid   2 and name HG2# ) (resid   2 and name HB   )    0.000    0.000    3.760
assign (resid   2 and name HN   ) (resid   2 and name HB   )    0.000    0.000    5.500
assign (resid   3 and name HA   ) (resid  18 and name HH2  )    0.000    0.000    5.500
assign (resid   3 and name HA   ) (resid  18 and name HZ3  )    0.000    0.000    5.500
assign (resid   3 and name HA   ) (resid   3 and name HB2  )    0.000    0.000    4.760
assign (resid   3 and name HA   ) (resid   4 and name HN   )    0.000    0.000    4.320
assign (resid   3 and name HB1  ) (resid  30 and name HN   )    0.000    0.000    5.050
assign (resid   3 and name HB1  ) (resid   3 and name HB2  )    0.000    0.000    4.270
assign (resid   3 and name HB1  ) (resid   4 and name HN   )    0.000    0.000    5.150
assign (resid   3 and name HB2  ) (resid  30 and name HN   )    0.000    0.000    4.600
assign (resid   3 and name HB2  ) (resid   4 and name HN   )    0.000    0.000    5.500
assign (resid   3 and name HN   ) (resid  30 and name HE1  )    0.000    0.000    5.500
assign (resid   3 and name HN   ) (resid   3 and name HB1  )    0.000    0.000    5.500
assign (resid   3 and name HN   ) (resid   3 and name HB2  )    0.000    0.000    5.500
assign (resid   3 and name HN   ) (resid   8 and name HB1  )    0.000    0.000    5.460
assign (resid   3 and name HN   ) (resid   8 and name HB2  )    0.000    0.000    5.500
assign (resid   4 and name HA   ) (resid   4 and name HB#  )    0.000    0.000    3.330
assign (resid   4 and name HA   ) (resid   5 and name HN   )    0.000    0.000    5.220
assign (resid   4 and name HB#  ) (resid  27 and name HA   )    0.000    0.000    5.240
assign (resid   4 and name HB#  ) (resid  27 and name HB1  )    0.000    0.000    4.120
assign (resid   4 and name HB#  ) (resid  27 and name HB2  )    0.000    0.000    3.660
assign (resid   4 and name HB#  ) (resid  27 and name HG1  )    0.000    0.000    5.210
assign (resid   4 and name HB#  ) (resid  28 and name HN   )    0.000    0.000    5.070
assign (resid   4 and name HB#  ) (resid  29 and name HZ   )    0.000    0.000    4.050
assign (resid   4 and name HB#  ) (resid   5 and name HN   )    0.000    0.000    4.780
assign (resid   4 and name HN   ) (resid   4 and name HA   )    0.000    0.000    4.540
assign (resid   4 and name HN   ) (resid   4 and name HB#  )    0.000    0.000    3.560
assign (resid   4 and name HN   ) (resid   5 and name HN   )    0.000    0.000    4.950
assign (resid   5 and name HA   ) (resid  29 and name HD#  )    0.000    0.000    3.810
assign (resid   5 and name HA   ) (resid   5 and name HB#  )    0.000    0.000    3.240
assign (resid   5 and name HA   ) (resid   6 and name HN   )    0.000    0.000    3.620
assign (resid   5 and name HB#  ) (resid  29 and name HA   )    0.000    0.000    4.500
assign (resid   5 and name HB#  ) (resid  29 and name HB1  )    0.000    0.000    4.190
assign (resid   5 and name HB#  ) (resid  29 and name HD#  )    0.000    0.000    4.760
assign (resid   5 and name HB#  ) (resid  33 and name HA   )    0.000    0.000    5.220
assign (resid   5 and name HB#  ) (resid  33 and name HB1  )    0.000    0.000    5.040
assign (resid   5 and name HB#  ) (resid  33 and name HB2  )    0.000    0.000    4.540
assign (resid   5 and name HB#  ) (resid  34 and name HG2# )    0.000    0.000    3.590
assign (resid   5 and name HB#  ) (resid  34 and name HN   )    0.000    0.000    5.310
assign (resid   5 and name HB#  ) (resid   6 and name HN   )    0.000    0.000    4.430
assign (resid   5 and name HB#  ) (resid   7 and name HN   )    0.000    0.000    4.420
assign (resid   5 and name HB#  ) (resid   8 and name HA   )    0.000    0.000    3.840
assign (resid   5 and name HB#  ) (resid   8 and name HB1  )    0.000    0.000    4.810
assign (resid   5 and name HB#  ) (resid   8 and name HB2  )    0.000    0.000    4.530
assign (resid   5 and name HB#  ) (resid   8 and name HN   )    0.000    0.000    4.690
assign (resid   5 and name HN   ) (resid  29 and name HD#  )    0.000    0.000    5.200
assign (resid   5 and name HN   ) (resid   5 and name HA   )    0.000    0.000    4.590
assign (resid   5 and name HN   ) (resid   5 and name HB#  )    0.000    0.000    3.450
assign (resid   6 and name HA   ) (resid   6 and name HB1  )    0.000    0.000    3.800
assign (resid   6 and name HA   ) (resid   6 and name HB2  )    0.000    0.000    3.310
assign (resid   6 and name HA   ) (resid   6 and name HG2  )    0.000    0.000    4.500
assign (resid   6 and name HA   ) (resid   7 and name HN   )    0.000    0.000    4.380
assign (resid   6 and name HB1  ) (resid   7 and name HN   )    0.000    0.000    5.310
assign (resid   6 and name HB2  ) (resid  49 and name HD1# )    0.000    0.000    5.480
assign (resid   6 and name HB2  ) (resid   7 and name HN   )    0.000    0.000    4.360
assign (resid   6 and name HE22 ) (resid  49 and name HD1# )    0.000    0.000    5.500
assign (resid   6 and name HG2  ) (resid  49 and name HD1# )    0.000    0.000    5.180
assign (resid   6 and name HG2  ) (resid   6 and name HE21 )    0.000    0.000    5.500
assign (resid   6 and name HG2  ) (resid   7 and name HN   )    0.000    0.000    5.500
assign (resid   6 and name HN   ) (resid   6 and name HA   )    0.000    0.000    4.560
assign (resid   6 and name HN   ) (resid   6 and name HB1  )    0.000    0.000    4.080
assign (resid   6 and name HN   ) (resid   6 and name HB2  )    0.000    0.000    4.590
assign (resid   6 and name HN   ) (resid   6 and name HG2  )    0.000    0.000    4.710
assign (resid   6 and name HN   ) (resid   7 and name HN   )    0.000    0.000    4.780
assign (resid   7 and name HA   ) (resid   7 and name HB2  )    0.000    0.000    3.680
assign (resid   7 and name HB2  ) (resid   7 and name HD21 )    0.000    0.000    4.030
assign (resid   7 and name HB2  ) (resid   7 and name HD22 )    0.000    0.000    5.060
assign (resid   7 and name HN   ) (resid   7 and name HB2  )    0.000    0.000    4.230
assign (resid   7 and name HN   ) (resid   8 and name HN   )    0.000    0.000    4.890
assign (resid   8 and name HA   ) (resid  33 and name HB1  )    0.000    0.000    4.780
assign (resid   8 and name HA   ) (resid  33 and name HB2  )    0.000    0.000    4.140
assign (resid   8 and name HA   ) (resid   8 and name HB1  )    0.000    0.000    4.100
assign (resid   8 and name HA   ) (resid   8 and name HB2  )    0.000    0.000    4.000
assign (resid   8 and name HA   ) (resid   9 and name HN   )    0.000    0.000    3.290
assign (resid   8 and name HB1  ) (resid   8 and name HB2  )    0.000    0.000    2.930
assign (resid   8 and name HB1  ) (resid   9 and name HN   )    0.000    0.000    5.500
assign (resid   8 and name HB2  ) (resid   9 and name HN   )    0.000    0.000    5.100
assign (resid   8 and name HN   ) (resid   8 and name HB1  )    0.000    0.000    4.380
assign (resid   8 and name HN   ) (resid   8 and name HB2  )    0.000    0.000    4.060
assign (resid   9 and name HA   ) (resid  10 and name HN   )    0.000    0.000    5.500
assign (resid   9 and name HA   ) (resid   9 and name HB1  )    0.000    0.000    3.780
assign (resid   9 and name HA   ) (resid   9 and name HB2  )    0.000    0.000    4.100
assign (resid   9 and name HA   ) (resid   9 and name HG2  )    0.000    0.000    3.940
assign (resid   9 and name HB1  ) (resid  32 and name HG1# )    0.000    0.000    5.200
assign (resid   9 and name HB1  ) (resid   9 and name HE22 )    0.000    0.000    5.500
assign (resid   9 and name HB1  ) (resid   9 and name HG2  )    0.000    0.000    3.550
assign (resid   9 and name HB2  ) (resid  11 and name HD2  )    0.000    0.000    4.890
assign (resid   9 and name HB2  ) (resid  32 and name HG1# )    0.000    0.000    4.830
assign (resid   9 and name HB2  ) (resid   9 and name HB1  )    0.000    0.000    2.930
assign (resid   9 and name HB2  ) (resid   9 and name HG2  )    0.000    0.000    3.880
assign (resid   9 and name HE21 ) (resid  32 and name HG1# )    0.000    0.000    4.560
assign (resid   9 and name HE21 ) (resid  32 and name HG2# )    0.000    0.000    5.280
assign (resid   9 and name HE21 ) (resid  33 and name HA   )    0.000    0.000    5.100
assign (resid   9 and name HE21 ) (resid   9 and name HE22 )    0.000    0.000    2.800
assign (resid   9 and name HE22 ) (resid  32 and name HG1# )    0.000    0.000    5.500
assign (resid   9 and name HE22 ) (resid  33 and name HA   )    0.000    0.000    4.360
assign (resid   9 and name HG1  ) (resid  32 and name HG2# )    0.000    0.000    4.970
assign (resid   9 and name HG1  ) (resid   9 and name HE22 )    0.000    0.000    4.210
assign (resid   9 and name HG2  ) (resid  33 and name HA   )    0.000    0.000    4.230
assign (resid   9 and name HG2  ) (resid   9 and name HE21 )    0.000    0.000    5.060
assign (resid   9 and name HG2  ) (resid   9 and name HE22 )    0.000    0.000    4.150
assign (resid   9 and name HN   ) (resid  10 and name HN   )    0.000    0.000    4.370
assign (resid   9 and name HN   ) (resid  33 and name HA   )    0.000    0.000    5.460
assign (resid   9 and name HN   ) (resid  33 and name HB1  )    0.000    0.000    5.500
assign (resid   9 and name HN   ) (resid  33 and name HB2  )    0.000    0.000    5.360
assign (resid   9 and name HN   ) (resid   9 and name HA   )    0.000    0.000    4.520
assign (resid   9 and name HN   ) (resid   9 and name HB1  )    0.000    0.000    4.690
assign (resid   9 and name HN   ) (resid   9 and name HB2  )    0.000    0.000    4.290
assign (resid   9 and name HN   ) (resid   9 and name HG1  )    0.000    0.000    4.420
assign (resid   9 and name HN   ) (resid   9 and name HG2  )    0.000    0.000    4.280
assign (resid  10 and name HA   ) (resid  10 and name HB1  )    0.000    0.000    4.880
assign (resid  10 and name HA   ) (resid  10 and name HB2  )    0.000    0.000    4.160
assign (resid  10 and name HA   ) (resid  10 and name HD2  )    0.000    0.000    5.420
assign (resid  10 and name HA   ) (resid  10 and name HG2  )    0.000    0.000    4.860
assign (resid  10 and name HA   ) (resid  11 and name HD2  )    0.000    0.000    4.110
assign (resid  10 and name HB1  ) (resid  10 and name HD2  )    0.000    0.000    4.100
assign (resid  10 and name HB2  ) (resid  10 and name HB1  )    0.000    0.000    3.600
assign (resid  10 and name HB2  ) (resid  10 and name HD2  )    0.000    0.000    4.600
assign (resid  10 and name HG1  ) (resid  10 and name HD2  )    0.000    0.000    4.220
assign (resid  10 and name HG2  ) (resid  10 and name HD2  )    0.000    0.000    3.480
assign (resid  10 and name HN   ) (resid  10 and name HA   )    0.000    0.000    4.230
assign (resid  10 and name HN   ) (resid  10 and name HG2  )    0.000    0.000    5.240
assign (resid  10 and name HN   ) (resid  11 and name HD2  )    0.000    0.000    4.460
assign (resid  11 and name HB1  ) (resid  11 and name HA   )    0.000    0.000    3.700
assign (resid  11 and name HB2  ) (resid  11 and name HA   )    0.000    0.000    4.150
assign (resid  11 and name HB2  ) (resid  11 and name HB1  )    0.000    0.000    3.250
assign (resid  11 and name HB2  ) (resid  11 and name HD2  )    0.000    0.000    4.970
assign (resid  11 and name HB2  ) (resid  11 and name HG1  )    0.000    0.000    4.970
assign (resid  11 and name HB2  ) (resid  16 and name HG1# )    0.000    0.000    4.720
assign (resid  11 and name HB2  ) (resid  30 and name HE1  )    0.000    0.000    5.500
assign (resid  11 and name HD2  ) (resid  11 and name HA   )    0.000    0.000    4.780
assign (resid  11 and name HD2  ) (resid  11 and name HB1  )    0.000    0.000    4.670
assign (resid  11 and name HD2  ) (resid  30 and name HE1  )    0.000    0.000    5.110
assign (resid  11 and name HG1  ) (resid  11 and name HD2  )    0.000    0.000    4.320
assign (resid  11 and name HG2  ) (resid  11 and name HA   )    0.000    0.000    4.780
assign (resid  11 and name HG2  ) (resid  11 and name HB1  )    0.000    0.000    3.870
assign (resid  11 and name HG2  ) (resid  11 and name HD2  )    0.000    0.000    3.920
assign (resid  11 and name HG2  ) (resid  30 and name HE1  )    0.000    0.000    5.500
assign (resid  12 and name HA   ) (resid  12 and name HB1  )    0.000    0.000    4.200
assign (resid  12 and name HA   ) (resid  12 and name HB2  )    0.000    0.000    3.400
assign (resid  12 and name HA   ) (resid  13 and name HN   )    0.000    0.000    5.500
assign (resid  13 and name HA   ) (resid  13 and name HB1  )    0.000    0.000    4.050
assign (resid  13 and name HA   ) (resid  13 and name HB2  )    0.000    0.000    4.190
assign (resid  13 and name HA   ) (resid  13 and name HG2  )    0.000    0.000    4.670
assign (resid  13 and name HA   ) (resid  14 and name HN   )    0.000    0.000    5.040
assign (resid  13 and name HA   ) (resid  16 and name HG1# )    0.000    0.000    4.850
assign (resid  13 and name HB2  ) (resid  16 and name HG1# )    0.000    0.000    5.310
assign (resid  13 and name HD2  ) (resid  13 and name HE2  )    0.000    0.000    3.760
assign (resid  13 and name HG2  ) (resid  13 and name HD2  )    0.000    0.000    3.340
assign (resid  13 and name HG2  ) (resid  13 and name HE2  )    0.000    0.000    4.100
assign (resid  13 and name HN   ) (resid  13 and name HG2  )    0.000    0.000    4.190
assign (resid  14 and name HA   ) (resid  14 and name HB1  )    0.000    0.000    4.090
assign (resid  14 and name HA   ) (resid  14 and name HB2  )    0.000    0.000    3.700
assign (resid  14 and name HA   ) (resid  15 and name HN   )    0.000    0.000    4.530
assign (resid  14 and name HB1  ) (resid  15 and name HN   )    0.000    0.000    5.190
assign (resid  14 and name HB2  ) (resid  15 and name HN   )    0.000    0.000    4.920
assign (resid  14 and name HN   ) (resid  14 and name HB1  )    0.000    0.000    5.500
assign (resid  14 and name HN   ) (resid  14 and name HB2  )    0.000    0.000    5.500
assign (resid  14 and name HN   ) (resid  15 and name HN   )    0.000    0.000    5.500
assign (resid  15 and name HA   ) (resid  15 and name HB1  )    0.000    0.000    4.610
assign (resid  15 and name HA   ) (resid  15 and name HB2  )    0.000    0.000    4.530
assign (resid  15 and name HA   ) (resid  15 and name HG2  )    0.000    0.000    4.900
assign (resid  15 and name HA   ) (resid  16 and name HN   )    0.000    0.000    3.970
assign (resid  15 and name HN   ) (resid  15 and name HB1  )    0.000    0.000    5.020
assign (resid  15 and name HN   ) (resid  15 and name HB2  )    0.000    0.000    4.840
assign (resid  15 and name HN   ) (resid  15 and name HG2  )    0.000    0.000    5.500
assign (resid  16 and name HA   ) (resid  16 and name HB   )    0.000    0.000    4.410
assign (resid  16 and name HA   ) (resid  16 and name HG1# )    0.000    0.000    4.160
assign (resid  16 and name HA   ) (resid  16 and name HG2# )    0.000    0.000    4.630
assign (resid  16 and name HA   ) (resid  17 and name HN   )    0.000    0.000    3.670
assign (resid  16 and name HB   ) (resid  16 and name HG2# )    0.000    0.000    3.930
assign (resid  16 and name HB   ) (resid  17 and name HN   )    0.000    0.000    5.050
assign (resid  16 and name HB   ) (resid  18 and name HE1  )    0.000    0.000    5.460
assign (resid  16 and name HG1# ) (resid  16 and name HB   )    0.000    0.000    3.710
assign (resid  16 and name HG1# ) (resid  17 and name HN   )    0.000    0.000    4.770
assign (resid  16 and name HG1# ) (resid  18 and name HZ2  )    0.000    0.000    5.200
assign (resid  16 and name HG2# ) (resid  17 and name HN   )    0.000    0.000    5.160
assign (resid  16 and name HG2# ) (resid  18 and name HD1  )    0.000    0.000    5.360
assign (resid  16 and name HG2# ) (resid  18 and name HE1  )    0.000    0.000    4.530
assign (resid  16 and name HG2# ) (resid  31 and name HE21 )    0.000    0.000    5.500
assign (resid  16 and name HG2# ) (resid  31 and name HE22 )    0.000    0.000    5.500
assign (resid  16 and name HN   ) (resid  16 and name HA   )    0.000    0.000    4.820
assign (resid  16 and name HN   ) (resid  16 and name HB   )    0.000    0.000    4.510
assign (resid  16 and name HN   ) (resid  16 and name HG1# )    0.000    0.000    4.430
assign (resid  17 and name HA   ) (resid  17 and name HB2  )    0.000    0.000    4.160
assign (resid  17 and name HA   ) (resid  18 and name HE1  )    0.000    0.000    5.500
assign (resid  17 and name HA   ) (resid  18 and name HN   )    0.000    0.000    4.200
assign (resid  17 and name HB1  ) (resid  17 and name HB2  )    0.000    0.000    3.180
assign (resid  17 and name HB2  ) (resid  18 and name HN   )    0.000    0.000    5.070
assign (resid  17 and name HB2  ) (resid  31 and name HE21 )    0.000    0.000    4.530
assign (resid  17 and name HB2  ) (resid  31 and name HE22 )    0.000    0.000    5.370
assign (resid  17 and name HN   ) (resid  17 and name HA   )    0.000    0.000    5.020
assign (resid  17 and name HN   ) (resid  17 and name HB1  )    0.000    0.000    4.810
assign (resid  17 and name HN   ) (resid  17 and name HB2  )    0.000    0.000    5.190
assign (resid  18 and name HA   ) (resid  18 and name HB1  )    0.000    0.000    4.240
assign (resid  18 and name HA   ) (resid  18 and name HB2  )    0.000    0.000    4.500
assign (resid  18 and name HA   ) (resid  18 and name HE3  )    0.000    0.000    5.000
assign (resid  18 and name HA   ) (resid  19 and name HN   )    0.000    0.000    3.540
assign (resid  18 and name HA   ) (resid  30 and name HA   )    0.000    0.000    4.010
assign (resid  18 and name HA   ) (resid  31 and name HG1  )    0.000    0.000    4.610
assign (resid  18 and name HA   ) (resid  31 and name HG2  )    0.000    0.000    5.500
assign (resid  18 and name HA   ) (resid  31 and name HN   )    0.000    0.000    4.570
assign (resid  18 and name HB1  ) (resid  18 and name HB2  )    0.000    0.000    3.330
assign (resid  18 and name HB1  ) (resid  18 and name HE1  )    0.000    0.000    5.500
assign (resid  18 and name HB1  ) (resid  18 and name HE3  )    0.000    0.000    5.500
assign (resid  18 and name HB1  ) (resid  19 and name HN   )    0.000    0.000    4.670
assign (resid  18 and name HB1  ) (resid  28 and name HE3  )    0.000    0.000    4.130
assign (resid  18 and name HB1  ) (resid  28 and name HZ3  )    0.000    0.000    5.240
assign (resid  18 and name HB2  ) (resid  19 and name HN   )    0.000    0.000    5.140
assign (resid  18 and name HB2  ) (resid  28 and name HE3  )    0.000    0.000    4.360
assign (resid  18 and name HB2  ) (resid  28 and name HZ3  )    0.000    0.000    5.140
assign (resid  18 and name HD1  ) (resid  18 and name HE1  )    0.000    0.000    3.540
assign (resid  18 and name HE1  ) (resid  18 and name HZ2  )    0.000    0.000    5.500
assign (resid  18 and name HE3  ) (resid  28 and name HB1  )    0.000    0.000    4.110
assign (resid  18 and name HE3  ) (resid  29 and name HN   )    0.000    0.000    5.500
assign (resid  18 and name HE3  ) (resid  30 and name HN   )    0.000    0.000    5.440
assign (resid  18 and name HH2  ) (resid  18 and name HZ3  )    0.000    0.000    5.500
assign (resid  18 and name HN   ) (resid  18 and name HA   )    0.000    0.000    5.160
assign (resid  18 and name HN   ) (resid  18 and name HB2  )    0.000    0.000    4.650
assign (resid  18 and name HN   ) (resid  18 and name HD1  )    0.000    0.000    5.500
assign (resid  18 and name HZ2  ) (resid  18 and name HH2  )    0.000    0.000    5.030
assign (resid  18 and name HZ3  ) (resid  18 and name HE3  )    0.000    0.000    5.500
assign (resid  18 and name HZ3  ) (resid  28 and name HB1  )    0.000    0.000    5.350
assign (resid  18 and name HZ3  ) (resid  30 and name HN   )    0.000    0.000    5.500
assign (resid  19 and name HA   ) (resid  19 and name HB   )    0.000    0.000    3.850
assign (resid  19 and name HA   ) (resid  19 and name HG1# )    0.000    0.000    4.320
assign (resid  19 and name HA   ) (resid  19 and name HG2# )    0.000    0.000    4.470
assign (resid  19 and name HB   ) (resid  19 and name HG2# )    0.000    0.000    3.390
assign (resid  19 and name HB   ) (resid  41 and name HB#  )    0.000    0.000    5.330
assign (resid  19 and name HG1# ) (resid  19 and name HB   )    0.000    0.000    3.700
assign (resid  19 and name HG1# ) (resid  46 and name HB2  )    0.000    0.000    4.610
assign (resid  19 and name HG1# ) (resid  46 and name HD#  )    0.000    0.000    5.320
!assign (resid  19 and name HG1# ) (resid  46 and name HN   )    0.000    0.000    5.500
assign (resid  19 and name HG2# ) (resid  29 and name HB1  )    0.000    0.000    4.250
assign (resid  19 and name HG2# ) (resid  29 and name HB2  )    0.000    0.000    3.970
assign (resid  19 and name HG2# ) (resid  29 and name HN   )    0.000    0.000    5.500
assign (resid  19 and name HG2# ) (resid  29 and name HD#  )    0.000    0.000    5.200
assign (resid  19 and name HG2# ) (resid  30 and name HN   )    0.000    0.000    5.220
assign (resid  19 and name HG2# ) (resid  31 and name HA   )    0.000    0.000    3.880
assign (resid  19 and name HG2# ) (resid  31 and name HG2  )    0.000    0.000    4.280
assign (resid  19 and name HG2# ) (resid  31 and name HN   )    0.000    0.000    5.050
assign (resid  19 and name HG2# ) (resid  46 and name HD#  )    0.000    0.000    4.790
assign (resid  19 and name HN   ) (resid  19 and name HA   )    0.000    0.000    4.720
assign (resid  19 and name HN   ) (resid  19 and name HB   )    0.000    0.000    4.910
assign (resid  19 and name HN   ) (resid  19 and name HG1# )    0.000    0.000    5.500
assign (resid  19 and name HN   ) (resid  19 and name HG2# )    0.000    0.000    3.890
assign (resid  19 and name HN   ) (resid  28 and name HE3  )    0.000    0.000    5.180
assign (resid  19 and name HN   ) (resid  29 and name HB2  )    0.000    0.000    5.500
assign (resid  19 and name HN   ) (resid  29 and name HN   )    0.000    0.000    4.970
assign (resid  19 and name HN   ) (resid  29 and name O    )    0.000    0.000    2.400
assign (resid  19 and name HN   ) (resid  30 and name HA   )    0.000    0.000    5.500
assign (resid  19 and name O    ) (resid  29 and name HN   )    0.000    0.000    2.400
assign (resid  20 and name HA   ) (resid  20 and name HG2  )    0.000    0.000    4.610
assign (resid  20 and name HA   ) (resid  21 and name HN   )    0.000    0.000    4.170
assign (resid  20 and name HA   ) (resid  28 and name HA   )    0.000    0.000    4.030
assign (resid  20 and name HA   ) (resid  28 and name HE3  )    0.000    0.000    5.500
assign (resid  20 and name HA   ) (resid  29 and name HN   )    0.000    0.000    5.410
assign (resid  20 and name HB1  ) (resid  20 and name HG1  )    0.000    0.000    5.300
assign (resid  20 and name HB1  ) (resid  20 and name HG2  )    0.000    0.000    4.880
assign (resid  20 and name HB2  ) (resid  20 and name HB1  )    0.000    0.000    4.460
assign (resid  20 and name HB2  ) (resid  20 and name HG2  )    0.000    0.000    5.160
assign (resid  20 and name HE21 ) (resid  26 and name HA   )    0.000    0.000    5.460
assign (resid  20 and name HE21 ) (resid  26 and name HB2  )    0.000    0.000    4.710
assign (resid  20 and name HE21 ) (resid  28 and name HE1  )    0.000    0.000    5.330
assign (resid  20 and name HE22 ) (resid  20 and name HE21 )    0.000    0.000    3.150
assign (resid  20 and name HE22 ) (resid  26 and name HA   )    0.000    0.000    4.760
assign (resid  20 and name HE22 ) (resid  26 and name HB2  )    0.000    0.000    4.590
assign (resid  20 and name HE22 ) (resid  28 and name HE1  )    0.000    0.000    5.130
assign (resid  20 and name HG1  ) (resid  20 and name HE21 )    0.000    0.000    5.440
assign (resid  20 and name HG1  ) (resid  20 and name HE22 )    0.000    0.000    5.250
assign (resid  20 and name HG1  ) (resid  20 and name HG2  )    0.000    0.000    3.560
assign (resid  20 and name HG1  ) (resid  21 and name HN   )    0.000    0.000    5.490
assign (resid  20 and name HG1  ) (resid  26 and name HA   )    0.000    0.000    4.720
assign (resid  20 and name HG2  ) (resid  20 and name HE21 )    0.000    0.000    4.950
assign (resid  20 and name HG2  ) (resid  20 and name HE22 )    0.000    0.000    4.720
assign (resid  20 and name HG2  ) (resid  21 and name HN   )    0.000    0.000    5.470
assign (resid  20 and name HG2  ) (resid  26 and name HA   )    0.000    0.000    5.180
assign (resid  20 and name HG2  ) (resid  28 and name HE1  )    0.000    0.000    5.500
assign (resid  21 and name HA   ) (resid  22 and name HN   )    0.000    0.000    3.930
assign (resid  21 and name HB1  ) (resid  29 and name HE#  )    0.000    0.000    5.450
assign (resid  21 and name HB1  ) (resid  29 and name HZ   )    0.000    0.000    3.720
assign (resid  21 and name HB1  ) (resid  46 and name HD#  )    0.000    0.000    4.900
assign (resid  21 and name HB1  ) (resid  48 and name HN   )    0.000    0.000    5.070
assign (resid  21 and name HB2  ) (resid  21 and name HB1  )    0.000    0.000    3.070
assign (resid  21 and name HB2  ) (resid  27 and name HN   )    0.000    0.000    5.330
assign (resid  21 and name HB2  ) (resid  29 and name HZ   )    0.000    0.000    4.230
assign (resid  21 and name HB2  ) (resid  48 and name HN   )    0.000    0.000    5.500
assign (resid  21 and name HN   ) (resid  21 and name HB1  )    0.000    0.000    4.200
assign (resid  21 and name HN   ) (resid  21 and name HB2  )    0.000    0.000    4.150
assign (resid  21 and name HN   ) (resid  29 and name HD#  )    0.000    0.000    5.440
assign (resid  22 and name HA   ) (resid  22 and name HB2  )    0.000    0.000    5.500
assign (resid  22 and name HA   ) (resid  23 and name HN   )    0.000    0.000    5.390
assign (resid  22 and name HN   ) (resid  22 and name HB1  )    0.000    0.000    5.020
assign (resid  22 and name HN   ) (resid  22 and name HB2  )    0.000    0.000    4.540
assign (resid  22 and name HN   ) (resid  23 and name HN   )    0.000    0.000    4.680
assign (resid  22 and name HN   ) (resid  46 and name HD#  )    0.000    0.000    5.490
assign (resid  22 and name HN   ) (resid  47 and name HD1# )    0.000    0.000    5.410
assign (resid  23 and name HA1  ) (resid  23 and name HA2  )    0.000    0.000    3.040
assign (resid  23 and name HA1  ) (resid  24 and name HN   )    0.000    0.000    3.940
assign (resid  23 and name HA1  ) (resid  24 and name HN   )    0.000    0.000    5.290
assign (resid  23 and name HA1  ) (resid  47 and name HD1# )    0.000    0.000    4.110
assign (resid  23 and name HA1  ) (resid  47 and name HD1# )    0.000    0.000    4.300
assign (resid  23 and name HA1  ) (resid  47 and name HG2# )    0.000    0.000    3.910
assign (resid  23 and name HA1  ) (resid  47 and name HG2# )    0.000    0.000    4.030
assign (resid  23 and name HA1  ) (resid  51 and name HB1  )    0.000    0.000    3.760
assign (resid  23 and name HA1  ) (resid  51 and name HB1  )    0.000    0.000    4.740
assign (resid  23 and name HA1  ) (resid  51 and name HB2  )    0.000    0.000    4.340
assign (resid  23 and name HN   ) (resid  23 and name HA1  )    0.000    0.000    4.050
assign (resid  23 and name HN   ) (resid  23 and name HA1  )    0.000    0.000    4.330
assign (resid  23 and name HN   ) (resid  24 and name HN   )    0.000    0.000    4.610
assign (resid  23 and name HN   ) (resid  47 and name HA   )    0.000    0.000    5.420
assign (resid  23 and name HN   ) (resid  47 and name HD1# )    0.000    0.000    4.700
assign (resid  23 and name HN   ) (resid  47 and name HG2# )    0.000    0.000    5.500
assign (resid  24 and name HA1  ) (resid  24 and name HA2  )    0.000    0.000    2.960
assign (resid  24 and name HA1  ) (resid  25 and name HN   )    0.000    0.000    4.340
assign (resid  24 and name HA1  ) (resid  25 and name HN   )    0.000    0.000    4.560
assign (resid  24 and name HN   ) (resid  24 and name HA1  )    0.000    0.000    3.780
assign (resid  24 and name HN   ) (resid  24 and name HA1  )    0.000    0.000    4.690
assign (resid  24 and name HN   ) (resid  25 and name HN   )    0.000    0.000    3.760
assign (resid  25 and name HA   ) (resid  25 and name HB1  )    0.000    0.000    3.270
assign (resid  25 and name HA   ) (resid  25 and name HB2  )    0.000    0.000    3.170
assign (resid  25 and name HA   ) (resid  26 and name HN   )    0.000    0.000    4.660
assign (resid  25 and name HB2  ) (resid  25 and name HB1  )    0.000    0.000    2.760
assign (resid  25 and name HB2  ) (resid  26 and name HN   )    0.000    0.000    5.500
assign (resid  25 and name HB2  ) (resid  27 and name HG2  )    0.000    0.000    4.710
assign (resid  25 and name HB2  ) (resid  27 and name HN   )    0.000    0.000    5.180
assign (resid  25 and name HN   ) (resid  25 and name HA   )    0.000    0.000    3.920
assign (resid  25 and name HN   ) (resid  25 and name HB1  )    0.000    0.000    3.740
assign (resid  25 and name HN   ) (resid  25 and name HB2  )    0.000    0.000    4.380
assign (resid  25 and name HN   ) (resid  26 and name HN   )    0.000    0.000    3.740
assign (resid  25 and name HN   ) (resid  27 and name HN   )    0.000    0.000    5.500
assign (resid  26 and name HA   ) (resid  26 and name HB2  )    0.000    0.000    3.720
assign (resid  26 and name HA   ) (resid  27 and name HN   )    0.000    0.000    4.820
assign (resid  26 and name HB2  ) (resid  27 and name HN   )    0.000    0.000    5.500
assign (resid  26 and name HN   ) (resid  26 and name HA   )    0.000    0.000    3.540
assign (resid  26 and name HN   ) (resid  26 and name HB2  )    0.000    0.000    4.760
assign (resid  26 and name HN   ) (resid  27 and name HN   )    0.000    0.000    4.490
assign (resid  27 and name HA   ) (resid  27 and name HB1  )    0.000    0.000    3.940
assign (resid  27 and name HA   ) (resid  27 and name HB2  )    0.000    0.000    3.710
assign (resid  27 and name HA   ) (resid  27 and name HG1  )    0.000    0.000    4.920
assign (resid  27 and name HA   ) (resid  27 and name HG2  )    0.000    0.000    3.760
assign (resid  27 and name HA   ) (resid  28 and name HD1  )    0.000    0.000    4.650
assign (resid  27 and name HA   ) (resid  28 and name HN   )    0.000    0.000    3.310
assign (resid  27 and name HB1  ) (resid  27 and name HB2  )    0.000    0.000    3.060
assign (resid  27 and name HB1  ) (resid  27 and name HG2  )    0.000    0.000    3.630
assign (resid  27 and name HB1  ) (resid  28 and name HN   )    0.000    0.000    5.020
assign (resid  27 and name HB1  ) (resid  29 and name HE#  )    0.000    0.000    5.140
assign (resid  27 and name HB1  ) (resid  29 and name HZ   )    0.000    0.000    4.480
assign (resid  27 and name HB2  ) (resid  27 and name HG1  )    0.000    0.000    4.270
assign (resid  27 and name HB2  ) (resid  27 and name HG2  )    0.000    0.000    3.900
assign (resid  27 and name HB2  ) (resid  28 and name HN   )    0.000    0.000    4.170
assign (resid  27 and name HB2  ) (resid  29 and name HE#  )    0.000    0.000    5.230
assign (resid  27 and name HB2  ) (resid  29 and name HZ   )    0.000    0.000    4.890
assign (resid  27 and name HG2  ) (resid  28 and name HN   )    0.000    0.000    5.500
assign (resid  27 and name HN   ) (resid  27 and name HA   )    0.000    0.000    4.130
assign (resid  27 and name HN   ) (resid  27 and name HB1  )    0.000    0.000    4.040
assign (resid  27 and name HN   ) (resid  27 and name HB2  )    0.000    0.000    4.630
assign (resid  27 and name HN   ) (resid  27 and name HG1  )    0.000    0.000    4.820
assign (resid  27 and name HN   ) (resid  27 and name HG2  )    0.000    0.000    4.430
assign (resid  27 and name HN   ) (resid  29 and name HZ   )    0.000    0.000    5.430
assign (resid  28 and name HA   ) (resid  28 and name HB1  )    0.000    0.000    4.430
assign (resid  28 and name HA   ) (resid  28 and name HB2  )    0.000    0.000    4.250
assign (resid  28 and name HA   ) (resid  28 and name HE3  )    0.000    0.000    5.500
assign (resid  28 and name HA   ) (resid  29 and name HN   )    0.000    0.000    4.180
assign (resid  28 and name HB1  ) (resid  28 and name HD1  )    0.000    0.000    4.860
assign (resid  28 and name HB1  ) (resid  28 and name HE3  )    0.000    0.000    4.280
assign (resid  28 and name HB1  ) (resid  29 and name HN   )    0.000    0.000    5.150
assign (resid  28 and name HB2  ) (resid  28 and name HB1  )    0.000    0.000    3.170
assign (resid  28 and name HB2  ) (resid  28 and name HD1  )    0.000    0.000    4.850
assign (resid  28 and name HB2  ) (resid  28 and name HE3  )    0.000    0.000    5.500
assign (resid  28 and name HD1  ) (resid  28 and name HE1  )    0.000    0.000    3.910
assign (resid  28 and name HE1  ) (resid  28 and name HZ2  )    0.000    0.000    5.500
assign (resid  28 and name HE3  ) (resid  29 and name HN   )    0.000    0.000    5.500
assign (resid  28 and name HH2  ) (resid  28 and name HZ2  )    0.000    0.000    4.470
assign (resid  28 and name HN   ) (resid  28 and name HA   )    0.000    0.000    4.820
assign (resid  28 and name HN   ) (resid  28 and name HB1  )    0.000    0.000    4.680
assign (resid  28 and name HN   ) (resid  28 and name HB2  )    0.000    0.000    4.340
assign (resid  28 and name HN   ) (resid  28 and name HD1  )    0.000    0.000    5.080
assign (resid  28 and name HZ3  ) (resid  28 and name HE3  )    0.000    0.000    5.420
assign (resid  28 and name HZ3  ) (resid  28 and name HH2  )    0.000    0.000    4.660
assign (resid  29 and name HA   ) (resid  29 and name HB1  )    0.000    0.000    4.140
assign (resid  29 and name HA   ) (resid  29 and name HB2  )    0.000    0.000    4.460
assign (resid  29 and name HA   ) (resid  29 and name HD#  )    0.000    0.000    4.700
assign (resid  29 and name HA   ) (resid  30 and name HN   )    0.000    0.000    3.760
assign (resid  29 and name HB1  ) (resid  29 and name HD#  )    0.000    0.000    3.690
assign (resid  29 and name HB1  ) (resid  30 and name HN   )    0.000    0.000    4.110
assign (resid  29 and name HB1  ) (resid  34 and name HG1# )    0.000    0.000    3.990
assign (resid  29 and name HB1  ) (resid  34 and name HG2# )    0.000    0.000    3.780
assign (resid  29 and name HB2  ) (resid  29 and name HB1  )    0.000    0.000    2.990
assign (resid  29 and name HB2  ) (resid  29 and name HD#  )    0.000    0.000    3.960
assign (resid  29 and name HB2  ) (resid  30 and name HN   )    0.000    0.000    5.060
assign (resid  29 and name HB2  ) (resid  34 and name HG1# )    0.000    0.000    4.210
assign (resid  29 and name HB2  ) (resid  34 and name HG2# )    0.000    0.000    4.450
assign (resid  29 and name HD#  ) (resid  29 and name HE#  )    0.000    0.000    4.960
assign (resid  29 and name HD#  ) (resid  30 and name HN   )    0.000    0.000    5.330
assign (resid  29 and name HD#  ) (resid  34 and name HG2# )    0.000    0.000    3.810
assign (resid  29 and name HE#  ) (resid  29 and name HZ   )    0.000    0.000    5.300
assign (resid  29 and name HE#  ) (resid  48 and name HB1  )    0.000    0.000    4.360
assign (resid  29 and name HN   ) (resid  29 and name HB1  )    0.000    0.000    4.230
assign (resid  29 and name HN   ) (resid  29 and name HB2  )    0.000    0.000    4.410
assign (resid  29 and name HN   ) (resid  29 and name HD#  )    0.000    0.000    4.630
assign (resid  29 and name HZ   ) (resid  48 and name HB1  )    0.000    0.000    4.690
assign (resid  29 and name HZ   ) (resid  48 and name HB2  )    0.000    0.000    4.800
assign (resid  30 and name HA   ) (resid  30 and name HB2  )    0.000    0.000    4.170
assign (resid  30 and name HA   ) (resid  31 and name HN   )    0.000    0.000    4.530
assign (resid  30 and name HA   ) (resid  32 and name HN   )    0.000    0.000    5.280
assign (resid  30 and name HB1  ) (resid  32 and name HG1# )    0.000    0.000    5.030
assign (resid  30 and name HB1  ) (resid  33 and name HB1  )    0.000    0.000    4.480
assign (resid  30 and name HB1  ) (resid  33 and name HB2  )    0.000    0.000    4.510
assign (resid  30 and name HB1  ) (resid  33 and name HN   )    0.000    0.000    4.280
assign (resid  30 and name HB1  ) (resid  34 and name HN   )    0.000    0.000    5.500
assign (resid  30 and name HB2  ) (resid  30 and name HB1  )    0.000    0.000    3.680
assign (resid  30 and name HB2  ) (resid  31 and name HN   )    0.000    0.000    5.500
assign (resid  30 and name HB2  ) (resid  32 and name HG1# )    0.000    0.000    4.740
assign (resid  30 and name HB2  ) (resid  32 and name HN   )    0.000    0.000    5.010
assign (resid  30 and name HB2  ) (resid  33 and name HN   )    0.000    0.000    5.310
assign (resid  30 and name HD2  ) (resid  30 and name HE1  )    0.000    0.000    5.470
assign (resid  30 and name HN   ) (resid  30 and name HA   )    0.000    0.000    4.030
assign (resid  30 and name HN   ) (resid  30 and name HB1  )    0.000    0.000    4.860
assign (resid  30 and name HN   ) (resid  30 and name HB2  )    0.000    0.000    5.430
assign (resid  30 and name HN   ) (resid  33 and name HB1  )    0.000    0.000    4.850
assign (resid  30 and name HN   ) (resid  33 and name HB2  )    0.000    0.000    5.320
assign (resid  30 and name HN   ) (resid  33 and name HN   )    0.000    0.000    5.500
assign (resid  30 and name HN   ) (resid  34 and name HG1# )    0.000    0.000    5.500
assign (resid  30 and name HN   ) (resid  34 and name HG2# )    0.000    0.000    5.500
assign (resid  31 and name HA   ) (resid  31 and name HB1  )    0.000    0.000    3.710
assign (resid  31 and name HA   ) (resid  31 and name HB2  )    0.000    0.000    4.710
assign (resid  31 and name HA   ) (resid  31 and name HG1  )    0.000    0.000    3.960
assign (resid  31 and name HA   ) (resid  31 and name HG2  )    0.000    0.000    3.700
assign (resid  31 and name HA   ) (resid  32 and name HN   )    0.000    0.000    5.030
assign (resid  31 and name HA   ) (resid  34 and name HG1# )    0.000    0.000    3.630
assign (resid  31 and name HA   ) (resid  34 and name HN   )    0.000    0.000    4.920
assign (resid  31 and name HA   ) (resid  36 and name HB   )    0.000    0.000    3.730
assign (resid  31 and name HA   ) (resid  36 and name HG1# )    0.000    0.000    4.580
assign (resid  31 and name HA   ) (resid  36 and name HG2# )    0.000    0.000    4.210
assign (resid  31 and name HA   ) (resid  36 and name HN   )    0.000    0.000    4.770
assign (resid  31 and name HB1  ) (resid  31 and name HG1  )    0.000    0.000    4.200
assign (resid  31 and name HB1  ) (resid  31 and name HG2  )    0.000    0.000    3.970
assign (resid  31 and name HB1  ) (resid  32 and name HN   )    0.000    0.000    4.850
assign (resid  31 and name HB1  ) (resid  36 and name HG1# )    0.000    0.000    4.830
assign (resid  31 and name HB1  ) (resid  36 and name HG2# )    0.000    0.000    4.880
assign (resid  31 and name HB1  ) (resid  36 and name HN   )    0.000    0.000    5.040
assign (resid  31 and name HB2  ) (resid  31 and name HB1  )    0.000    0.000    3.080
assign (resid  31 and name HB2  ) (resid  32 and name HN   )    0.000    0.000    4.310
assign (resid  31 and name HE21 ) (resid  38 and name HA   )    0.000    0.000    4.270
assign (resid  31 and name HE21 ) (resid  38 and name HB1  )    0.000    0.000    5.360
assign (resid  31 and name HE21 ) (resid  41 and name HB#  )    0.000    0.000    4.410
assign (resid  31 and name HE22 ) (resid  41 and name HB#  )    0.000    0.000    3.910
assign (resid  31 and name HG1  ) (resid  31 and name HE21 )    0.000    0.000    4.520
assign (resid  31 and name HG1  ) (resid  31 and name HE22 )    0.000    0.000    4.050
assign (resid  31 and name HG1  ) (resid  32 and name HN   )    0.000    0.000    5.500
assign (resid  31 and name HG1  ) (resid  36 and name HG1# )    0.000    0.000    4.330
assign (resid  31 and name HG1  ) (resid  36 and name HN   )    0.000    0.000    5.500
assign (resid  31 and name HG2  ) (resid  31 and name HE21 )    0.000    0.000    5.150
assign (resid  31 and name HG2  ) (resid  31 and name HE22 )    0.000    0.000    4.500
assign (resid  31 and name HG2  ) (resid  36 and name HG1# )    0.000    0.000    3.900
assign (resid  31 and name HG2  ) (resid  36 and name HG2# )    0.000    0.000    4.900
assign (resid  31 and name HG2  ) (resid  36 and name HN   )    0.000    0.000    5.500
assign (resid  31 and name HN   ) (resid  31 and name HA   )    0.000    0.000    4.630
assign (resid  31 and name HN   ) (resid  31 and name HB1  )    0.000    0.000    4.960
assign (resid  31 and name HN   ) (resid  31 and name HB2  )    0.000    0.000    4.790
assign (resid  31 and name HN   ) (resid  31 and name HG1  )    0.000    0.000    4.310
assign (resid  31 and name HN   ) (resid  31 and name HG2  )    0.000    0.000    4.880
assign (resid  32 and name HA   ) (resid  32 and name HB   )    0.000    0.000    3.410
assign (resid  32 and name HA   ) (resid  32 and name HG1# )    0.000    0.000    3.700
assign (resid  32 and name HA   ) (resid  33 and name HN   )    0.000    0.000    5.150
assign (resid  32 and name HA   ) (resid  35 and name HN   )    0.000    0.000    4.650
assign (resid  32 and name HA   ) (resid  36 and name HN   )    0.000    0.000    5.040
assign (resid  32 and name HB   ) (resid  32 and name HG1# )    0.000    0.000    3.110
assign (resid  32 and name HB   ) (resid  33 and name HN   )    0.000    0.000    5.200
assign (resid  32 and name HG1# ) (resid  33 and name HN   )    0.000    0.000    3.930
assign (resid  32 and name HG1# ) (resid  35 and name HN   )    0.000    0.000    5.600
assign (resid  32 and name HG2# ) (resid  33 and name HN   )    0.000    0.000    4.030
assign (resid  32 and name HN   ) (resid  32 and name HA   )    0.000    0.000    4.180
assign (resid  32 and name HN   ) (resid  32 and name HB   )    0.000    0.000    3.970
assign (resid  32 and name HN   ) (resid  32 and name HG1# )    0.000    0.000    3.590
assign (resid  32 and name HN   ) (resid  33 and name HN   )    0.000    0.000    4.400
assign (resid  32 and name HN   ) (resid  34 and name HN   )    0.000    0.000    5.500
assign (resid  33 and name HA   ) (resid  33 and name HB1  )    0.000    0.000    4.150
assign (resid  33 and name HA   ) (resid  33 and name HB2  )    0.000    0.000    3.580
assign (resid  33 and name HA   ) (resid  34 and name HN   )    0.000    0.000    4.560
assign (resid  33 and name HB1  ) (resid  34 and name HN   )    0.000    0.000    4.310
assign (resid  33 and name HB2  ) (resid  34 and name HN   )    0.000    0.000    4.790
assign (resid  33 and name HN   ) (resid  33 and name HA   )    0.000    0.000    4.140
assign (resid  33 and name HN   ) (resid  33 and name HB1  )    0.000    0.000    3.910
assign (resid  33 and name HN   ) (resid  33 and name HB2  )    0.000    0.000    4.340
assign (resid  33 and name HN   ) (resid  34 and name HN   )    0.000    0.000    3.890
assign (resid  34 and name HA   ) (resid  34 and name HB   )    0.000    0.000    3.230
assign (resid  34 and name HA   ) (resid  34 and name HG1# )    0.000    0.000    3.980
assign (resid  34 and name HA   ) (resid  34 and name HG2# )    0.000    0.000    3.220
assign (resid  34 and name HA   ) (resid  35 and name HN   )    0.000    0.000    4.280
assign (resid  34 and name HB   ) (resid  34 and name HG1# )    0.000    0.000    3.290
assign (resid  34 and name HB   ) (resid  35 and name HN   )    0.000    0.000    5.210
assign (resid  34 and name HB   ) (resid  36 and name HG2# )    0.000    0.000    4.760
assign (resid  34 and name HB   ) (resid  46 and name HE#  )    0.000    0.000    4.920
assign (resid  34 and name HG1# ) (resid  35 and name HN   )    0.000    0.000    4.360
assign (resid  34 and name HG1# ) (resid  36 and name HB   )    0.000    0.000    3.890
assign (resid  34 and name HG1# ) (resid  36 and name HG2# )    0.000    0.000    3.220
assign (resid  34 and name HG1# ) (resid  36 and name HN   )    0.000    0.000    4.020
assign (resid  34 and name HG1# ) (resid  46 and name HD#  )    0.000    0.000    5.500
assign (resid  34 and name HG1# ) (resid  46 and name HE#  )    0.000    0.000    5.110
assign (resid  34 and name HG2# ) (resid  34 and name HB   )    0.000    0.000    3.370
assign (resid  34 and name HG2# ) (resid  34 and name HG1# )    0.000    0.000    3.040
assign (resid  34 and name HG2# ) (resid  35 and name HN   )    0.000    0.000    5.500
assign (resid  34 and name HN   ) (resid  34 and name HA   )    0.000    0.000    3.980
assign (resid  34 and name HN   ) (resid  34 and name HB   )    0.000    0.000    4.690
assign (resid  34 and name HN   ) (resid  34 and name HG1# )    0.000    0.000    3.520
assign (resid  34 and name HN   ) (resid  34 and name HG2# )    0.000    0.000    4.230
assign (resid  34 and name HN   ) (resid  35 and name HN   )    0.000    0.000    3.480
assign (resid  35 and name HA1  ) (resid  36 and name HN   )    0.000    0.000    4.270
assign (resid  35 and name HA1  ) (resid  36 and name HN   )    0.000    0.000    4.390
assign (resid  35 and name HN   ) (resid  35 and name HA1  )    0.000    0.000    3.440
assign (resid  35 and name HN   ) (resid  35 and name HA1  )    0.000    0.000    3.590
assign (resid  35 and name HN   ) (resid  36 and name HB   )    0.000    0.000    5.500
assign (resid  35 and name HN   ) (resid  36 and name HG2# )    0.000    0.000    5.090
assign (resid  36 and name HA   ) (resid  36 and name HB   )    0.000    0.000    3.780
assign (resid  36 and name HA   ) (resid  36 and name HG1# )    0.000    0.000    3.500
assign (resid  36 and name HA   ) (resid  36 and name HG2# )    0.000    0.000    3.460
assign (resid  36 and name HA   ) (resid  37 and name HN   )    0.000    0.000    3.090
assign (resid  36 and name HA   ) (resid  40 and name HE#  )    0.000    0.000    3.760
assign (resid  36 and name HB   ) (resid  36 and name HG1# )    0.000    0.000    3.210
assign (resid  36 and name HB   ) (resid  36 and name HG2# )    0.000    0.000    3.210
assign (resid  36 and name HB   ) (resid  37 and name HN   )    0.000    0.000    4.670
assign (resid  36 and name HG1# ) (resid  37 and name HN   )    0.000    0.000    4.070
assign (resid  36 and name HG1# ) (resid  40 and name HB1  )    0.000    0.000    4.230
assign (resid  36 and name HG1# ) (resid  40 and name HB2  )    0.000    0.000    3.560
assign (resid  36 and name HG1# ) (resid  40 and name HN   )    0.000    0.000    5.040
assign (resid  36 and name HG1# ) (resid  41 and name HA   )    0.000    0.000    4.160
assign (resid  36 and name HG1# ) (resid  41 and name HB#  )    0.000    0.000    3.800
assign (resid  36 and name HG1# ) (resid  41 and name HN   )    0.000    0.000    4.080
assign (resid  36 and name HG1# ) (resid  46 and name HD#  )    0.000    0.000    5.150
assign (resid  36 and name HG2# ) (resid  37 and name HN   )    0.000    0.000    4.970
assign (resid  36 and name HG2# ) (resid  40 and name HE#  )    0.000    0.000    3.730
assign (resid  36 and name HG2# ) (resid  46 and name HB2  )    0.000    0.000    4.620
assign (resid  36 and name HG2# ) (resid  46 and name HD#  )    0.000    0.000    4.000
assign (resid  36 and name HG2# ) (resid  46 and name HE#  )    0.000    0.000    4.590
assign (resid  36 and name HN   ) (resid  36 and name HA   )    0.000    0.000    3.900
assign (resid  36 and name HN   ) (resid  36 and name HB   )    0.000    0.000    3.560
assign (resid  36 and name HN   ) (resid  36 and name HG1# )    0.000    0.000    4.410
assign (resid  36 and name HN   ) (resid  36 and name HG2# )    0.000    0.000    3.750
assign (resid  37 and name HA   ) (resid  37 and name HB1  )    0.000    0.000    3.460
assign (resid  37 and name HA   ) (resid  37 and name HB2  )    0.000    0.000    3.470
assign (resid  37 and name HA   ) (resid  38 and name HD1  )    0.000    0.000    3.260
assign (resid  37 and name HA   ) (resid  38 and name HD2  )    0.000    0.000    3.400
assign (resid  37 and name HA   ) (resid  38 and name HG2  )    0.000    0.000    4.660
assign (resid  37 and name HA   ) (resid  39 and name HN   )    0.000    0.000    4.430
assign (resid  37 and name HA   ) (resid  40 and name HN   )    0.000    0.000    4.840
assign (resid  37 and name HB1  ) (resid  37 and name HB2  )    0.000    0.000    2.670
assign (resid  37 and name HB1  ) (resid  39 and name HN   )    0.000    0.000    5.030
assign (resid  37 and name HB1  ) (resid  40 and name HB2  )    0.000    0.000    4.790
assign (resid  37 and name HB1  ) (resid  40 and name HN   )    0.000    0.000    5.120
assign (resid  37 and name HB2  ) (resid  38 and name HD1  )    0.000    0.000    3.820
assign (resid  37 and name HB2  ) (resid  38 and name HD2  )    0.000    0.000    3.450
assign (resid  37 and name HB2  ) (resid  38 and name HG2  )    0.000    0.000    4.810
assign (resid  37 and name HB2  ) (resid  39 and name HN   )    0.000    0.000    4.080
assign (resid  37 and name HB2  ) (resid  40 and name HN   )    0.000    0.000    4.700
assign (resid  37 and name HN   ) (resid  37 and name HB1  )    0.000    0.000    3.920
assign (resid  37 and name HN   ) (resid  37 and name HB2  )    0.000    0.000    4.470
assign (resid  37 and name HN   ) (resid  40 and name HB1  )    0.000    0.000    4.430
assign (resid  37 and name HN   ) (resid  40 and name HB2  )    0.000    0.000    3.780
assign (resid  37 and name HN   ) (resid  40 and name HG2  )    0.000    0.000    4.910
assign (resid  38 and name HA   ) (resid  39 and name HN   )    0.000    0.000    4.840
assign (resid  38 and name HA   ) (resid  40 and name HN   )    0.000    0.000    5.400
assign (resid  38 and name HA   ) (resid  41 and name HB#  )    0.000    0.000    3.710
assign (resid  38 and name HA   ) (resid  41 and name HN   )    0.000    0.000    4.310
assign (resid  38 and name HA   ) (resid  42 and name HN   )    0.000    0.000    5.430
assign (resid  38 and name HB1  ) (resid  38 and name HA   )    0.000    0.000    3.320
assign (resid  38 and name HB1  ) (resid  38 and name HD1  )    0.000    0.000    4.640
assign (resid  38 and name HB1  ) (resid  38 and name HD2  )    0.000    0.000    4.590
assign (resid  38 and name HB1  ) (resid  38 and name HG2  )    0.000    0.000    3.290
assign (resid  38 and name HB1  ) (resid  39 and name HN   )    0.000    0.000    4.570
assign (resid  38 and name HB2  ) (resid  38 and name HA   )    0.000    0.000    3.920
assign (resid  38 and name HB2  ) (resid  38 and name HD1  )    0.000    0.000    4.450
assign (resid  38 and name HB2  ) (resid  38 and name HD2  )    0.000    0.000    4.150
assign (resid  38 and name HB2  ) (resid  39 and name HN   )    0.000    0.000    4.190
assign (resid  38 and name HD1  ) (resid  39 and name HN   )    0.000    0.000    4.950
assign (resid  38 and name HD2  ) (resid  39 and name HN   )    0.000    0.000    4.040
assign (resid  38 and name HG2  ) (resid  38 and name HA   )    0.000    0.000    3.780
assign (resid  38 and name HG2  ) (resid  38 and name HD1  )    0.000    0.000    3.380
assign (resid  38 and name HG2  ) (resid  38 and name HD2  )    0.000    0.000    3.340
assign (resid  38 and name HG2  ) (resid  39 and name HN   )    0.000    0.000    4.780
assign (resid  39 and name HA   ) (resid  39 and name HB1  )    0.000    0.000    3.760
assign (resid  39 and name HA   ) (resid  39 and name HB2  )    0.000    0.000    3.240
assign (resid  39 and name HA   ) (resid  39 and name HG1  )    0.000    0.000    4.270
assign (resid  39 and name HA   ) (resid  39 and name HG2  )    0.000    0.000    3.770
assign (resid  39 and name HA   ) (resid  40 and name HN   )    0.000    0.000    3.640
assign (resid  39 and name HA   ) (resid  42 and name HB2  )    0.000    0.000    4.730
assign (resid  39 and name HA   ) (resid  42 and name HN   )    0.000    0.000    4.270
assign (resid  39 and name HA   ) (resid  43 and name HD21 )    0.000    0.000    5.500
assign (resid  39 and name HA   ) (resid  43 and name HD22 )    0.000    0.000    5.030
assign (resid  39 and name HB1  ) (resid  40 and name HN   )    0.000    0.000    3.810
assign (resid  39 and name HB2  ) (resid  39 and name HG1  )    0.000    0.000    3.430
assign (resid  39 and name HB2  ) (resid  40 and name HN   )    0.000    0.000    4.430
assign (resid  39 and name HG2  ) (resid  43 and name HD21 )    0.000    0.000    5.500
assign (resid  39 and name HN   ) (resid  39 and name HA   )    0.000    0.000    3.800
assign (resid  39 and name HN   ) (resid  39 and name HB1  )    0.000    0.000    3.290
assign (resid  39 and name HN   ) (resid  39 and name HB2  )    0.000    0.000    3.930
assign (resid  39 and name HN   ) (resid  39 and name HG1  )    0.000    0.000    4.870
assign (resid  39 and name HN   ) (resid  39 and name HG2  )    0.000    0.000    4.380
assign (resid  39 and name HN   ) (resid  40 and name HN   )    0.000    0.000    3.580
assign (resid  40 and name HA   ) (resid  40 and name HB1  )    0.000    0.000    3.990
assign (resid  40 and name HA   ) (resid  40 and name HB2  )    0.000    0.000    3.350
assign (resid  40 and name HA   ) (resid  40 and name HG2  )    0.000    0.000    3.670
assign (resid  40 and name HA   ) (resid  41 and name HN   )    0.000    0.000    4.160
assign (resid  40 and name HA   ) (resid  43 and name HB1  )    0.000    0.000    4.970
assign (resid  40 and name HA   ) (resid  43 and name HB2  )    0.000    0.000    4.570
assign (resid  40 and name HA   ) (resid  43 and name HN   )    0.000    0.000    4.440
assign (resid  40 and name HA   ) (resid  44 and name HN   )    0.000    0.000    5.110
assign (resid  40 and name HB1  ) (resid  41 and name HN   )    0.000    0.000    4.480
assign (resid  40 and name HB2  ) (resid  41 and name HN   )    0.000    0.000    3.710
assign (resid  40 and name HG2  ) (resid  40 and name HE#  )    0.000    0.000    3.850
assign (resid  40 and name HG2  ) (resid  41 and name HN   )    0.000    0.000    5.060
assign (resid  40 and name HG2  ) (resid  46 and name HN   )    0.000    0.000    5.060
assign (resid  40 and name HN   ) (resid  40 and name HA   )    0.000    0.000    3.800
assign (resid  40 and name HN   ) (resid  40 and name HB1  )    0.000    0.000    4.100
assign (resid  40 and name HN   ) (resid  40 and name HB2  )    0.000    0.000    3.320
assign (resid  40 and name HN   ) (resid  40 and name HG2  )    0.000    0.000    4.460
assign (resid  40 and name HN   ) (resid  41 and name HB#  )    0.000    0.000    5.130
assign (resid  40 and name HN   ) (resid  41 and name HN   )    0.000    0.000    3.480
assign (resid  41 and name HA   ) (resid  41 and name HB#  )    0.000    0.000    3.200
assign (resid  41 and name HA   ) (resid  42 and name HN   )    0.000    0.000    3.980
assign (resid  41 and name HB#  ) (resid  42 and name HN   )    0.000    0.000    3.840
assign (resid  41 and name HN   ) (resid  41 and name HA   )    0.000    0.000    3.540
assign (resid  41 and name HN   ) (resid  41 and name HB#  )    0.000    0.000    3.210
assign (resid  41 and name HN   ) (resid  42 and name HN   )    0.000    0.000    3.900
assign (resid  42 and name HA   ) (resid  42 and name HB2  )    0.000    0.000    4.560
assign (resid  42 and name HB2  ) (resid  42 and name HG2  )    0.000    0.000    3.810
assign (resid  42 and name HB2  ) (resid  43 and name HD21 )    0.000    0.000    5.300
assign (resid  42 and name HB2  ) (resid  43 and name HD22 )    0.000    0.000    5.190
assign (resid  42 and name HN   ) (resid  42 and name HA   )    0.000    0.000    4.350
assign (resid  42 and name HN   ) (resid  42 and name HB2  )    0.000    0.000    3.460
assign (resid  42 and name HN   ) (resid  42 and name HG2  )    0.000    0.000    4.530
assign (resid  43 and name HA   ) (resid  43 and name HB1  )    0.000    0.000    3.850
assign (resid  43 and name HA   ) (resid  43 and name HB2  )    0.000    0.000    3.800
assign (resid  43 and name HA   ) (resid  43 and name HD22 )    0.000    0.000    5.500
assign (resid  43 and name HB1  ) (resid  43 and name HD21 )    0.000    0.000    4.470
assign (resid  43 and name HB1  ) (resid  43 and name HD22 )    0.000    0.000    3.850
assign (resid  43 and name HB1  ) (resid  44 and name HN   )    0.000    0.000    4.850
assign (resid  43 and name HB2  ) (resid  44 and name HN   )    0.000    0.000    4.890
assign (resid  43 and name HN   ) (resid  43 and name HA   )    0.000    0.000    3.970
assign (resid  43 and name HN   ) (resid  43 and name HB1  )    0.000    0.000    3.590
assign (resid  43 and name HN   ) (resid  43 and name HB2  )    0.000    0.000    3.570
assign (resid  43 and name HN   ) (resid  44 and name HN   )    0.000    0.000    3.510
assign (resid  44 and name HA   ) (resid  44 and name HB1  )    0.000    0.000    4.710
assign (resid  44 and name HA   ) (resid  44 and name HB2  )    0.000    0.000    4.190
assign (resid  44 and name HB2  ) (resid  44 and name HB1  )    0.000    0.000    2.810
assign (resid  44 and name HN   ) (resid  44 and name HA   )    0.000    0.000    4.320
assign (resid  44 and name HN   ) (resid  44 and name HB1  )    0.000    0.000    4.650
assign (resid  44 and name HN   ) (resid  44 and name HB2  )    0.000    0.000    5.080
assign (resid  44 and name HN   ) (resid  44 and name HG2  )    0.000    0.000    5.250
assign (resid  45 and name HB1  ) (resid  46 and name HN   )    0.000    0.000    4.470
assign (resid  45 and name HB2  ) (resid  46 and name HN   )    0.000    0.000    5.500
assign (resid  45 and name HN   ) (resid  46 and name HN   )    0.000    0.000    5.500
assign (resid  46 and name HA   ) (resid  46 and name HB2  )    0.000    0.000    4.180
assign (resid  46 and name HA   ) (resid  46 and name HD#  )    0.000    0.000    3.630
assign (resid  46 and name HA   ) (resid  47 and name HN   )    0.000    0.000    3.130
assign (resid  46 and name HB1  ) (resid  46 and name HD#  )    0.000    0.000    5.030
assign (resid  46 and name HB2  ) (resid  46 and name HD#  )    0.000    0.000    4.210
assign (resid  46 and name HB2  ) (resid  47 and name HN   )    0.000    0.000    4.900
assign (resid  46 and name HD#  ) (resid  46 and name HE#  )    0.000    0.000    4.700
assign (resid  46 and name HD#  ) (resid  47 and name HN   )    0.000    0.000    5.500
assign (resid  46 and name HE#  ) (resid  48 and name HA   )    0.000    0.000    4.620
assign (resid  46 and name HE#  ) (resid  48 and name HB1  )    0.000    0.000    5.000
assign (resid  46 and name HE#  ) (resid  48 and name HB2  )    0.000    0.000    4.890
assign (resid  46 and name HN   ) (resid  46 and name HD#  )    0.000    0.000    5.500
assign (resid  46 and name HN   ) (resid  47 and name HN   )    0.000    0.000    5.500
assign (resid  47 and name HA   ) (resid  47 and name HB   )    0.000    0.000    4.290
assign (resid  47 and name HA   ) (resid  47 and name HD1# )    0.000    0.000    3.790
assign (resid  47 and name HA   ) (resid  47 and name HG11 )    0.000    0.000    4.650
assign (resid  47 and name HA   ) (resid  47 and name HG12 )    0.000    0.000    4.410
assign (resid  47 and name HA   ) (resid  47 and name HG2# )    0.000    0.000    3.560
assign (resid  47 and name HA   ) (resid  48 and name HN   )    0.000    0.000    3.430
assign (resid  47 and name HB   ) (resid  47 and name HD1# )    0.000    0.000    4.020
assign (resid  47 and name HB   ) (resid  47 and name HG11 )    0.000    0.000    3.590
assign (resid  47 and name HB   ) (resid  47 and name HG12 )    0.000    0.000    3.740
assign (resid  47 and name HB   ) (resid  47 and name HG2# )    0.000    0.000    3.210
assign (resid  47 and name HG11 ) (resid  47 and name HD1# )    0.000    0.000    3.580
assign (resid  47 and name HG12 ) (resid  47 and name HD1# )    0.000    0.000    3.650
assign (resid  47 and name HG12 ) (resid  47 and name HG11 )    0.000    0.000    2.910
assign (resid  47 and name HG2# ) (resid  47 and name HG11 )    0.000    0.000    3.300
assign (resid  47 and name HG2# ) (resid  48 and name HA   )    0.000    0.000    5.100
assign (resid  47 and name HG2# ) (resid  48 and name HN   )    0.000    0.000    4.090
assign (resid  47 and name HG2# ) (resid  51 and name HA   )    0.000    0.000    4.870
assign (resid  47 and name HG2# ) (resid  51 and name HB1  )    0.000    0.000    3.790
assign (resid  47 and name HG2# ) (resid  51 and name HB2  )    0.000    0.000    3.610
assign (resid  47 and name HG2# ) (resid  51 and name HN   )    0.000    0.000    4.620
assign (resid  47 and name HG2# ) (resid  52 and name HA   )    0.000    0.000    3.380
assign (resid  47 and name HG2# ) (resid  52 and name HB#  )    0.000    0.000    3.330
assign (resid  47 and name HG2# ) (resid  52 and name HN   )    0.000    0.000    4.070
assign (resid  47 and name HN   ) (resid  47 and name HB   )    0.000    0.000    3.810
assign (resid  47 and name HN   ) (resid  47 and name HD1# )    0.000    0.000    4.750
assign (resid  47 and name HN   ) (resid  47 and name HG11 )    0.000    0.000    4.810
assign (resid  47 and name HN   ) (resid  47 and name HG12 )    0.000    0.000    4.250
assign (resid  47 and name HN   ) (resid  47 and name HG2# )    0.000    0.000    4.600
assign (resid  47 and name HN   ) (resid  48 and name HN   )    0.000    0.000    5.320
assign (resid  48 and name HA   ) (resid  48 and name HB1  )    0.000    0.000    3.340
assign (resid  48 and name HA   ) (resid  48 and name HB2  )    0.000    0.000    3.500
assign (resid  48 and name HA   ) (resid  49 and name HN   )    0.000    0.000    3.270
assign (resid  48 and name HA   ) (resid  50 and name HN   )    0.000    0.000    5.110
assign (resid  48 and name HB1  ) (resid  49 and name HN   )    0.000    0.000    3.630
assign (resid  48 and name HB1  ) (resid  50 and name HN   )    0.000    0.000    4.870
assign (resid  48 and name HB1  ) (resid  51 and name HN   )    0.000    0.000    5.490
assign (resid  48 and name HB2  ) (resid  48 and name HB1  )    0.000    0.000    3.110
assign (resid  48 and name HB2  ) (resid  49 and name HN   )    0.000    0.000    4.400
assign (resid  48 and name HN   ) (resid  48 and name HA   )    0.000    0.000    4.040
assign (resid  48 and name HN   ) (resid  48 and name HB1  )    0.000    0.000    4.470
assign (resid  48 and name HN   ) (resid  48 and name HB2  )    0.000    0.000    3.870
assign (resid  48 and name HN   ) (resid  49 and name HN   )    0.000    0.000    5.500
assign (resid  48 and name HN   ) (resid  51 and name HB1  )    0.000    0.000    5.500
assign (resid  48 and name HN   ) (resid  51 and name HB2  )    0.000    0.000    4.850
assign (resid  48 and name HN   ) (resid  51 and name HN   )    0.000    0.000    5.440
assign (resid  49 and name HA   ) (resid  49 and name HB   )    0.000    0.000    3.130
assign (resid  49 and name HA   ) (resid  49 and name HD1# )    0.000    0.000    4.330
assign (resid  49 and name HA   ) (resid  49 and name HG11 )    0.000    0.000    3.630
assign (resid  49 and name HA   ) (resid  49 and name HG12 )    0.000    0.000    3.850
assign (resid  49 and name HA   ) (resid  49 and name HG2# )    0.000    0.000    4.150
assign (resid  49 and name HA   ) (resid  50 and name HN   )    0.000    0.000    4.630
assign (resid  49 and name HA   ) (resid  51 and name HN   )    0.000    0.000    5.150
assign (resid  49 and name HA   ) (resid  52 and name HB#  )    0.000    0.000    3.870
assign (resid  49 and name HA   ) (resid  52 and name HN   )    0.000    0.000    4.550
assign (resid  49 and name HB   ) (resid  49 and name HD1# )    0.000    0.000    3.630
assign (resid  49 and name HB   ) (resid  49 and name HG11 )    0.000    0.000    4.070
assign (resid  49 and name HB   ) (resid  49 and name HG12 )    0.000    0.000    3.750
assign (resid  49 and name HB   ) (resid  49 and name HG2# )    0.000    0.000    3.070
assign (resid  49 and name HB   ) (resid  50 and name HN   )    0.000    0.000    5.220
assign (resid  49 and name HG11 ) (resid  50 and name HN   )    0.000    0.000    5.040
assign (resid  49 and name HG12 ) (resid  49 and name HD1# )    0.000    0.000    3.250
assign (resid  49 and name HG12 ) (resid  49 and name HG11 )    0.000    0.000    2.870
assign (resid  49 and name HG12 ) (resid  50 and name HD21 )    0.000    0.000    5.500
assign (resid  49 and name HG12 ) (resid  50 and name HN   )    0.000    0.000    4.680
assign (resid  49 and name HG2# ) (resid  50 and name HD21 )    0.000    0.000    5.400
assign (resid  49 and name HG2# ) (resid  50 and name HD22 )    0.000    0.000    5.500
assign (resid  49 and name HG2# ) (resid  50 and name HN   )    0.000    0.000    4.080
assign (resid  49 and name HG2# ) (resid  51 and name HN   )    0.000    0.000    5.480
assign (resid  49 and name HN   ) (resid  49 and name HA   )    0.000    0.000    3.590
assign (resid  49 and name HN   ) (resid  49 and name HB   )    0.000    0.000    3.580
assign (resid  49 and name HN   ) (resid  49 and name HD1# )    0.000    0.000    5.380
assign (resid  49 and name HN   ) (resid  49 and name HG11 )    0.000    0.000    4.370
assign (resid  49 and name HN   ) (resid  49 and name HG12 )    0.000    0.000    4.360
assign (resid  49 and name HN   ) (resid  49 and name HG2# )    0.000    0.000    3.330
assign (resid  49 and name HN   ) (resid  50 and name HN   )    0.000    0.000    4.100
assign (resid  50 and name HA   ) (resid  50 and name HB1  )    0.000    0.000    3.830
assign (resid  50 and name HA   ) (resid  50 and name HB2  )    0.000    0.000    3.470
assign (resid  50 and name HA   ) (resid  51 and name HN   )    0.000    0.000    5.100
assign (resid  50 and name HB1  ) (resid  50 and name HD21 )    0.000    0.000    4.330
assign (resid  50 and name HB1  ) (resid  50 and name HD22 )    0.000    0.000    4.020
assign (resid  50 and name HB2  ) (resid  50 and name HD21 )    0.000    0.000    4.590
assign (resid  50 and name HB2  ) (resid  50 and name HD22 )    0.000    0.000    4.040
assign (resid  50 and name HN   ) (resid  50 and name HA   )    0.000    0.000    4.010
assign (resid  50 and name HN   ) (resid  50 and name HB1  )    0.000    0.000    3.680
assign (resid  50 and name HN   ) (resid  50 and name HB2  )    0.000    0.000    4.250
assign (resid  50 and name HN   ) (resid  50 and name HD21 )    0.000    0.000    5.500
assign (resid  50 and name HN   ) (resid  50 and name HD22 )    0.000    0.000    4.990
assign (resid  50 and name HN   ) (resid  51 and name HN   )    0.000    0.000    3.310
assign (resid  50 and name HN   ) (resid  52 and name HN   )    0.000    0.000    4.690
assign (resid  51 and name HA   ) (resid  51 and name HB1  )    0.000    0.000    3.580
assign (resid  51 and name HA   ) (resid  51 and name HB2  )    0.000    0.000    3.940
assign (resid  51 and name HA   ) (resid  52 and name HN   )    0.000    0.000    4.520
assign (resid  51 and name HB1  ) (resid  52 and name HN   )    0.000    0.000    4.840
assign (resid  51 and name HB2  ) (resid  51 and name HB1  )    0.000    0.000    2.830
assign (resid  51 and name HB2  ) (resid  52 and name HN   )    0.000    0.000    4.420
assign (resid  51 and name HN   ) (resid  51 and name HA   )    0.000    0.000    4.000
assign (resid  51 and name HN   ) (resid  51 and name HB1  )    0.000    0.000    3.840
assign (resid  51 and name HN   ) (resid  51 and name HB2  )    0.000    0.000    3.510
assign (resid  51 and name HN   ) (resid  52 and name HN   )    0.000    0.000    3.480
assign (resid  52 and name HA   ) (resid  52 and name HB#  )    0.000    0.000    3.110
assign (resid  52 and name HN   ) (resid  52 and name HA   )    0.000    0.000    3.680
assign (resid  52 and name HN   ) (resid  52 and name HB#  )    0.000    0.000    3.170
assign (resid  26 and name HN   ) ((resid  24 and name HA1   ) 
    or (resid 21 and name HB2 ))   0.000    0.000    5.350

! following are H-bond restraints
assign (resid  19 and name HN   ) (resid  29 and name O   )    0.000    0.000    2.30
assign (resid  19 and name N   ) (resid  29 and name O   )    0.000    0.000    3.30
assign (resid  29 and name HN   ) (resid  19 and name O   )    0.000    0.000    2.30
assign (resid  29 and name N   ) (resid  19 and name O   )    0.000    0.000    3.30
assign (resid  21 and name HN   ) (resid  27 and name O   )    0.000    0.000    2.30
assign (resid  21 and name N   ) (resid  27 and name O   )    0.000    0.000    3.30
assign (resid  34 and name HN   ) (resid  30 and name O   )    0.000    0.000    2.30
assign (resid  34 and name N   ) (resid  30 and name O   )    0.000    0.000    3.30
assign (resid  41 and name HN   ) (resid  37 and name O   )    0.000    0.000    2.30
assign (resid  41 and name N   ) (resid  37 and name O   )    0.000    0.000    3.30
assign (resid  43 and name HN   ) (resid  39 and name O   )    0.000    0.000    2.30
assign (resid  43 and name N   ) (resid  39 and name O   )    0.000    0.000    3.30

! following are dihedral angle restraints

assign
     (segi "    " and resi 1 and name c ) 
     (segi "    " and resi 2 and name n ) 
     (segi "    " and resi 2 and name ca ) 
     (segi "    " and resi 2 and name c ) 
         1 -115.27 15.53 2
assign
     (segi "    " and resi 2 and name n ) 
     (segi "    " and resi 2 and name ca ) 
     (segi "    " and resi 2 and name c ) 
     (segi "    " and resi 3 and name n ) 
         1 128.085 11.385 2
assign
     (segi "    " and resi 2 and name c ) 
     (segi "    " and resi 3 and name n ) 
     (segi "    " and resi 3 and name ca ) 
     (segi "    " and resi 3 and name c ) 
         1 -111.55 31.95 2
assign
     (segi "    " and resi 3 and name n ) 
     (segi "    " and resi 3 and name ca ) 
     (segi "    " and resi 3 and name c ) 
     (segi "    " and resi 4 and name n ) 
         1 149.775 37.335 2
assign
     (segi "    " and resi 3 and name c ) 
     (segi "    " and resi 4 and name n ) 
     (segi "    " and resi 4 and name ca ) 
     (segi "    " and resi 4 and name c ) 
         1 -94.155 54.245 2
assign
     (segi "    " and resi 4 and name n ) 
     (segi "    " and resi 4 and name ca ) 
     (segi "    " and resi 4 and name c ) 
     (segi "    " and resi 5 and name n ) 
         1 145.59 25.06 2
assign
     (segi "    " and resi 5 and name c ) 
     (segi "    " and resi 6 and name n ) 
     (segi "    " and resi 6 and name ca ) 
     (segi "    " and resi 6 and name c ) 
         1 -67.585 17.835 2
assign
     (segi "    " and resi 6 and name n ) 
     (segi "    " and resi 6 and name ca ) 
     (segi "    " and resi 6 and name c ) 
     (segi "    " and resi 7 and name n ) 
         1 -29.8 12.6 2
assign
     (segi "    " and resi 11 and name n ) 
     (segi "    " and resi 11 and name ca ) 
     (segi "    " and resi 11 and name c ) 
     (segi "    " and resi 12 and name n ) 
         1 145.44 12.66 2
assign
     (segi "    " and resi 17 and name c ) 
     (segi "    " and resi 18 and name n ) 
     (segi "    " and resi 18 and name ca ) 
     (segi "    " and resi 18 and name c ) 
         1 -128.2 31.9 2
assign
     (segi "    " and resi 18 and name n ) 
     (segi "    " and resi 18 and name ca ) 
     (segi "    " and resi 18 and name c ) 
     (segi "    " and resi 19 and name n ) 
         1 140.005 18.525 2
assign
     (segi "    " and resi 18 and name c ) 
     (segi "    " and resi 19 and name n ) 
     (segi "    " and resi 19 and name ca ) 
     (segi "    " and resi 19 and name c ) 
         1 -132.4 14.8 2
assign
     (segi "    " and resi 19 and name n ) 
     (segi "    " and resi 19 and name ca ) 
     (segi "    " and resi 19 and name c ) 
     (segi "    " and resi 20 and name n ) 
         1 125.48 18.57 2
assign
     (segi "    " and resi 19 and name c ) 
     (segi "    " and resi 20 and name n ) 
     (segi "    " and resi 20 and name ca ) 
     (segi "    " and resi 20 and name c ) 
         1 -105.13 27.77 2
assign
     (segi "    " and resi 20 and name n ) 
     (segi "    " and resi 20 and name ca ) 
     (segi "    " and resi 20 and name c ) 
     (segi "    " and resi 21 and name n ) 
         1 124.3 13.68 2
assign
     (segi "    " and resi 21 and name c ) 
     (segi "    " and resi 22 and name n ) 
     (segi "    " and resi 22 and name ca ) 
     (segi "    " and resi 22 and name c ) 
         1 -93.495 41.605 2
{assign
     (segi "    " and resi 22 and name n ) 
     (segi "    " and resi 22 and name ca ) 
     (segi "    " and resi 22 and name c ) 
     (segi "    " and resi 23 and name n ) 
         1 130.43 43.95 2

assign
     (segi "    " and resi 24 and name c ) 
     (segi "    " and resi 25 and name n ) 
     (segi "    " and resi 25 and name ca ) 
     (segi "    " and resi 25 and name c ) 
         1 -75.52 36.07 2 
assign
     (segi "    " and resi 25 and name n ) 
     (segi "    " and resi 25 and name ca ) 
     (segi "    " and resi 25 and name c ) 
     (segi "    " and resi 26 and name n ) 
         1 -31.61 56.05 2
assign
     (segi "    " and resi 25 and name c ) 
     (segi "    " and resi 26 and name n ) 
     (segi "    " and resi 26 and name ca ) 
     (segi "    " and resi 26 and name c ) 
         1 -66.86 16.5 2 }
{assign
     (segi "    " and resi 26 and name n ) 
     (segi "    " and resi 26 and name ca ) 
     (segi "    " and resi 26 and name c ) 
     (segi "    " and resi 27 and name n ) 
         1 -34.145 14.025 2}
{assign
     (segi "    " and resi 26 and name c ) 
     (segi "    " and resi 27 and name n ) 
     (segi "    " and resi 27 and name ca ) 
     (segi "    " and resi 27 and name c ) 
         1 -77.16 28.54 2
assign
     (segi "    " and resi 27 and name n ) 
     (segi "    " and resi 27 and name ca ) 
     (segi "    " and resi 27 and name c ) 
     (segi "    " and resi 28 and name n ) 
         1 -24.78 23.16 2
}
assign
     (segi "    " and resi 27 and name c ) 
     (segi "    " and resi 28 and name n ) 
     (segi "    " and resi 28 and name ca ) 
     (segi "    " and resi 28 and name c ) 
         1 -105.395 31.305 2
assign
     (segi "    " and resi 28 and name n ) 
     (segi "    " and resi 28 and name ca ) 
     (segi "    " and resi 28 and name c ) 
     (segi "    " and resi 29 and name n ) 
         1 147.21 41.36 2
assign
     (segi "    " and resi 28 and name c ) 
     (segi "    " and resi 29 and name n ) 
     (segi "    " and resi 29 and name ca ) 
     (segi "    " and resi 29 and name c ) 
         1 -122.31 36.09 2
assign
     (segi "    " and resi 29 and name n ) 
     (segi "    " and resi 29 and name ca ) 
     (segi "    " and resi 29 and name c ) 
     (segi "    " and resi 30 and name n ) 
         1 134.625 26.175 2
assign
     (segi "    " and resi 29 and name c ) 
     (segi "    " and resi 30 and name n ) 
     (segi "    " and resi 30 and name ca ) 
     (segi "    " and resi 30 and name c ) 
         1 -75.28 25.62 2
assign
     (segi "    " and resi 30 and name n ) 
     (segi "    " and resi 30 and name ca ) 
     (segi "    " and resi 30 and name c ) 
     (segi "    " and resi 31 and name n ) 
         1 132.317 36.853 2
assign
     (segi "    " and resi 30 and name c ) 
     (segi "    " and resi 31 and name n ) 
     (segi "    " and resi 31 and name ca ) 
     (segi "    " and resi 31 and name c ) 
         1 -60.825 14.595 2
assign
     (segi "    " and resi 31 and name n ) 
     (segi "    " and resi 31 and name ca ) 
     (segi "    " and resi 31 and name c ) 
     (segi "    " and resi 32 and name n ) 
         1 -40.78 16.11 2
assign
     (segi "    " and resi 31 and name c ) 
     (segi "    " and resi 32 and name n ) 
     (segi "    " and resi 32 and name ca ) 
     (segi "    " and resi 32 and name c ) 
         1 -62.45 13.64 2
assign
     (segi "    " and resi 32 and name n ) 
     (segi "    " and resi 32 and name ca ) 
     (segi "    " and resi 32 and name c ) 
     (segi "    " and resi 33 and name n ) 
         1 -34.715 14.835 2
assign
     (segi "    " and resi 32 and name c ) 
     (segi "    " and resi 33 and name n ) 
     (segi "    " and resi 33 and name ca ) 
     (segi "    " and resi 33 and name c ) 
         1 -67.345 15.845 2
assign
     (segi "    " and resi 33 and name n ) 
     (segi "    " and resi 33 and name ca ) 
     (segi "    " and resi 33 and name c ) 
     (segi "    " and resi 34 and name n ) 
         1 -34.785 18.085 2
assign
     (segi "    " and resi 33 and name c ) 
     (segi "    " and resi 34 and name n ) 
     (segi "    " and resi 34 and name ca ) 
     (segi "    " and resi 34 and name c ) 
         1 -101.265 26.435 2
assign
     (segi "    " and resi 34 and name n ) 
     (segi "    " and resi 34 and name ca ) 
     (segi "    " and resi 34 and name c ) 
     (segi "    " and resi 35 and name n ) 
         1 0.1425 28.3025 2
assign
     (segi "    " and resi 35 and name c ) 
     (segi "    " and resi 36 and name n ) 
     (segi "    " and resi 36 and name ca ) 
     (segi "    " and resi 36 and name c ) 
         1 -103.11 39.09 2
assign
     (segi "    " and resi 36 and name n ) 
     (segi "    " and resi 36 and name ca ) 
     (segi "    " and resi 36 and name c ) 
     (segi "    " and resi 37 and name n ) 
         1 133.915 14.845 2
assign
     (segi "    " and resi 36 and name c ) 
     (segi "    " and resi 37 and name n ) 
     (segi "    " and resi 37 and name ca ) 
     (segi "    " and resi 37 and name c ) 
         1 -83.8 26.9 2
assign
     (segi "    " and resi 37 and name n ) 
     (segi "    " and resi 37 and name ca ) 
     (segi "    " and resi 37 and name c ) 
     (segi "    " and resi 38 and name n ) 
         1 136.345 35.435 2
assign
     (segi "    " and resi 38 and name n ) 
     (segi "    " and resi 38 and name ca ) 
     (segi "    " and resi 38 and name c ) 
     (segi "    " and resi 39 and name n ) 
         1 -29.145 17.025 2
assign
     (segi "    " and resi 38 and name c ) 
     (segi "    " and resi 39 and name n ) 
     (segi "    " and resi 39 and name ca ) 
     (segi "    " and resi 39 and name c ) 
         1 -65.645 7.065 2
assign
     (segi "    " and resi 39 and name n ) 
     (segi "    " and resi 39 and name ca ) 
     (segi "    " and resi 39 and name c ) 
     (segi "    " and resi 40 and name n ) 
         1 -38.49 12.03 2
assign
     (segi "    " and resi 39 and name c ) 
     (segi "    " and resi 40 and name n ) 
     (segi "    " and resi 40 and name ca ) 
     (segi "    " and resi 40 and name c ) 
         1 -64.205 9.095 2
assign
     (segi "    " and resi 40 and name n ) 
     (segi "    " and resi 40 and name ca ) 
     (segi "    " and resi 40 and name c ) 
     (segi "    " and resi 41 and name n ) 
         1 -40.645 8.505 2
assign
     (segi "    " and resi 40 and name c ) 
     (segi "    " and resi 41 and name n ) 
     (segi "    " and resi 41 and name ca ) 
     (segi "    " and resi 41 and name c ) 
         1 -69.055 11.295 2
assign
     (segi "    " and resi 41 and name n ) 
     (segi "    " and resi 41 and name ca ) 
     (segi "    " and resi 41 and name c ) 
     (segi "    " and resi 42 and name n ) 
         1 -29.655 18.255 2
assign
     (segi "    " and resi 41 and name c ) 
     (segi "    " and resi 42 and name n ) 
     (segi "    " and resi 42 and name ca ) 
     (segi "    " and resi 42 and name c ) 
         1 -79.625 26.375 2
assign
     (segi "    " and resi 42 and name n ) 
     (segi "    " and resi 42 and name ca ) 
     (segi "    " and resi 42 and name c ) 
     (segi "    " and resi 43 and name n ) 
         1 -30.615 15.895 2
assign
     (segi "    " and resi 43 and name c ) 
     (segi "    " and resi 44 and name n ) 
     (segi "    " and resi 44 and name ca ) 
     (segi "    " and resi 44 and name c ) 
         1 -116.055 39.645 2
assign
     (segi "    " and resi 44 and name n ) 
     (segi "    " and resi 44 and name ca ) 
     (segi "    " and resi 44 and name c ) 
     (segi "    " and resi 45 and name n ) 
         1 137.347 53.0025 2
assign
     (segi "    " and resi 44 and name c ) 
     (segi "    " and resi 45 and name n ) 
     (segi "    " and resi 45 and name ca ) 
     (segi "    " and resi 45 and name c ) 
         1 -92.2 37.3 2
assign
     (segi "    " and resi 45 and name n ) 
     (segi "    " and resi 45 and name ca ) 
     (segi "    " and resi 45 and name c ) 
     (segi "    " and resi 46 and name n ) 
         1 130.195 13.995 2
assign
     (segi "    " and resi 45 and name c ) 
     (segi "    " and resi 46 and name n ) 
     (segi "    " and resi 46 and name ca ) 
     (segi "    " and resi 46 and name c ) 
         1 -101.89 34.41 2
assign
     (segi "    " and resi 46 and name n ) 
     (segi "    " and resi 46 and name ca ) 
     (segi "    " and resi 46 and name c ) 
     (segi "    " and resi 47 and name n ) 
         1 125.92 21.72 2
assign
     (segi "    " and resi 46 and name c ) 
     (segi "    " and resi 47 and name n ) 
     (segi "    " and resi 47 and name ca ) 
     (segi "    " and resi 47 and name c ) 
         1 -107.335 19.365 2
assign
     (segi "    " and resi 47 and name n ) 
     (segi "    " and resi 47 and name ca ) 
     (segi "    " and resi 47 and name c ) 
     (segi "    " and resi 48 and name n ) 
         1 128.765 25.395 2
assign
     (segi "    " and resi 50 and name c ) 
     (segi "    " and resi 51 and name n ) 
     (segi "    " and resi 51 and name ca ) 
     (segi "    " and resi 51 and name c ) 
         1 -62.71 15.18 2
assign
     (segi "    " and resi 51 and name n ) 
     (segi "    " and resi 51 and name ca ) 
     (segi "    " and resi 51 and name c ) 
     (segi "    " and resi 52 and name n ) 
         1 -42.71 17.49 2
! following are RDC restraints

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 3    and name N   )
       ( resid 3    and name HN  )   -0.22   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4    and name N   )
       ( resid 4    and name HN  )   -5.89   1.0


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 5    and name N   )
       ( resid 5    and name HN  )   -2.67   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 6    and name N   )
       ( resid 6    and name HN  )  11.22   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 7    and name N   )
       ( resid 7    and name HN  )  5.060   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name N   )
       ( resid 8    and name HN  )   -8.29   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9    and name N   )
       ( resid 9    and name HN  )   6.049   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 10   and name N   )
       ( resid 10   and name HN  )   4.330   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 15   and name N   )
       ( resid 15   and name HN  )  1.870   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name N   )
       ( resid 17   and name HN  )  -8.02  1.0
{
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 18   and name N   )
       ( resid 18   and name HN  )  5.999  1.0
}
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 19   and name N   )
       ( resid 19   and name HN  )   -4.76   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 20   and name N   )
       ( resid 20   and name HN  )  -6.13   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 21   and name N   )
       ( resid 21   and name HN  )  2.380   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 22   and name N   )
       ( resid 22   and name HN  )   -5.53   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 23   and name N   )
       ( resid 23   and name HN  )   13.0   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 24   and name N   )
       ( resid 24   and name HN  )  -2.74   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 25   and name N   )
       ( resid 25   and name HN  )  -4.75   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 26   and name N   )
       ( resid 26   and name HN  )   7.680   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 27   and name N   )
       ( resid 27   and name HN  )   3.170   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 28   and name N   )
       ( resid 28   and name HN  )   -1.36   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 29   and name N   )
       ( resid 29   and name HN  )   1.780   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 30   and name N   )
       ( resid 30   and name HN  )   -8.38   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 31   and name N   )
       ( resid 31   and name HN  )   -1.90   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 32   and name N   )
       ( resid 32   and name HN  )   3.079   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 33   and name N   )
       ( resid 33   and name HN  )  -2.98   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 34   and name N   )
       ( resid 34   and name HN  )  -6.81   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 35   and name N   )
       ( resid 35   and name HN  )   16.06   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 36   and name N   )
       ( resid 36   and name HN  )   6.239  1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 37   and name N   )
       ( resid 37   and name HN  )   13.35   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 39   and name N   )
       ( resid 39   and name HN  )   0.989   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 40   and name N   )
       ( resid 40   and name HN  )  8.440   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 41   and name N   )
       ( resid 41   and name HN  )  6.079   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 42   and name N   )
       ( resid 42   and name HN  )  4.609   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 43   and name N   )
       ( resid 43   and name HN  )  1.979   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 44   and name N   )
       ( resid 44   and name HN  )  12.28   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 45   and name N   )
       ( resid 45   and name HN  )  9.239   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 46   and name N   )
       ( resid 46   and name HN  )  -1.85   1.0


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 47   and name N   )
       ( resid 47   and name HN  )   -4.73   1.0


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 48   and name N   )
       ( resid 48   and name HN  )  -3.21   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 49   and name N   )
       ( resid 49   and name HN  )   5.259   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 50   and name N   )
       ( resid 50   and name HN  )  -0.21   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 51   and name N   )
       ( resid 51   and name HN  )  0.009   1.0

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 52   and name N   )
       ( resid 52   and name HN  )   13.43   1.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   SER   1           HA       SER   1 -12.080   6.721   3.936
    2    HB2  SER   1           2HB      SER   1 -12.556   3.719   3.894
    3    HB3  SER   1           1HB      SER   1 -11.160   4.493   4.646
    4    HG   SER   1           HG       SER   1 -12.481   4.422   6.296
    5    H    VAL   2           H        VAL   2 -10.536   7.407   2.696
    6    HA   VAL   2           HA       VAL   2  -9.784   5.906   0.277
    7    HB   VAL   2           HB       VAL   2  -9.208   8.807   0.998
    8   HG11  VAL   2          1HG1      VAL   2  -8.848   7.303  -1.587
    9   HG12  VAL   2          2HG1      VAL   2  -7.569   7.885  -0.529
   10   HG13  VAL   2          3HG1      VAL   2  -8.608   9.038  -1.367
   11   HG21  VAL   2          3HG2      VAL   2 -11.614   8.496   0.680
   12   HG22  VAL   2          1HG2      VAL   2 -11.323   7.718  -0.879
   13   HG23  VAL   2          2HG2      VAL   2 -10.908   9.406  -0.661
   14    H    CYS   3           H        CYS   3  -7.622   5.098   0.193
   15    HA   CYS   3           HA       CYS   3  -6.109   5.353   2.632
   16    HB2  CYS   3           2HB      CYS   3  -5.158   3.357   2.004
   17    HB3  CYS   3           1HB      CYS   3  -6.498   3.266   0.890
   18    H    ALA   4           H        ALA   4  -3.520   5.355   1.907
   19    HA   ALA   4           HA       ALA   4  -3.156   7.982   0.714
   20    HB1  ALA   4           1HB      ALA   4  -0.846   7.787   1.575
   21    HB2  ALA   4           2HB      ALA   4  -1.185   6.151   2.101
   22    HB3  ALA   4           3HB      ALA   4  -2.037   7.507   2.843
   23    H    ALA   5           H        ALA   5  -2.876   8.018  -1.417
   24    HA   ALA   5           HA       ALA   5  -0.587   7.020  -2.652
   25    HB1  ALA   5           1HB      ALA   5  -1.796   4.853  -2.731
   26    HB2  ALA   5           2HB      ALA   5  -1.618   5.464  -4.359
   27    HB3  ALA   5           3HB      ALA   5  -3.160   5.643  -3.511
   28    H    GLN   6           H        GLN   6  -0.167   8.470  -4.339
   29    HA   GLN   6           HA       GLN   6  -1.676  10.651  -4.951
   30    HB2  GLN   6           2HB      GLN   6   0.229   9.140  -6.764
   31    HB3  GLN   6           1HB      GLN   6  -0.409  10.735  -7.127
   32    HG2  GLN   6           2HG      GLN   6   0.677  11.589  -5.110
   33    HG3  GLN   6           1HG      GLN   6   1.308   9.981  -4.772
   34   HE21  GLN   6          1HE2      GLN   6   2.721  12.498  -5.351
   35   HE22  GLN   6          2HE2      GLN   6   3.734  12.141  -6.705
   36    H    ASN   7           H        ASN   7  -1.897   7.554  -6.344
   37    HA   ASN   7           HA       ASN   7  -4.530   8.312  -7.447
   38    HB2  ASN   7           2HB      ASN   7  -2.924   8.126  -9.338
   39    HB3  ASN   7           1HB      ASN   7  -2.609   6.462  -8.892
   40   HD21  ASN   7          1HD2      ASN   7  -4.146   4.898  -9.294
   41   HD22  ASN   7          2HD2      ASN   7  -5.495   5.173 -10.345
   42    H    CYS   8           H        CYS   8  -5.638   7.382  -5.712
   43    HA   CYS   8           HA       CYS   8  -5.064   4.609  -5.395
   44    HB2  CYS   8           2HB      CYS   8  -5.197   5.765  -3.253
   45    HB3  CYS   8           1HB      CYS   8  -6.804   6.364  -3.659
   46    H    GLN   9           H        GLN   9  -6.125   3.198  -6.374
   47    HA   GLN   9           HA       GLN   9  -8.415   3.595  -8.011
   48    HB2  GLN   9           2HB      GLN   9  -7.224   1.033  -6.944
   49    HB3  GLN   9           1HB      GLN   9  -8.307   1.167  -8.303
   50    HG2  GLN   9           2HG      GLN   9  -6.584   2.415  -9.560
   51    HG3  GLN   9           1HG      GLN   9  -5.551   2.325  -8.148
   52   HE21  GLN   9          1HE2      GLN   9  -3.967   1.234  -9.311
   53   HE22  GLN   9          2HE2      GLN   9  -4.161  -0.419  -9.747
   54    H    ARG  10           H        ARG  10  -8.099   3.284  -4.722
   55    HA   ARG  10           HA       ARG  10  -9.303   2.582  -2.941
   56    HB2  ARG  10           2HB      ARG  10 -11.278   3.909  -4.747
   57    HB3  ARG  10           1HB      ARG  10 -11.733   3.362  -3.127
   58    HG2  ARG  10           2HG      ARG  10 -10.184   4.826  -2.104
   59    HG3  ARG  10           1HG      ARG  10  -9.376   5.170  -3.629
   60    HD2  ARG  10           2HD      ARG  10 -12.225   5.857  -3.048
   61    HD3  ARG  10           1HD      ARG  10 -10.873   6.962  -2.780
   62    HE   ARG  10           HE       ARG  10 -10.431   6.388  -5.280
   63   HH11  ARG  10          1HH1      ARG  10 -13.597   6.939  -3.783
   64   HH12  ARG  10          2HH1      ARG  10 -14.265   7.699  -5.118
   65   HH21  ARG  10          1HH2      ARG  10 -11.368   7.465  -7.166
   66   HH22  ARG  10          2HH2      ARG  10 -12.976   8.026  -7.078
   67    HA   PRO  11           HA       PRO  11 -11.245  -1.293  -4.824
   68    HB2  PRO  11           2HB      PRO  11  -8.824  -2.786  -4.223
   69    HB3  PRO  11           1HB      PRO  11  -9.635  -2.637  -5.789
   70    HG2  PRO  11           2HG      PRO  11  -7.216  -1.540  -5.312
   71    HG3  PRO  11           1HG      PRO  11  -8.416  -0.762  -6.363
   72    HD2  PRO  11           2HD      PRO  11  -7.800  -0.213  -3.491
   73    HD3  PRO  11           1HD      PRO  11  -7.975   0.950  -4.819
   74    H    CYS  12           H        CYS  12 -12.438  -2.374  -3.338
   75    HA   CYS  12           HA       CYS  12 -11.265  -2.788  -0.699
   76    HB2  CYS  12           2HB      CYS  12 -13.158  -1.155  -0.741
   77    HB3  CYS  12           1HB      CYS  12 -14.178  -2.398  -1.428
   78    HG   CYS  12           HG       CYS  12 -14.958  -3.427   0.765
   79    H    LYS  13           H        LYS  13 -10.717  -4.847  -0.484
   80    HA   LYS  13           HA       LYS  13 -12.580  -6.944  -1.293
   81    HB2  LYS  13           2HB      LYS  13  -9.587  -6.963  -1.906
   82    HB3  LYS  13           1HB      LYS  13 -10.687  -8.324  -2.119
   83    HG2  LYS  13           2HG      LYS  13 -11.875  -7.070  -3.857
   84    HG3  LYS  13           1HG      LYS  13 -10.775  -5.704  -3.627
   85    HD2  LYS  13           2HD      LYS  13  -8.885  -7.117  -4.300
   86    HD3  LYS  13           1HD      LYS  13  -9.987  -8.487  -4.513
   87    HE2  LYS  13           2HE      LYS  13 -11.170  -7.249  -6.263
   88    HE3  LYS  13           1HE      LYS  13 -10.103  -5.876  -6.052
   89    HZ1  LYS  13           3HZ      LYS  13  -9.434  -7.277  -7.953
   90    HZ2  LYS  13           1HZ      LYS  13  -9.249  -8.598  -6.954
   91    HZ3  LYS  13           2HZ      LYS  13  -8.210  -7.321  -6.791
   92    H    ASP  14           H        ASP  14 -12.185  -8.901  -0.005
   93    HA   ASP  14           HA       ASP  14 -11.232  -8.182   2.645
   94    HB2  ASP  14           2HB      ASP  14 -12.388 -10.217   3.341
   95    HB3  ASP  14           1HB      ASP  14 -13.443  -9.248   2.311
   96    H    LYS  15           H        LYS  15  -9.986  -9.521  -0.095
   97    HA   LYS  15           HA       LYS  15  -8.097 -11.210   1.401
   98    HB2  LYS  15           2HB      LYS  15  -8.894 -11.442  -1.507
   99    HB3  LYS  15           1HB      LYS  15  -7.730 -12.469  -0.703
  100    HG2  LYS  15           2HG      LYS  15  -9.495 -13.303   0.788
  101    HG3  LYS  15           1HG      LYS  15 -10.679 -12.314  -0.066
  102    HD2  LYS  15           2HD      LYS  15 -10.106 -13.509  -2.159
  103    HD3  LYS  15           1HD      LYS  15  -8.991 -14.504  -1.231
  104    HE2  LYS  15           2HE      LYS  15 -10.853 -15.344   0.153
  105    HE3  LYS  15           1HE      LYS  15 -11.974 -14.338  -0.746
  106    HZ1  LYS  15           3HZ      LYS  15 -11.946 -16.664  -1.477
  107    HZ2  LYS  15           1HZ      LYS  15 -10.334 -16.508  -1.910
  108    HZ3  LYS  15           2HZ      LYS  15 -11.504 -15.605  -2.733
  109    H    VAL  16           H        VAL  16  -8.165  -8.234   0.605
  110    HA   VAL  16           HA       VAL  16  -5.559  -8.285  -0.695
  111    HB   VAL  16           HB       VAL  16  -7.142  -6.948  -2.051
  112   HG11  VAL  16          1HG1      VAL  16  -8.157  -4.893  -1.154
  113   HG12  VAL  16          2HG1      VAL  16  -7.387  -5.290   0.409
  114   HG13  VAL  16          3HG1      VAL  16  -8.668  -6.321  -0.213
  115   HG21  VAL  16          3HG2      VAL  16  -5.911  -4.828  -2.159
  116   HG22  VAL  16          1HG2      VAL  16  -4.772  -6.180  -1.966
  117   HG23  VAL  16          2HG2      VAL  16  -5.202  -5.178  -0.578
  118    H    ASP  17           H        ASP  17  -4.187  -8.397   0.790
  119    HA   ASP  17           HA       ASP  17  -4.212  -6.939   3.214
  120    HB2  ASP  17           2HB      ASP  17  -1.904  -8.321   1.833
  121    HB3  ASP  17           1HB      ASP  17  -1.722  -7.565   3.413
  122    H    TRP  18           H        TRP  18  -2.971  -5.187   3.893
  123    HA   TRP  18           HA       TRP  18  -2.490  -3.170   1.789
  124    HB2  TRP  18           2HB      TRP  18  -3.302  -2.854   4.692
  125    HB3  TRP  18           1HB      TRP  18  -3.009  -1.518   3.586
  126    HD1  TRP  18           HD       TRP  18  -5.213  -4.703   3.203
  127    HE1  TRP  18           1HE      TRP  18  -7.538  -4.019   2.532
  128    HE3  TRP  18           3HE      TRP  18  -4.532   0.344   3.306
  129    HZ2  TRP  18           2HZ      TRP  18  -8.988  -1.579   2.133
  130    HZ3  TRP  18           3HZ      TRP  18  -6.449   1.795   2.787
  131    HH2  TRP  18           HH       TRP  18  -8.636   0.849   2.216
  132    H    VAL  19           H        VAL  19  -0.721  -1.437   2.360
  133    HA   VAL  19           HA       VAL  19   1.292  -2.613   4.060
  134    HB   VAL  19           HB       VAL  19   3.009  -1.643   2.494
  135   HG11  VAL  19          1HG1      VAL  19   1.246  -3.783   1.332
  136   HG12  VAL  19          2HG1      VAL  19   2.605  -3.986   2.451
  137   HG13  VAL  19          3HG1      VAL  19   2.892  -3.391   0.821
  138   HG21  VAL  19          3HG2      VAL  19   0.655  -1.329   0.609
  139   HG22  VAL  19          1HG2      VAL  19   2.351  -1.130   0.186
  140   HG23  VAL  19          2HG2      VAL  19   1.617  -0.024   1.331
  141    H    GLN  20           H        GLN  20   2.320  -1.233   5.354
  142    HA   GLN  20           HA       GLN  20   1.461   1.580   5.379
  143    HB2  GLN  20           2HB      GLN  20   1.010   0.304   7.445
  144    HB3  GLN  20           1HB      GLN  20   2.732  -0.077   7.570
  145    HG2  GLN  20           2HG      GLN  20   3.222   2.326   7.803
  146    HG3  GLN  20           1HG      GLN  20   1.496   2.678   7.748
  147   HE21  GLN  20          1HE2      GLN  20   3.445   3.211   9.822
  148   HE22  GLN  20          2HE2      GLN  20   2.864   2.472  11.246
  149    H    CYS  21           H        CYS  21   3.005   3.162   5.193
  150    HA   CYS  21           HA       CYS  21   5.695   2.181   4.677
  151    HB2  CYS  21           2HB      CYS  21   6.254   4.430   3.755
  152    HB3  CYS  21           1HB      CYS  21   4.786   3.810   3.040
  153    H    ASP  22           H        ASP  22   6.798   1.806   6.340
  154    HA   ASP  22           HA       ASP  22   6.441   3.296   8.818
  155    HB2  ASP  22           2HB      ASP  22   7.991   0.771   8.178
  156    HB3  ASP  22           1HB      ASP  22   8.148   1.577   9.729
  157    H    GLY  23           H        GLY  23   7.663   4.494   6.543
  158    HA2  GLY  23           2HA      GLY  23  10.432   4.983   7.369
  159    HA3  GLY  23           1HA      GLY  23   9.700   5.507   5.859
  160    H    GLY  24           H        GLY  24   7.375   6.302   8.050
  161    HA2  GLY  24           2HA      GLY  24   7.954   8.252   9.683
  162    HA3  GLY  24           1HA      GLY  24   8.440   9.040   8.198
  163    H    CYS  25           H        CYS  25   5.914   7.616   6.878
  164    HA   CYS  25           HA       CYS  25   4.152   9.858   7.620
  165    HB2  CYS  25           2HB      CYS  25   3.500   7.735   5.565
  166    HB3  CYS  25           1HB      CYS  25   2.834   9.351   5.691
  167    H    ASP  26           H        ASP  26   4.408   6.426   7.849
  168    HA   ASP  26           HA       ASP  26   3.195   4.730   8.783
  169    HB2  ASP  26           2HB      ASP  26   2.172   6.995  10.534
  170    HB3  ASP  26           1HB      ASP  26   1.805   5.298  10.816
  171    H    GLU  27           H        GLU  27   2.056   6.278   6.527
  172    HA   GLU  27           HA       GLU  27  -0.783   5.960   6.918
  173    HB2  GLU  27           2HB      GLU  27   0.791   6.984   4.525
  174    HB3  GLU  27           1HB      GLU  27  -0.957   6.928   4.635
  175    HG2  GLU  27           2HG      GLU  27  -0.931   8.441   6.545
  176    HG3  GLU  27           1HG      GLU  27   0.822   8.519   6.476
  177    H    TRP  28           H        TRP  28  -1.983   4.835   5.294
  178    HA   TRP  28           HA       TRP  28  -0.681   2.252   4.662
  179    HB2  TRP  28           2HB      TRP  28  -3.569   2.767   5.392
  180    HB3  TRP  28           1HB      TRP  28  -2.969   1.220   4.803
  181    HD1  TRP  28           HD       TRP  28  -2.567   3.594   7.846
  182    HE1  TRP  28           1HE      TRP  28  -1.817   2.182   9.850
  183    HE3  TRP  28           3HE      TRP  28  -1.927  -0.885   5.480
  184    HZ2  TRP  28           2HZ      TRP  28  -1.070  -0.489  10.364
  185    HZ3  TRP  28           3HZ      TRP  28  -1.195  -2.827   6.803
  186    HH2  TRP  28           HH       TRP  28  -0.767  -2.638   9.182
  187    H    PHE  29           H        PHE  29  -0.626   1.508   2.744
  188    HA   PHE  29           HA       PHE  29  -2.037   2.912   0.547
  189    HB2  PHE  29           2HB      PHE  29   0.609   1.424   0.424
  190    HB3  PHE  29           1HB      PHE  29  -0.102   2.434  -0.825
  191    HD1  PHE  29           1HD      PHE  29   1.314   2.505   2.576
  192    HD2  PHE  29           2HD      PHE  29   0.445   4.735  -0.919
  193    HE1  PHE  29           1HE      PHE  29   2.572   4.400   3.479
  194    HE2  PHE  29           2HE      PHE  29   1.712   6.633  -0.023
  195    HZ   PHE  29           HZ       PHE  29   2.773   6.451   2.200
  196    H    HIS  30           H        HIS  30  -2.635   1.565  -1.215
  197    HA   HIS  30           HA       HIS  30  -3.129  -1.287  -0.611
  198    HB2  HIS  30           2HB      HIS  30  -3.977   0.580  -2.707
  199    HB3  HIS  30           1HB      HIS  30  -4.222  -1.061  -3.122
  200    HD2  HIS  30           2HD      HIS  30  -6.141  -2.249  -1.104
  201    HE1  HIS  30           1HE      HIS  30  -8.061   1.494  -0.805
  202    HE2  HIS  30           2HE      HIS  30  -8.324  -1.006  -0.791
  203    H    GLN  31           H        GLN  31  -2.125  -2.887  -1.679
  204    HA   GLN  31           HA       GLN  31   0.355  -2.279  -2.820
  205    HB2  GLN  31           2HB      GLN  31  -1.154  -4.888  -2.755
  206    HB3  GLN  31           1HB      GLN  31   0.485  -4.722  -3.400
  207    HG2  GLN  31           2HG      GLN  31   1.289  -3.999  -1.240
  208    HG3  GLN  31           1HG      GLN  31  -0.334  -4.071  -0.573
  209   HE21  GLN  31          1HE2      GLN  31  -1.172  -6.070  -0.022
  210   HE22  GLN  31          2HE2      GLN  31  -0.231  -7.515  -0.021
  211    H    VAL  32           H        VAL  32  -2.702  -2.992  -4.433
  212    HA   VAL  32           HA       VAL  32  -1.471  -2.913  -7.019
  213    HB   VAL  32           HB       VAL  32  -3.641  -4.065  -6.730
  214   HG11  VAL  32          1HG1      VAL  32  -5.687  -2.757  -6.346
  215   HG12  VAL  32          2HG1      VAL  32  -4.636  -1.317  -6.263
  216   HG13  VAL  32          3HG1      VAL  32  -4.493  -2.559  -5.025
  217   HG21  VAL  32          3HG2      VAL  32  -3.060  -3.155  -8.933
  218   HG22  VAL  32          1HG2      VAL  32  -3.822  -1.642  -8.448
  219   HG23  VAL  32          2HG2      VAL  32  -4.819  -3.100  -8.645
  220    H    CYS  33           H        CYS  33  -3.026  -0.581  -5.046
  221    HA   CYS  33           HA       CYS  33  -3.188   1.509  -7.090
  222    HB2  CYS  33           2HB      CYS  33  -4.317   2.927  -5.552
  223    HB3  CYS  33           1HB      CYS  33  -4.785   1.328  -5.079
  224    H    VAL  34           H        VAL  34  -0.785   0.836  -4.543
  225    HA   VAL  34           HA       VAL  34   0.607   3.180  -5.477
  226    HB   VAL  34           HB       VAL  34   0.121   2.374  -2.922
  227   HG11  VAL  34          1HG1      VAL  34   2.632   1.049  -3.471
  228   HG12  VAL  34          2HG1      VAL  34   1.086   0.299  -3.068
  229   HG13  VAL  34          3HG1      VAL  34   1.901   1.346  -1.891
  230   HG21  VAL  34          3HG2      VAL  34   1.015   4.446  -3.604
  231   HG22  VAL  34          1HG2      VAL  34   2.597   3.713  -3.920
  232   HG23  VAL  34          2HG2      VAL  34   1.958   3.761  -2.259
  233    H    GLY  35           H        GLY  35   0.361   0.224  -6.473
  234    HA2  GLY  35           2HA      GLY  35   1.726  -1.383  -7.552
  235    HA3  GLY  35           1HA      GLY  35   2.857  -0.056  -7.730
  236    H    VAL  36           H        VAL  36   1.835  -2.562  -5.287
  237    HA   VAL  36           HA       VAL  36   4.612  -3.091  -4.658
  238    HB   VAL  36           HB       VAL  36   2.184  -3.037  -2.831
  239   HG11  VAL  36          1HG1      VAL  36   4.959  -4.096  -2.226
  240   HG12  VAL  36          2HG1      VAL  36   3.394  -4.918  -2.140
  241   HG13  VAL  36          3HG1      VAL  36   3.769  -3.676  -0.999
  242   HG21  VAL  36          3HG2      VAL  36   4.686  -1.349  -2.775
  243   HG22  VAL  36          1HG2      VAL  36   3.478  -1.404  -1.490
  244   HG23  VAL  36          2HG2      VAL  36   2.992  -0.842  -3.057
  245    H    SER  37           H        SER  37   4.965  -5.493  -4.496
  246    HA   SER  37           HA       SER  37   2.742  -6.963  -5.511
  247    HB2  SER  37           2HB      SER  37   4.540  -8.681  -5.847
  248    HB3  SER  37           1HB      SER  37   4.837  -7.166  -6.716
  249    HG   SER  37           HG       SER  37   6.699  -7.972  -5.577
  250    HA   PRO  38           HA       PRO  38   1.873  -8.669  -1.470
  251    HB2  PRO  38           2HB      PRO  38   1.595 -11.368  -2.058
  252    HB3  PRO  38           1HB      PRO  38   0.331 -10.174  -2.329
  253    HG2  PRO  38           2HG      PRO  38   2.352 -11.245  -4.242
  254    HG3  PRO  38           1HG      PRO  38   0.613 -11.011  -4.504
  255    HD2  PRO  38           2HD      PRO  38   2.369  -9.276  -5.479
  256    HD3  PRO  38           1HD      PRO  38   0.881  -8.670  -4.706
  257    H    GLU  39           H        GLU  39   4.458  -9.842  -3.365
  258    HA   GLU  39           HA       GLU  39   5.696 -11.553  -1.443
  259    HB2  GLU  39           2HB      GLU  39   5.958 -11.792  -3.889
  260    HB3  GLU  39           1HB      GLU  39   6.748 -10.229  -3.922
  261    HG2  GLU  39           2HG      GLU  39   8.581 -11.115  -2.582
  262    HG3  GLU  39           1HG      GLU  39   7.804 -12.700  -2.554
  263    H    MET  40           H        MET  40   5.870  -8.136  -2.382
  264    HA   MET  40           HA       MET  40   8.335  -7.624  -1.021
  265    HB2  MET  40           2HB      MET  40   7.335  -6.114  -2.993
  266    HB3  MET  40           1HB      MET  40   6.284  -5.588  -1.767
  267    HG2  MET  40           2HG      MET  40   7.738  -4.469  -0.530
  268    HG3  MET  40           1HG      MET  40   9.152  -5.373  -1.062
  269    HE1  MET  40           3HE      MET  40   6.551  -2.555  -2.018
  270    HE2  MET  40           1HE      MET  40   6.415  -3.653  -3.387
  271    HE3  MET  40           2HE      MET  40   7.124  -2.053  -3.607
  272    H    ALA  41           H        ALA  41   4.958  -7.275  -0.367
  273    HA   ALA  41           HA       ALA  41   5.025  -5.771   1.926
  274    HB1  ALA  41           1HB      ALA  41   2.748  -6.633   2.370
  275    HB2  ALA  41           2HB      ALA  41   3.033  -7.927   1.211
  276    HB3  ALA  41           3HB      ALA  41   2.987  -6.268   0.656
  277    H    GLU  42           H        GLU  42   5.135  -9.268   1.656
  278    HA   GLU  42           HA       GLU  42   5.444  -9.580   4.532
  279    HB2  GLU  42           2HB      GLU  42   5.662 -11.699   2.400
  280    HB3  GLU  42           1HB      GLU  42   5.673 -12.011   4.112
  281    HG2  GLU  42           2HG      GLU  42   3.390 -11.046   4.294
  282    HG3  GLU  42           1HG      GLU  42   3.362 -10.845   2.550
  283    H    ASN  43           H        ASN  43   7.764  -9.072   2.025
  284    HA   ASN  43           HA       ASN  43   9.765 -10.354   3.723
  285    HB2  ASN  43           2HB      ASN  43   9.736 -10.013   0.756
  286    HB3  ASN  43           1HB      ASN  43  11.170 -10.479   1.633
  287   HD21  ASN  43          1HD2      ASN  43   8.098 -11.446   0.490
  288   HD22  ASN  43          2HD2      ASN  43   8.309 -13.122   0.900
  289    H    GLU  44           H        GLU  44   9.008  -7.282   2.166
  290    HA   GLU  44           HA       GLU  44  11.568  -6.291   3.205
  291    HB2  GLU  44           2HB      GLU  44  10.240  -5.534   0.615
  292    HB3  GLU  44           1HB      GLU  44  11.514  -4.583   1.355
  293    HG2  GLU  44           2HG      GLU  44  13.044  -6.483   1.133
  294    HG3  GLU  44           1HG      GLU  44  11.755  -7.420   0.369
  295    H    ASP  45           H        ASP  45  11.613  -3.931   3.394
  296    HA   ASP  45           HA       ASP  45   9.351  -2.979   4.983
  297    HB2  ASP  45           2HB      ASP  45  11.738  -2.869   5.736
  298    HB3  ASP  45           1HB      ASP  45  12.055  -1.766   4.403
  299    H    TYR  46           H        TYR  46   7.815  -1.926   3.917
  300    HA   TYR  46           HA       TYR  46   8.358  -0.728   1.387
  301    HB2  TYR  46           2HB      TYR  46   6.204  -1.859   1.571
  302    HB3  TYR  46           1HB      TYR  46   5.684  -0.746   2.832
  303    HD1  TYR  46           1HD      TYR  46   7.107  -0.556  -0.643
  304    HD2  TYR  46           2HD      TYR  46   4.239   0.914   2.120
  305    HE1  TYR  46           1HE      TYR  46   6.293   1.006  -2.345
  306    HE2  TYR  46           2HE      TYR  46   3.384   2.511   0.330
  307    HH   TYR  46           HH       TYR  46   4.307   2.276  -2.882
  308    H    ILE  47           H        ILE  47   9.264   0.918   1.210
  309    HA   ILE  47           HA       ILE  47   8.764   3.368   2.792
  310    HB   ILE  47           HB       ILE  47  10.823   2.982   0.559
  311   HG12  ILE  47          2HG1      ILE  47  11.344   1.553   2.500
  312   HG13  ILE  47          1HG1      ILE  47  12.507   2.864   2.339
  313   HG21  ILE  47          1HG2      ILE  47  11.855   5.036   1.463
  314   HG22  ILE  47          2HG2      ILE  47  10.465   5.158   2.575
  315   HG23  ILE  47          3HG2      ILE  47  10.219   5.312   0.833
  316   HD11  ILE  47          3HD1      ILE  47  11.330   4.103   4.101
  317   HD12  ILE  47          1HD1      ILE  47  11.900   2.525   4.676
  318   HD13  ILE  47          2HD1      ILE  47  10.202   2.760   4.269
  319    H    CYS  48           H        CYS  48   7.747   5.357   1.737
  320    HA   CYS  48           HA       CYS  48   6.390   4.565  -0.723
  321    HB2  CYS  48           2HB      CYS  48   4.702   6.100  -0.159
  322    HB3  CYS  48           1HB      CYS  48   5.054   5.291   1.363
  323    H    ILE  49           H        ILE  49   5.848   6.627  -1.979
  324    HA   ILE  49           HA       ILE  49   8.104   7.791  -3.062
  325    HB   ILE  49           HB       ILE  49   6.020   7.690  -4.279
  326   HG12  ILE  49          2HG1      ILE  49   6.876  10.514  -3.817
  327   HG13  ILE  49          1HG1      ILE  49   7.720   9.360  -4.850
  328   HG21  ILE  49          1HG2      ILE  49   4.979   9.759  -2.362
  329   HG22  ILE  49          2HG2      ILE  49   4.422   8.093  -2.477
  330   HG23  ILE  49          3HG2      ILE  49   4.158   9.211  -3.824
  331   HD11  ILE  49          3HD1      ILE  49   4.923  10.387  -5.267
  332   HD12  ILE  49          1HD1      ILE  49   5.770   9.184  -6.247
  333   HD13  ILE  49          2HD1      ILE  49   6.381  10.848  -6.181
  334    H    ASN  50           H        ASN  50   6.071   9.022  -0.450
  335    HA   ASN  50           HA       ASN  50   7.403  11.564  -0.336
  336    HB2  ASN  50           2HB      ASN  50   5.427  10.271   1.544
  337    HB3  ASN  50           1HB      ASN  50   6.065  11.889   1.793
  338   HD21  ASN  50          1HD2      ASN  50   5.373  13.559   0.480
  339   HD22  ASN  50          2HD2      ASN  50   4.008  13.392  -0.571
  340    H    CYS  51           H        CYS  51   7.645   8.538   1.351
  341    HA   CYS  51           HA       CYS  51   9.486   9.450   3.354
  342    HB2  CYS  51           2HB      CYS  51   8.798   6.689   2.344
  343    HB3  CYS  51           1HB      CYS  51  10.059   6.947   3.532
  344    H    ALA  52           H        ALA  52   9.731   8.393   0.116
  345    HA   ALA  52           HA       ALA  52  12.575   7.773   0.243
  346    HB1  ALA  52           3HB      ALA  52  11.103   6.473  -1.188
  347    HB2  ALA  52           1HB      ALA  52  12.395   7.223  -2.137
  348    HB3  ALA  52           2HB      ALA  52  10.755   7.900  -2.156
  Start of MODEL    2
    1    HA   SER   1           HA       SER   1 -11.966   6.418   3.345
    2    HB2  SER   1           2HB      SER   1 -12.528   3.493   2.717
    3    HB3  SER   1           1HB      SER   1 -11.316   4.091   3.858
    4    HG   SER   1           HG       SER   1 -14.128   4.256   4.012
    5    H    VAL   2           H        VAL   2 -10.563   7.444   2.005
    6    HA   VAL   2           HA       VAL   2  -9.535   5.986  -0.308
    7    HB   VAL   2           HB       VAL   2  -9.265   8.937   0.415
    8   HG11  VAL   2          1HG1      VAL   2  -7.395   8.121  -0.938
    9   HG12  VAL   2          2HG1      VAL   2  -8.407   9.251  -1.831
   10   HG13  VAL   2          3HG1      VAL   2  -8.528   7.519  -2.160
   11   HG21  VAL   2          3HG2      VAL   2 -11.037   7.636  -1.668
   12   HG22  VAL   2          1HG2      VAL   2 -10.849   9.369  -1.400
   13   HG23  VAL   2          2HG2      VAL   2 -11.573   8.372  -0.158
   14    H    CYS   3           H        CYS   3  -7.348   5.387  -0.291
   15    HA   CYS   3           HA       CYS   3  -6.057   5.729   2.289
   16    HB2  CYS   3           2HB      CYS   3  -4.987   3.737   1.865
   17    HB3  CYS   3           1HB      CYS   3  -6.308   3.511   0.735
   18    H    ALA   4           H        ALA   4  -3.432   5.649   1.689
   19    HA   ALA   4           HA       ALA   4  -2.986   8.211   0.358
   20    HB1  ALA   4           1HB      ALA   4  -1.123   6.509   2.045
   21    HB2  ALA   4           2HB      ALA   4  -1.959   7.952   2.607
   22    HB3  ALA   4           3HB      ALA   4  -0.717   8.069   1.361
   23    H    ALA   5           H        ALA   5  -2.540   8.075  -1.789
   24    HA   ALA   5           HA       ALA   5  -0.214   6.824  -2.743
   25    HB1  ALA   5           1HB      ALA   5  -1.641   4.771  -2.705
   26    HB2  ALA   5           2HB      ALA   5  -1.156   5.203  -4.318
   27    HB3  ALA   5           3HB      ALA   5  -2.791   5.578  -3.765
   28    H    GLN   6           H        GLN   6   0.429   7.842  -4.654
   29    HA   GLN   6           HA       GLN   6  -0.481  10.155  -5.549
   30    HB2  GLN   6           2HB      GLN   6   0.580   7.950  -7.352
   31    HB3  GLN   6           1HB      GLN   6   0.668   9.667  -7.651
   32    HG2  GLN   6           2HG      GLN   6   2.216   9.919  -5.819
   33    HG3  GLN   6           1HG      GLN   6   2.013   8.204  -5.402
   34   HE21  GLN   6          1HE2      GLN   6   2.923   6.610  -6.743
   35   HE22  GLN   6          2HE2      GLN   6   4.116   7.008  -7.920
   36    H    ASN   7           H        ASN   7  -1.364   7.117  -6.773
   37    HA   ASN   7           HA       ASN   7  -4.038   8.166  -7.537
   38    HB2  ASN   7           2HB      ASN   7  -2.749   7.942  -9.664
   39    HB3  ASN   7           1HB      ASN   7  -2.464   6.249  -9.293
   40   HD21  ASN   7          1HD2      ASN   7  -4.175   4.776  -9.538
   41   HD22  ASN   7          2HD2      ASN   7  -5.620   5.173 -10.396
   42    H    CYS   8           H        CYS   8  -5.256   7.292  -6.005
   43    HA   CYS   8           HA       CYS   8  -4.780   4.521  -5.497
   44    HB2  CYS   8           2HB      CYS   8  -4.934   5.835  -3.485
   45    HB3  CYS   8           1HB      CYS   8  -6.511   6.455  -3.970
   46    H    GLN   9           H        GLN   9  -5.861   3.103  -6.485
   47    HA   GLN   9           HA       GLN   9  -8.096   3.544  -8.168
   48    HB2  GLN   9           2HB      GLN   9  -6.985   1.009  -6.994
   49    HB3  GLN   9           1HB      GLN   9  -8.143   1.014  -8.305
   50    HG2  GLN   9           2HG      GLN   9  -6.358   2.283  -9.642
   51    HG3  GLN   9           1HG      GLN   9  -5.303   1.965  -8.283
   52   HE21  GLN   9          1HE2      GLN   9  -3.896   0.697  -9.622
   53   HE22  GLN   9          2HE2      GLN   9  -4.362  -0.890 -10.081
   54    H    ARG  10           H        ARG  10  -7.911   3.356  -4.872
   55    HA   ARG  10           HA       ARG  10  -9.130   2.654  -3.081
   56    HB2  ARG  10           2HB      ARG  10 -10.209   4.773  -3.846
   57    HB3  ARG  10           1HB      ARG  10 -11.337   3.813  -4.792
   58    HG2  ARG  10           2HG      ARG  10 -12.277   2.860  -2.721
   59    HG3  ARG  10           1HG      ARG  10 -11.093   3.765  -1.775
   60    HD2  ARG  10           2HD      ARG  10 -12.021   5.857  -2.546
   61    HD3  ARG  10           1HD      ARG  10 -13.169   5.004  -3.574
   62    HE   ARG  10           HE       ARG  10 -13.465   4.164  -0.909
   63   HH11  ARG  10          1HH1      ARG  10 -14.066   7.004  -2.946
   64   HH12  ARG  10          2HH1      ARG  10 -15.353   7.609  -2.013
   65   HH21  ARG  10          1HH2      ARG  10 -15.289   5.027   0.426
   66   HH22  ARG  10          2HH2      ARG  10 -16.059   6.466  -0.037
   67    HA   PRO  11           HA       PRO  11 -11.041  -1.243  -4.897
   68    HB2  PRO  11           2HB      PRO  11  -8.613  -2.685  -4.175
   69    HB3  PRO  11           1HB      PRO  11  -9.363  -2.563  -5.779
   70    HG2  PRO  11           2HG      PRO  11  -6.979  -1.458  -5.181
   71    HG3  PRO  11           1HG      PRO  11  -8.122  -0.710  -6.316
   72    HD2  PRO  11           2HD      PRO  11  -7.689  -0.078  -3.402
   73    HD3  PRO  11           1HD      PRO  11  -7.777   1.042  -4.787
   74    H    CYS  12           H        CYS  12 -12.218  -2.367  -3.421
   75    HA   CYS  12           HA       CYS  12 -11.056  -2.769  -0.779
   76    HB2  CYS  12           2HB      CYS  12 -12.599  -0.887  -0.695
   77    HB3  CYS  12           1HB      CYS  12 -13.888  -1.871  -1.386
   78    HG   CYS  12           HG       CYS  12 -14.652  -3.026   0.783
   79    H    LYS  13           H        LYS  13 -10.888  -4.903  -0.484
   80    HA   LYS  13           HA       LYS  13 -13.075  -6.656  -1.296
   81    HB2  LYS  13           2HB      LYS  13 -10.138  -7.224  -1.802
   82    HB3  LYS  13           1HB      LYS  13 -11.480  -8.323  -2.085
   83    HG2  LYS  13           2HG      LYS  13 -12.306  -6.834  -3.850
   84    HG3  LYS  13           1HG      LYS  13 -10.935  -5.752  -3.555
   85    HD2  LYS  13           2HD      LYS  13  -9.386  -7.587  -4.094
   86    HD3  LYS  13           1HD      LYS  13 -10.742  -8.647  -4.428
   87    HE2  LYS  13           2HE      LYS  13 -11.464  -7.075  -6.227
   88    HE3  LYS  13           1HE      LYS  13 -10.000  -6.138  -5.897
   89    HZ1  LYS  13           3HZ      LYS  13 -10.100  -8.940  -6.812
   90    HZ2  LYS  13           1HZ      LYS  13  -8.685  -8.117  -6.417
   91    HZ3  LYS  13           2HZ      LYS  13  -9.592  -7.605  -7.729
   92    H    ASP  14           H        ASP  14 -12.748  -8.826  -0.144
   93    HA   ASP  14           HA       ASP  14 -11.912  -8.429   2.545
   94    HB2  ASP  14           2HB      ASP  14 -12.612 -10.953   1.001
   95    HB3  ASP  14           1HB      ASP  14 -12.184 -10.977   2.703
   96    H    LYS  15           H        LYS  15 -10.667 -10.633  -0.012
   97    HA   LYS  15           HA       LYS  15  -8.176 -10.974   1.160
   98    HB2  LYS  15           2HB      LYS  15  -9.050 -11.331  -1.693
   99    HB3  LYS  15           1HB      LYS  15  -7.657 -12.063  -0.936
  100    HG2  LYS  15           2HG      LYS  15  -8.993 -13.449   0.432
  101    HG3  LYS  15           1HG      LYS  15 -10.470 -12.594  -0.002
  102    HD2  LYS  15           2HD      LYS  15 -10.136 -13.306  -2.365
  103    HD3  LYS  15           1HD      LYS  15  -8.722 -14.216  -1.856
  104    HE2  LYS  15           2HE      LYS  15 -10.085 -15.655  -0.472
  105    HE3  LYS  15           1HE      LYS  15 -11.511 -14.667  -0.804
  106    HZ1  LYS  15           3HZ      LYS  15 -11.432 -15.283  -3.085
  107    HZ2  LYS  15           1HZ      LYS  15 -11.456 -16.693  -2.198
  108    HZ3  LYS  15           2HZ      LYS  15 -10.027 -16.180  -2.909
  109    H    VAL  16           H        VAL  16  -7.379  -8.742   1.487
  110    HA   VAL  16           HA       VAL  16  -5.519  -8.156  -0.442
  111    HB   VAL  16           HB       VAL  16  -7.244  -7.043  -1.754
  112   HG11  VAL  16          1HG1      VAL  16  -8.402  -5.057  -0.927
  113   HG12  VAL  16          2HG1      VAL  16  -7.649  -5.362   0.655
  114   HG13  VAL  16          3HG1      VAL  16  -8.815  -6.511   0.012
  115   HG21  VAL  16          3HG2      VAL  16  -5.464  -5.029  -0.428
  116   HG22  VAL  16          1HG2      VAL  16  -6.181  -4.881  -2.037
  117   HG23  VAL  16          2HG2      VAL  16  -4.940  -6.116  -1.704
  118    H    ASP  17           H        ASP  17  -4.114  -8.170   0.930
  119    HA   ASP  17           HA       ASP  17  -4.022  -6.733   3.357
  120    HB2  ASP  17           2HB      ASP  17  -1.731  -7.906   1.760
  121    HB3  ASP  17           1HB      ASP  17  -1.564  -7.242   3.382
  122    H    TRP  18           H        TRP  18  -3.178  -4.861   3.936
  123    HA   TRP  18           HA       TRP  18  -2.623  -2.864   1.849
  124    HB2  TRP  18           2HB      TRP  18  -3.533  -2.587   4.729
  125    HB3  TRP  18           1HB      TRP  18  -3.187  -1.235   3.657
  126    HD1  TRP  18           HD       TRP  18  -5.448  -4.387   3.247
  127    HE1  TRP  18           1HE      TRP  18  -7.763  -3.624   2.517
  128    HE3  TRP  18           3HE      TRP  18  -4.612   0.640   3.219
  129    HZ2  TRP  18           2HZ      TRP  18  -9.108  -1.155   2.024
  130    HZ3  TRP  18           3HZ      TRP  18  -6.465   2.144   2.614
  131    HH2  TRP  18           HH       TRP  18  -8.672   1.254   2.032
  132    H    VAL  19           H        VAL  19  -0.839  -1.148   2.504
  133    HA   VAL  19           HA       VAL  19   1.097  -2.384   4.258
  134    HB   VAL  19           HB       VAL  19   2.888  -1.560   2.732
  135   HG11  VAL  19          1HG1      VAL  19   2.706  -3.292   1.036
  136   HG12  VAL  19          2HG1      VAL  19   0.992  -3.495   1.435
  137   HG13  VAL  19          3HG1      VAL  19   2.218  -3.911   2.618
  138   HG21  VAL  19          3HG2      VAL  19   1.668   0.168   1.547
  139   HG22  VAL  19          1HG2      VAL  19   0.611  -1.047   0.824
  140   HG23  VAL  19          2HG2      VAL  19   2.304  -1.009   0.386
  141    H    GLN  20           H        GLN  20   2.116  -1.028   5.540
  142    HA   GLN  20           HA       GLN  20   1.343   1.807   5.440
  143    HB2  GLN  20           2HB      GLN  20   0.656   0.705   7.501
  144    HB3  GLN  20           1HB      GLN  20   2.298   0.123   7.775
  145    HG2  GLN  20           2HG      GLN  20   3.070   2.385   8.101
  146    HG3  GLN  20           1HG      GLN  20   1.464   3.024   7.745
  147   HE21  GLN  20          1HE2      GLN  20   3.128   3.350  10.132
  148   HE22  GLN  20          2HE2      GLN  20   2.206   2.771  11.447
  149    H    CYS  21           H        CYS  21   2.953   3.348   5.319
  150    HA   CYS  21           HA       CYS  21   5.604   2.262   4.877
  151    HB2  CYS  21           2HB      CYS  21   6.245   4.546   3.962
  152    HB3  CYS  21           1HB      CYS  21   4.795   3.930   3.204
  153    H    ASP  22           H        ASP  22   6.780   1.896   6.551
  154    HA   ASP  22           HA       ASP  22   6.405   3.438   9.005
  155    HB2  ASP  22           2HB      ASP  22   8.173   1.011   8.505
  156    HB3  ASP  22           1HB      ASP  22   7.994   1.808  10.050
  157    H    GLY  23           H        GLY  23   7.608   4.557   6.621
  158    HA2  GLY  23           2HA      GLY  23  10.410   4.951   7.370
  159    HA3  GLY  23           1HA      GLY  23   9.678   5.465   5.855
  160    H    GLY  24           H        GLY  24   7.374   6.442   7.810
  161    HA2  GLY  24           2HA      GLY  24   8.144   8.474   9.411
  162    HA3  GLY  24           1HA      GLY  24   8.461   9.155   7.832
  163    H    CYS  25           H        CYS  25   5.931   7.765   6.778
  164    HA   CYS  25           HA       CYS  25   4.222  10.035   7.545
  165    HB2  CYS  25           2HB      CYS  25   3.486   7.882   5.577
  166    HB3  CYS  25           1HB      CYS  25   2.849   9.518   5.683
  167    H    ASP  26           H        ASP  26   4.439   6.606   7.990
  168    HA   ASP  26           HA       ASP  26   3.192   4.998   9.014
  169    HB2  ASP  26           2HB      ASP  26   2.092   7.349  10.610
  170    HB3  ASP  26           1HB      ASP  26   1.842   5.655  11.001
  171    H    GLU  27           H        GLU  27   2.039   6.502   6.674
  172    HA   GLU  27           HA       GLU  27  -0.797   6.146   7.122
  173    HB2  GLU  27           2HB      GLU  27   0.724   7.283   4.775
  174    HB3  GLU  27           1HB      GLU  27  -1.031   7.173   4.805
  175    HG2  GLU  27           2HG      GLU  27  -0.971   8.602   6.878
  176    HG3  GLU  27           1HG      GLU  27   0.761   8.773   6.625
  177    H    TRP  28           H        TRP  28  -2.048   5.132   5.381
  178    HA   TRP  28           HA       TRP  28  -0.845   2.487   4.804
  179    HB2  TRP  28           2HB      TRP  28  -3.729   3.134   5.435
  180    HB3  TRP  28           1HB      TRP  28  -3.168   1.585   4.830
  181    HD1  TRP  28           HD       TRP  28  -2.723   3.858   7.920
  182    HE1  TRP  28           1HE      TRP  28  -2.119   2.353   9.915
  183    HE3  TRP  28           3HE      TRP  28  -2.313  -0.613   5.472
  184    HZ2  TRP  28           2HZ      TRP  28  -1.580  -0.392  10.404
  185    HZ3  TRP  28           3HZ      TRP  28  -1.762  -2.631   6.775
  186    HH2  TRP  28           HH       TRP  28  -1.401  -2.515   9.191
  187    H    PHE  29           H        PHE  29  -0.717   1.751   2.896
  188    HA   PHE  29           HA       PHE  29  -2.036   3.161   0.651
  189    HB2  PHE  29           2HB      PHE  29   0.664   1.723   0.570
  190    HB3  PHE  29           1HB      PHE  29  -0.047   2.735  -0.666
  191    HD1  PHE  29           1HD      PHE  29   1.053   2.930   2.860
  192    HD2  PHE  29           2HD      PHE  29   0.784   4.917  -0.882
  193    HE1  PHE  29           1HE      PHE  29   2.296   4.814   3.775
  194    HE2  PHE  29           2HE      PHE  29   2.038   6.816   0.046
  195    HZ   PHE  29           HZ       PHE  29   2.801   6.729   2.425
  196    H    HIS  30           H        HIS  30  -2.464   1.752  -1.189
  197    HA   HIS  30           HA       HIS  30  -3.029  -1.080  -0.488
  198    HB2  HIS  30           2HB      HIS  30  -3.848   0.688  -2.712
  199    HB3  HIS  30           1HB      HIS  30  -4.069  -0.979  -3.014
  200    HD2  HIS  30           2HD      HIS  30  -6.083  -2.031  -1.020
  201    HE1  HIS  30           1HE      HIS  30  -7.931   1.786  -0.991
  202    HE2  HIS  30           2HE      HIS  30  -8.288  -0.703  -0.874
  203    H    GLN  31           H        GLN  31  -1.899  -2.693  -1.408
  204    HA   GLN  31           HA       GLN  31   0.548  -2.207  -2.580
  205    HB2  GLN  31           2HB      GLN  31  -1.116  -4.719  -2.677
  206    HB3  GLN  31           1HB      GLN  31   0.484  -4.617  -3.393
  207    HG2  GLN  31           2HG      GLN  31   1.460  -4.096  -1.284
  208    HG3  GLN  31           1HG      GLN  31  -0.126  -4.047  -0.524
  209   HE21  GLN  31          1HE2      GLN  31  -1.113  -5.965  -0.038
  210   HE22  GLN  31          2HE2      GLN  31  -0.348  -7.495  -0.146
  211    H    VAL  32           H        VAL  32  -2.458  -3.001  -4.304
  212    HA   VAL  32           HA       VAL  32  -1.189  -2.957  -6.822
  213    HB   VAL  32           HB       VAL  32  -3.331  -4.147  -6.510
  214   HG11  VAL  32          1HG1      VAL  32  -5.428  -2.859  -6.323
  215   HG12  VAL  32          2HG1      VAL  32  -4.419  -1.400  -6.228
  216   HG13  VAL  32          3HG1      VAL  32  -4.325  -2.599  -4.945
  217   HG21  VAL  32          3HG2      VAL  32  -4.480  -3.321  -8.519
  218   HG22  VAL  32          1HG2      VAL  32  -2.715  -3.427  -8.741
  219   HG23  VAL  32          2HG2      VAL  32  -3.483  -1.867  -8.420
  220    H    CYS  33           H        CYS  33  -2.856  -0.603  -5.054
  221    HA   CYS  33           HA       CYS  33  -2.960   1.406  -7.144
  222    HB2  CYS  33           2HB      CYS  33  -4.144   2.850  -5.690
  223    HB3  CYS  33           1HB      CYS  33  -4.573   1.275  -5.129
  224    H    VAL  34           H        VAL  34  -0.510   0.734  -4.614
  225    HA   VAL  34           HA       VAL  34   0.891   3.024  -5.617
  226    HB   VAL  34           HB       VAL  34   0.404   2.392  -3.037
  227   HG11  VAL  34          1HG1      VAL  34   2.031   1.322  -1.866
  228   HG12  VAL  34          2HG1      VAL  34   2.858   0.984  -3.370
  229   HG13  VAL  34          3HG1      VAL  34   1.273   0.248  -3.071
  230   HG21  VAL  34          3HG2      VAL  34   2.956   3.508  -4.063
  231   HG22  VAL  34          1HG2      VAL  34   2.320   3.680  -2.401
  232   HG23  VAL  34          2HG2      VAL  34   1.399   4.343  -3.755
  233    H    GLY  35           H        GLY  35   0.524   0.168  -6.703
  234    HA2  GLY  35           2HA      GLY  35   1.714  -1.338  -8.007
  235    HA3  GLY  35           1HA      GLY  35   2.953  -0.123  -8.097
  236    H    VAL  36           H        VAL  36   1.975  -1.935  -5.180
  237    HA   VAL  36           HA       VAL  36   4.662  -3.046  -4.932
  238    HB   VAL  36           HB       VAL  36   2.291  -2.958  -3.082
  239   HG11  VAL  36          1HG1      VAL  36   3.377  -4.890  -2.482
  240   HG12  VAL  36          2HG1      VAL  36   3.970  -3.742  -1.279
  241   HG13  VAL  36          3HG1      VAL  36   4.967  -4.223  -2.677
  242   HG21  VAL  36          3HG2      VAL  36   3.255  -0.826  -3.327
  243   HG22  VAL  36          1HG2      VAL  36   4.880  -1.436  -2.994
  244   HG23  VAL  36          2HG2      VAL  36   3.663  -1.448  -1.722
  245    H    SER  37           H        SER  37   4.982  -5.458  -4.702
  246    HA   SER  37           HA       SER  37   2.778  -6.926  -5.779
  247    HB2  SER  37           2HB      SER  37   4.618  -8.622  -6.080
  248    HB3  SER  37           1HB      SER  37   4.883  -7.133  -6.981
  249    HG   SER  37           HG       SER  37   6.664  -6.875  -5.892
  250    HA   PRO  38           HA       PRO  38   1.927  -8.572  -1.738
  251    HB2  PRO  38           2HB      PRO  38   1.643 -11.281  -2.238
  252    HB3  PRO  38           1HB      PRO  38   0.399 -10.070  -2.574
  253    HG2  PRO  38           2HG      PRO  38   2.448 -11.219  -4.430
  254    HG3  PRO  38           1HG      PRO  38   0.709 -10.994  -4.725
  255    HD2  PRO  38           2HD      PRO  38   2.479  -9.287  -5.726
  256    HD3  PRO  38           1HD      PRO  38   0.969  -8.672  -5.012
  257    H    GLU  39           H        GLU  39   4.585  -9.796  -3.582
  258    HA   GLU  39           HA       GLU  39   5.754 -11.435  -1.560
  259    HB2  GLU  39           2HB      GLU  39   6.106 -11.802  -3.977
  260    HB3  GLU  39           1HB      GLU  39   6.909 -10.252  -4.103
  261    HG2  GLU  39           2HG      GLU  39   8.669 -11.022  -2.633
  262    HG3  GLU  39           1HG      GLU  39   7.869 -12.592  -2.481
  263    H    MET  40           H        MET  40   5.906  -8.061  -2.599
  264    HA   MET  40           HA       MET  40   8.392  -7.532  -1.274
  265    HB2  MET  40           2HB      MET  40   7.385  -6.131  -3.264
  266    HB3  MET  40           1HB      MET  40   6.424  -5.433  -2.008
  267    HG2  MET  40           2HG      MET  40   8.073  -4.547  -0.831
  268    HG3  MET  40           1HG      MET  40   9.394  -5.448  -1.607
  269    HE1  MET  40           3HE      MET  40   7.326  -1.568  -3.040
  270    HE2  MET  40           1HE      MET  40   7.351  -2.210  -1.397
  271    HE3  MET  40           2HE      MET  40   6.404  -3.021  -2.640
  272    H    ALA  41           H        ALA  41   5.016  -7.091  -0.501
  273    HA   ALA  41           HA       ALA  41   5.203  -5.359   1.660
  274    HB1  ALA  41           1HB      ALA  41   3.153  -7.566   1.287
  275    HB2  ALA  41           2HB      ALA  41   3.068  -5.982   0.536
  276    HB3  ALA  41           3HB      ALA  41   2.951  -6.123   2.272
  277    H    GLU  42           H        GLU  42   5.212  -8.822   1.724
  278    HA   GLU  42           HA       GLU  42   5.710  -8.816   4.607
  279    HB2  GLU  42           2HB      GLU  42   5.407 -11.247   2.830
  280    HB3  GLU  42           1HB      GLU  42   5.474 -11.259   4.588
  281    HG2  GLU  42           2HG      GLU  42   3.454  -9.926   4.654
  282    HG3  GLU  42           1HG      GLU  42   3.332 -10.016   2.889
  283    H    ASN  43           H        ASN  43   7.756  -8.818   1.902
  284    HA   ASN  43           HA       ASN  43   9.808 -10.239   3.423
  285    HB2  ASN  43           2HB      ASN  43   9.404 -10.049   0.465
  286    HB3  ASN  43           1HB      ASN  43  10.956 -10.475   1.172
  287   HD21  ASN  43          1HD2      ASN  43   8.998 -11.995  -0.497
  288   HD22  ASN  43          2HD2      ASN  43   8.655 -13.436   0.396
  289    H    GLU  44           H        GLU  44   9.214  -7.194   1.784
  290    HA   GLU  44           HA       GLU  44  11.848  -6.370   2.723
  291    HB2  GLU  44           2HB      GLU  44  10.748  -5.707  -0.020
  292    HB3  GLU  44           1HB      GLU  44  12.115  -4.874   0.685
  293    HG2  GLU  44           2HG      GLU  44  13.293  -7.034   0.822
  294    HG3  GLU  44           1HG      GLU  44  11.970  -7.804  -0.046
  295    H    ASP  45           H        ASP  45  12.133  -3.968   2.727
  296    HA   ASP  45           HA       ASP  45  10.120  -2.902   4.461
  297    HB2  ASP  45           2HB      ASP  45  12.534  -1.517   3.257
  298    HB3  ASP  45           1HB      ASP  45  11.608  -0.998   4.646
  299    H    TYR  46           H        TYR  46   8.304  -2.065   3.644
  300    HA   TYR  46           HA       TYR  46   8.287  -0.783   1.069
  301    HB2  TYR  46           2HB      TYR  46   6.237  -1.946   1.546
  302    HB3  TYR  46           1HB      TYR  46   6.042  -1.061   3.086
  303    HD1  TYR  46           1HD      TYR  46   5.948  -0.723  -0.606
  304    HD2  TYR  46           2HD      TYR  46   5.037   1.072   3.132
  305    HE1  TYR  46           1HE      TYR  46   4.660   1.102  -1.753
  306    HE2  TYR  46           2HE      TYR  46   3.781   2.843   1.973
  307    HH   TYR  46           HH       TYR  46   2.902   2.649  -1.211
  308    H    ILE  47           H        ILE  47   9.140   0.895   0.843
  309    HA   ILE  47           HA       ILE  47   8.747   3.227   2.653
  310    HB   ILE  47           HB       ILE  47  10.742   3.058   0.337
  311   HG12  ILE  47          2HG1      ILE  47  11.360   1.437   2.109
  312   HG13  ILE  47          1HG1      ILE  47  12.490   2.780   2.038
  313   HG21  ILE  47          1HG2      ILE  47  10.405   5.014   2.577
  314   HG22  ILE  47          2HG2      ILE  47  10.112   5.308   0.849
  315   HG23  ILE  47          3HG2      ILE  47  11.763   5.026   1.433
  316   HD11  ILE  47          3HD1      ILE  47  10.279   2.424   4.070
  317   HD12  ILE  47          1HD1      ILE  47  11.391   3.792   3.977
  318   HD13  ILE  47          2HD1      ILE  47  12.012   2.188   4.342
  319    H    CYS  48           H        CYS  48   7.828   5.355   1.632
  320    HA   CYS  48           HA       CYS  48   6.330   4.642  -0.765
  321    HB2  CYS  48           2HB      CYS  48   4.635   6.056  -0.025
  322    HB3  CYS  48           1HB      CYS  48   5.160   5.253   1.464
  323    H    ILE  49           H        ILE  49   5.737   6.777  -1.856
  324    HA   ILE  49           HA       ILE  49   7.951   7.974  -3.012
  325    HB   ILE  49           HB       ILE  49   5.842   7.928  -4.112
  326   HG12  ILE  49          2HG1      ILE  49   6.656  10.741  -3.541
  327   HG13  ILE  49          1HG1      ILE  49   7.452   9.680  -4.703
  328   HG21  ILE  49          1HG2      ILE  49   3.964   9.395  -3.490
  329   HG22  ILE  49          2HG2      ILE  49   4.843   9.847  -2.019
  330   HG23  ILE  49          3HG2      ILE  49   4.317   8.184  -2.258
  331   HD11  ILE  49          3HD1      ILE  49   5.992  11.203  -5.872
  332   HD12  ILE  49          1HD1      ILE  49   4.618  10.671  -4.871
  333   HD13  ILE  49          2HD1      ILE  49   5.395   9.517  -5.940
  334    H    ASN  50           H        ASN  50   5.994   9.179  -0.300
  335    HA   ASN  50           HA       ASN  50   7.376  11.702  -0.108
  336    HB2  ASN  50           2HB      ASN  50   5.502  10.306   1.827
  337    HB3  ASN  50           1HB      ASN  50   6.162  11.920   2.072
  338   HD21  ASN  50          1HD2      ASN  50   5.351  13.618   0.851
  339   HD22  ASN  50          2HD2      ASN  50   3.892  13.452  -0.061
  340    H    CYS  51           H        CYS  51   7.691   8.592   1.329
  341    HA   CYS  51           HA       CYS  51   9.575   9.421   3.356
  342    HB2  CYS  51           2HB      CYS  51   8.754   6.680   2.391
  343    HB3  CYS  51           1HB      CYS  51  10.035   6.919   3.557
  344    H    ALA  52           H        ALA  52   9.732   8.387   0.084
  345    HA   ALA  52           HA       ALA  52  12.556   7.722   0.210
  346    HB1  ALA  52           3HB      ALA  52  10.700   7.824  -2.158
  347    HB2  ALA  52           1HB      ALA  52  11.070   6.408  -1.181
  348    HB3  ALA  52           2HB      ALA  52  12.342   7.167  -2.170
  Start of MODEL    3
    1    HA   SER   1           HA       SER   1 -12.537   5.269   3.002
    2    HB2  SER   1           2HB      SER   1 -14.780   6.354   2.618
    3    HB3  SER   1           1HB      SER   1 -14.154   7.074   1.145
    4    HG   SER   1           HG       SER   1 -14.497   4.349   1.746
    5    H    VAL   2           H        VAL   2 -10.552   7.489   2.160
    6    HA   VAL   2           HA       VAL   2  -9.564   6.186  -0.300
    7    HB   VAL   2           HB       VAL   2  -9.126   9.079   0.550
    8   HG11  VAL   2          1HG1      VAL   2  -8.232   9.376  -1.731
    9   HG12  VAL   2          2HG1      VAL   2  -8.412   7.646  -1.995
   10   HG13  VAL   2          3HG1      VAL   2  -7.294   8.250  -0.763
   11   HG21  VAL   2          3HG2      VAL   2 -10.596   9.718  -1.346
   12   HG22  VAL   2          1HG2      VAL   2 -11.461   8.816  -0.101
   13   HG23  VAL   2          2HG2      VAL   2 -10.966   8.016  -1.586
   14    H    CYS   3           H        CYS   3  -7.389   5.509  -0.138
   15    HA   CYS   3           HA       CYS   3  -6.273   5.815   2.560
   16    HB2  CYS   3           2HB      CYS   3  -5.176   3.791   2.267
   17    HB3  CYS   3           1HB      CYS   3  -6.506   3.514   1.149
   18    H    ALA   4           H        ALA   4  -3.584   5.555   2.121
   19    HA   ALA   4           HA       ALA   4  -2.953   8.100   0.850
   20    HB1  ALA   4           1HB      ALA   4  -1.946   7.656   3.040
   21    HB2  ALA   4           2HB      ALA   4  -0.667   7.665   1.812
   22    HB3  ALA   4           3HB      ALA   4  -1.281   6.145   2.431
   23    H    ALA   5           H        ALA   5  -2.619   7.984  -1.286
   24    HA   ALA   5           HA       ALA   5  -0.330   6.673  -2.335
   25    HB1  ALA   5           1HB      ALA   5  -1.825   4.684  -2.426
   26    HB2  ALA   5           2HB      ALA   5  -1.460   5.235  -4.044
   27    HB3  ALA   5           3HB      ALA   5  -3.020   5.606  -3.322
   28    H    GLN   6           H        GLN   6   0.330   7.788  -4.253
   29    HA   GLN   6           HA       GLN   6  -0.621  10.132  -5.107
   30    HB2  GLN   6           2HB      GLN   6   0.340   7.923  -6.978
   31    HB3  GLN   6           1HB      GLN   6   0.426   9.656  -7.255
   32    HG2  GLN   6           2HG      GLN   6   2.082   9.846  -5.518
   33    HG3  GLN   6           1HG      GLN   6   1.895   8.128  -5.148
   34   HE21  GLN   6          1HE2      GLN   6   2.704   6.559  -6.627
   35   HE22  GLN   6          2HE2      GLN   6   3.829   7.022  -7.839
   36    H    ASN   7           H        ASN   7  -1.536   7.071  -6.176
   37    HA   ASN   7           HA       ASN   7  -4.135   8.098  -7.184
   38    HB2  ASN   7           2HB      ASN   7  -2.774   7.664  -9.137
   39    HB3  ASN   7           1HB      ASN   7  -2.414   6.031  -8.576
   40   HD21  ASN   7          1HD2      ASN   7  -3.934   4.452  -8.792
   41   HD22  ASN   7          2HD2      ASN   7  -5.360   4.621  -9.752
   42    H    CYS   8           H        CYS   8  -5.482   7.341  -5.547
   43    HA   CYS   8           HA       CYS   8  -5.109   4.557  -5.001
   44    HB2  CYS   8           2HB      CYS   8  -5.200   5.892  -2.961
   45    HB3  CYS   8           1HB      CYS   8  -6.788   6.521  -3.436
   46    H    GLN   9           H        GLN   9  -6.123   3.270  -6.157
   47    HA   GLN   9           HA       GLN   9  -8.361   3.751  -7.796
   48    HB2  GLN   9           2HB      GLN   9  -7.233   1.201  -6.708
   49    HB3  GLN   9           1HB      GLN   9  -8.359   1.251  -8.033
   50    HG2  GLN   9           2HG      GLN   9  -6.611   2.551  -9.314
   51    HG3  GLN   9           1HG      GLN   9  -5.531   2.283  -7.948
   52   HE21  GLN   9          1HE2      GLN   9  -4.076   1.045  -9.152
   53   HE22  GLN   9          2HE2      GLN   9  -4.469  -0.548  -9.694
   54    H    ARG  10           H        ARG  10  -8.175   3.372  -4.473
   55    HA   ARG  10           HA       ARG  10  -9.475   2.651  -2.759
   56    HB2  ARG  10           2HB      ARG  10 -11.605   3.571  -4.675
   57    HB3  ARG  10           1HB      ARG  10 -11.905   3.204  -2.985
   58    HG2  ARG  10           2HG      ARG  10 -10.392   5.006  -2.334
   59    HG3  ARG  10           1HG      ARG  10 -10.088   5.377  -4.040
   60    HD2  ARG  10           2HD      ARG  10 -11.726   6.909  -3.186
   61    HD3  ARG  10           1HD      ARG  10 -12.480   5.800  -4.325
   62    HE   ARG  10           HE       ARG  10 -12.659   5.195  -1.472
   63   HH11  ARG  10          1HH1      ARG  10 -14.276   6.244  -4.444
   64   HH12  ARG  10          2HH1      ARG  10 -15.851   5.993  -3.827
   65   HH21  ARG  10          1HH2      ARG  10 -14.833   4.939  -0.620
   66   HH22  ARG  10          2HH2      ARG  10 -16.166   5.253  -1.627
   67    HA   PRO  11           HA       PRO  11 -10.786  -1.285  -5.244
   68    HB2  PRO  11           2HB      PRO  11  -8.469  -2.586  -3.944
   69    HB3  PRO  11           1HB      PRO  11  -8.965  -2.627  -5.643
   70    HG2  PRO  11           2HG      PRO  11  -6.800  -1.273  -4.887
   71    HG3  PRO  11           1HG      PRO  11  -7.901  -0.640  -6.140
   72    HD2  PRO  11           2HD      PRO  11  -7.714   0.101  -3.240
   73    HD3  PRO  11           1HD      PRO  11  -7.839   1.149  -4.669
   74    H    CYS  12           H        CYS  12 -12.245  -2.477  -4.258
   75    HA   CYS  12           HA       CYS  12 -12.021  -2.718  -1.380
   76    HB2  CYS  12           2HB      CYS  12 -14.481  -2.506  -3.088
   77    HB3  CYS  12           1HB      CYS  12 -14.481  -2.752  -1.339
   78    HG   CYS  12           HG       CYS  12 -13.005   0.026  -2.728
   79    H    LYS  13           H        LYS  13 -11.092  -4.668  -1.240
   80    HA   LYS  13           HA       LYS  13 -12.842  -6.894  -1.828
   81    HB2  LYS  13           2HB      LYS  13  -9.869  -6.821  -2.292
   82    HB3  LYS  13           1HB      LYS  13 -10.770  -8.318  -2.145
   83    HG2  LYS  13           2HG      LYS  13 -12.095  -7.548  -4.171
   84    HG3  LYS  13           1HG      LYS  13 -10.904  -6.246  -4.327
   85    HD2  LYS  13           2HD      LYS  13  -9.094  -7.821  -4.538
   86    HD3  LYS  13           1HD      LYS  13 -10.186  -9.169  -4.221
   87    HE2  LYS  13           2HE      LYS  13 -11.386  -8.598  -6.318
   88    HE3  LYS  13           1HE      LYS  13 -10.177  -7.345  -6.622
   89    HZ1  LYS  13           3HZ      LYS  13  -9.715  -9.393  -7.795
   90    HZ2  LYS  13           1HZ      LYS  13  -9.611 -10.243  -6.341
   91    HZ3  LYS  13           2HZ      LYS  13  -8.472  -9.063  -6.714
   92    H    ASP  14           H        ASP  14 -12.674  -8.539  -0.280
   93    HA   ASP  14           HA       ASP  14 -11.775  -7.548   2.275
   94    HB2  ASP  14           2HB      ASP  14 -12.986 -10.176   1.461
   95    HB3  ASP  14           1HB      ASP  14 -12.605  -9.760   3.125
   96    H    LYS  15           H        LYS  15 -10.783 -10.238  -0.001
   97    HA   LYS  15           HA       LYS  15  -8.547 -10.740   1.619
   98    HB2  LYS  15           2HB      LYS  15  -9.255 -11.676  -1.172
   99    HB3  LYS  15           1HB      LYS  15  -8.059 -12.355  -0.080
  100    HG2  LYS  15           2HG      LYS  15  -9.791 -13.077   1.441
  101    HG3  LYS  15           1HG      LYS  15 -11.030 -12.316   0.434
  102    HD2  LYS  15           2HD      LYS  15 -10.427 -13.821  -1.406
  103    HD3  LYS  15           1HD      LYS  15  -9.222 -14.586  -0.372
  104    HE2  LYS  15           2HE      LYS  15 -11.022 -15.203   1.200
  105    HE3  LYS  15           1HE      LYS  15 -12.195 -14.497   0.110
  106    HZ1  LYS  15           3HZ      LYS  15 -12.074 -16.875  -0.172
  107    HZ2  LYS  15           1HZ      LYS  15 -10.428 -16.781  -0.554
  108    HZ3  LYS  15           2HZ      LYS  15 -11.553 -16.097  -1.586
  109    H    VAL  16           H        VAL  16  -7.456  -8.682   1.620
  110    HA   VAL  16           HA       VAL  16  -5.540  -8.486  -0.403
  111    HB   VAL  16           HB       VAL  16  -7.215  -7.304  -1.736
  112   HG11  VAL  16          1HG1      VAL  16  -7.499  -5.525   0.636
  113   HG12  VAL  16          2HG1      VAL  16  -8.696  -6.676   0.038
  114   HG13  VAL  16          3HG1      VAL  16  -8.301  -5.242  -0.921
  115   HG21  VAL  16          3HG2      VAL  16  -6.094  -5.168  -2.102
  116   HG22  VAL  16          1HG2      VAL  16  -4.888  -6.438  -1.823
  117   HG23  VAL  16          2HG2      VAL  16  -5.292  -5.308  -0.532
  118    H    ASP  17           H        ASP  17  -3.969  -8.279   0.773
  119    HA   ASP  17           HA       ASP  17  -3.811  -6.888   3.216
  120    HB2  ASP  17           2HB      ASP  17  -1.503  -7.912   1.544
  121    HB3  ASP  17           1HB      ASP  17  -1.439  -7.428   3.242
  122    H    TRP  18           H        TRP  18  -2.739  -5.089   3.839
  123    HA   TRP  18           HA       TRP  18  -2.395  -2.925   1.838
  124    HB2  TRP  18           2HB      TRP  18  -3.220  -2.861   4.757
  125    HB3  TRP  18           1HB      TRP  18  -2.929  -1.432   3.759
  126    HD1  TRP  18           HD       TRP  18  -5.116  -4.588   3.147
  127    HE1  TRP  18           1HE      TRP  18  -7.437  -3.845   2.537
  128    HE3  TRP  18           3HE      TRP  18  -4.401   0.441   3.578
  129    HZ2  TRP  18           2HZ      TRP  18  -8.863  -1.363   2.288
  130    HZ3  TRP  18           3HZ      TRP  18  -6.294   1.940   3.142
  131    HH2  TRP  18           HH       TRP  18  -8.492   1.053   2.514
  132    H    VAL  19           H        VAL  19  -0.668  -1.210   2.471
  133    HA   VAL  19           HA       VAL  19   1.379  -2.468   4.055
  134    HB   VAL  19           HB       VAL  19   3.093  -1.530   2.462
  135   HG11  VAL  19          1HG1      VAL  19   1.189  -3.505   1.229
  136   HG12  VAL  19          2HG1      VAL  19   2.479  -3.864   2.368
  137   HG13  VAL  19          3HG1      VAL  19   2.875  -3.264   0.768
  138   HG21  VAL  19          3HG2      VAL  19   2.405  -0.876   0.198
  139   HG22  VAL  19          1HG2      VAL  19   1.702   0.176   1.419
  140   HG23  VAL  19          2HG2      VAL  19   0.714  -1.067   0.653
  141    H    GLN  20           H        GLN  20   2.376  -1.143   5.391
  142    HA   GLN  20           HA       GLN  20   1.572   1.689   5.477
  143    HB2  GLN  20           2HB      GLN  20   1.180   0.287   7.520
  144    HB3  GLN  20           1HB      GLN  20   2.882  -0.068   7.559
  145    HG2  GLN  20           2HG      GLN  20   3.385   2.335   7.900
  146    HG3  GLN  20           1HG      GLN  20   1.657   2.644   7.908
  147   HE21  GLN  20          1HE2      GLN  20   3.694   3.040  10.011
  148   HE22  GLN  20          2HE2      GLN  20   3.124   2.217  11.375
  149    H    CYS  21           H        CYS  21   3.153   3.273   5.259
  150    HA   CYS  21           HA       CYS  21   5.753   2.193   4.609
  151    HB2  CYS  21           2HB      CYS  21   6.396   4.465   3.714
  152    HB3  CYS  21           1HB      CYS  21   4.886   3.929   3.077
  153    H    ASP  22           H        ASP  22   6.872   1.642   6.172
  154    HA   ASP  22           HA       ASP  22   6.769   2.952   8.777
  155    HB2  ASP  22           2HB      ASP  22   8.341   0.528   7.807
  156    HB3  ASP  22           1HB      ASP  22   8.456   1.166   9.436
  157    H    GLY  23           H        GLY  23   7.926   4.196   6.366
  158    HA2  GLY  23           2HA      GLY  23  10.728   4.511   7.173
  159    HA3  GLY  23           1HA      GLY  23  10.091   4.886   5.570
  160    H    GLY  24           H        GLY  24   7.871   6.045   7.842
  161    HA2  GLY  24           2HA      GLY  24   8.827   8.222   9.051
  162    HA3  GLY  24           1HA      GLY  24   8.936   8.724   7.379
  163    H    CYS  25           H        CYS  25   6.323   7.488   6.631
  164    HA   CYS  25           HA       CYS  25   4.763   9.744   7.677
  165    HB2  CYS  25           2HB      CYS  25   3.777   7.833   5.565
  166    HB3  CYS  25           1HB      CYS  25   3.269   9.491   5.860
  167    H    ASP  26           H        ASP  26   4.930   6.299   7.723
  168    HA   ASP  26           HA       ASP  26   3.745   4.599   8.631
  169    HB2  ASP  26           2HB      ASP  26   2.977   6.773  10.599
  170    HB3  ASP  26           1HB      ASP  26   2.557   5.089  10.820
  171    H    GLU  27           H        GLU  27   2.402   6.277   6.561
  172    HA   GLU  27           HA       GLU  27  -0.357   5.913   7.273
  173    HB2  GLU  27           2HB      GLU  27   0.886   7.072   4.791
  174    HB3  GLU  27           1HB      GLU  27  -0.840   6.928   5.024
  175    HG2  GLU  27           2HG      GLU  27  -0.667   8.340   7.042
  176    HG3  GLU  27           1HG      GLU  27   1.054   8.538   6.742
  177    H    TRP  28           H        TRP  28  -1.830   4.970   5.577
  178    HA   TRP  28           HA       TRP  28  -0.747   2.290   4.945
  179    HB2  TRP  28           2HB      TRP  28  -3.571   3.073   5.717
  180    HB3  TRP  28           1HB      TRP  28  -3.063   1.454   5.245
  181    HD1  TRP  28           HD       TRP  28  -2.368   4.040   8.052
  182    HE1  TRP  28           1HE      TRP  28  -1.648   2.768  10.148
  183    HE3  TRP  28           3HE      TRP  28  -2.268  -0.680   6.112
  184    HZ2  TRP  28           2HZ      TRP  28  -1.113   0.106  10.900
  185    HZ3  TRP  28           3HZ      TRP  28  -1.648  -2.550   7.594
  186    HH2  TRP  28           HH       TRP  28  -1.077  -2.153   9.943
  187    H    PHE  29           H        PHE  29  -0.647   1.659   2.995
  188    HA   PHE  29           HA       PHE  29  -2.101   3.094   0.868
  189    HB2  PHE  29           2HB      PHE  29   0.576   1.635   0.610
  190    HB3  PHE  29           1HB      PHE  29  -0.199   2.688  -0.550
  191    HD1  PHE  29           1HD      PHE  29   1.033   2.884   2.966
  192    HD2  PHE  29           2HD      PHE  29   0.721   4.818  -0.809
  193    HE1  PHE  29           1HE      PHE  29   2.349   4.745   3.824
  194    HE2  PHE  29           2HE      PHE  29   2.041   6.706   0.060
  195    HZ   PHE  29           HZ       PHE  29   2.863   6.641   2.425
  196    H    HIS  30           H        HIS  30  -2.604   1.701  -0.951
  197    HA   HIS  30           HA       HIS  30  -3.158  -1.140  -0.291
  198    HB2  HIS  30           2HB      HIS  30  -4.056   0.690  -2.466
  199    HB3  HIS  30           1HB      HIS  30  -4.272  -0.963  -2.794
  200    HD2  HIS  30           2HD      HIS  30  -6.282  -2.085  -0.793
  201    HE1  HIS  30           1HE      HIS  30  -8.093   1.732  -0.563
  202    HE2  HIS  30           2HE      HIS  30  -8.428  -0.765  -0.369
  203    H    GLN  31           H        GLN  31  -2.044  -2.781  -1.286
  204    HA   GLN  31           HA       GLN  31   0.347  -2.207  -2.520
  205    HB2  GLN  31           2HB      GLN  31  -1.236  -4.788  -2.609
  206    HB3  GLN  31           1HB      GLN  31   0.337  -4.613  -3.373
  207    HG2  GLN  31           2HG      GLN  31   1.325  -4.080  -1.198
  208    HG3  GLN  31           1HG      GLN  31  -0.223  -4.256  -0.418
  209   HE21  GLN  31          1HE2      GLN  31  -1.104  -6.290  -0.183
  210   HE22  GLN  31          2HE2      GLN  31  -0.196  -7.729  -0.379
  211    H    VAL  32           H        VAL  32  -2.723  -2.991  -4.165
  212    HA   VAL  32           HA       VAL  32  -1.530  -2.837  -6.742
  213    HB   VAL  32           HB       VAL  32  -3.645  -4.065  -6.423
  214   HG11  VAL  32          1HG1      VAL  32  -4.635  -2.622  -4.750
  215   HG12  VAL  32          2HG1      VAL  32  -5.752  -2.740  -6.172
  216   HG13  VAL  32          3HG1      VAL  32  -4.701  -1.339  -5.952
  217   HG21  VAL  32          3HG2      VAL  32  -3.923  -1.686  -8.171
  218   HG22  VAL  32          1HG2      VAL  32  -4.894  -3.162  -8.323
  219   HG23  VAL  32          2HG2      VAL  32  -3.124  -3.189  -8.628
  220    H    CYS  33           H        CYS  33  -3.078  -0.560  -4.768
  221    HA   CYS  33           HA       CYS  33  -3.321   1.476  -6.828
  222    HB2  CYS  33           2HB      CYS  33  -4.466   2.894  -5.367
  223    HB3  CYS  33           1HB      CYS  33  -4.897   1.332  -4.781
  224    H    VAL  34           H        VAL  34  -0.792   0.851  -4.392
  225    HA   VAL  34           HA       VAL  34   0.518   3.197  -5.426
  226    HB   VAL  34           HB       VAL  34   0.175   2.533  -2.817
  227   HG11  VAL  34          1HG1      VAL  34   1.010   0.396  -2.903
  228   HG12  VAL  34          2HG1      VAL  34   1.855   1.475  -1.802
  229   HG13  VAL  34          3HG1      VAL  34   2.591   1.062  -3.362
  230   HG21  VAL  34          3HG2      VAL  34   1.994   3.853  -2.265
  231   HG22  VAL  34          1HG2      VAL  34   1.155   4.466  -3.687
  232   HG23  VAL  34          2HG2      VAL  34   2.724   3.636  -3.893
  233    H    GLY  35           H        GLY  35   0.144   0.331  -6.437
  234    HA2  GLY  35           2HA      GLY  35   1.304  -1.273  -7.728
  235    HA3  GLY  35           1HA      GLY  35   2.468   0.022  -7.952
  236    H    VAL  36           H        VAL  36   1.706  -1.810  -4.953
  237    HA   VAL  36           HA       VAL  36   4.467  -2.733  -4.806
  238    HB   VAL  36           HB       VAL  36   2.137  -2.941  -2.856
  239   HG11  VAL  36          1HG1      VAL  36   4.991  -3.681  -2.342
  240   HG12  VAL  36          2HG1      VAL  36   3.651  -4.791  -2.587
  241   HG13  VAL  36          3HG1      VAL  36   3.641  -3.718  -1.186
  242   HG21  VAL  36          3HG2      VAL  36   2.843  -0.729  -3.052
  243   HG22  VAL  36          1HG2      VAL  36   4.548  -1.173  -2.887
  244   HG23  VAL  36          2HG2      VAL  36   3.454  -1.382  -1.518
  245    H    SER  37           H        SER  37   4.968  -5.157  -4.765
  246    HA   SER  37           HA       SER  37   2.809  -6.763  -5.724
  247    HB2  SER  37           2HB      SER  37   4.791  -8.235  -6.203
  248    HB3  SER  37           1HB      SER  37   4.828  -6.706  -7.088
  249    HG   SER  37           HG       SER  37   6.812  -6.869  -6.241
  250    HA   PRO  38           HA       PRO  38   2.129  -8.670  -1.814
  251    HB2  PRO  38           2HB      PRO  38   2.669 -11.359  -2.405
  252    HB3  PRO  38           1HB      PRO  38   1.116 -10.516  -2.641
  253    HG2  PRO  38           2HG      PRO  38   3.331 -10.980  -4.599
  254    HG3  PRO  38           1HG      PRO  38   1.582 -11.190  -4.854
  255    HD2  PRO  38           2HD      PRO  38   2.758  -9.038  -5.795
  256    HD3  PRO  38           1HD      PRO  38   1.239  -8.847  -4.889
  257    H    GLU  39           H        GLU  39   5.093  -9.873  -3.460
  258    HA   GLU  39           HA       GLU  39   6.435 -10.769  -1.200
  259    HB2  GLU  39           2HB      GLU  39   7.238  -9.918  -3.946
  260    HB3  GLU  39           1HB      GLU  39   8.368 -10.547  -2.760
  261    HG2  GLU  39           2HG      GLU  39   7.214 -12.631  -2.675
  262    HG3  GLU  39           1HG      GLU  39   5.944 -12.023  -3.747
  263    H    MET  40           H        MET  40   6.134  -7.504  -2.543
  264    HA   MET  40           HA       MET  40   8.536  -6.740  -1.196
  265    HB2  MET  40           2HB      MET  40   7.453  -5.494  -3.317
  266    HB3  MET  40           1HB      MET  40   6.401  -4.891  -2.132
  267    HG2  MET  40           2HG      MET  40   7.835  -3.624  -1.021
  268    HG3  MET  40           1HG      MET  40   9.288  -4.502  -1.526
  269    HE1  MET  40           3HE      MET  40   6.556  -1.839  -2.428
  270    HE2  MET  40           1HE      MET  40   6.338  -3.034  -3.708
  271    HE3  MET  40           2HE      MET  40   6.949  -1.429  -4.106
  272    H    ALA  41           H        ALA  41   5.109  -6.653  -0.567
  273    HA   ALA  41           HA       ALA  41   5.151  -5.287   1.855
  274    HB1  ALA  41           1HB      ALA  41   3.249  -7.506   1.005
  275    HB2  ALA  41           2HB      ALA  41   3.047  -5.810   0.631
  276    HB3  ALA  41           3HB      ALA  41   2.972  -6.347   2.291
  277    H    GLU  42           H        GLU  42   5.432  -8.734   1.267
  278    HA   GLU  42           HA       GLU  42   5.779  -9.288   4.112
  279    HB2  GLU  42           2HB      GLU  42   5.809 -11.203   1.801
  280    HB3  GLU  42           1HB      GLU  42   6.060 -11.685   3.452
  281    HG2  GLU  42           2HG      GLU  42   3.818 -10.845   4.018
  282    HG3  GLU  42           1HG      GLU  42   3.551 -10.455   2.322
  283    H    ASN  43           H        ASN  43   7.972  -8.952   1.392
  284    HA   ASN  43           HA       ASN  43  10.013 -10.346   2.910
  285    HB2  ASN  43           2HB      ASN  43   9.830  -9.733  -0.019
  286    HB3  ASN  43           1HB      ASN  43  11.197 -10.526   0.743
  287   HD21  ASN  43          1HD2      ASN  43  10.932 -12.637   1.420
  288   HD22  ASN  43          2HD2      ASN  43   9.620 -13.663   0.927
  289    H    GLU  44           H        GLU  44   9.238  -7.154   1.640
  290    HA   GLU  44           HA       GLU  44  11.908  -6.339   2.503
  291    HB2  GLU  44           2HB      GLU  44  10.571  -5.390  -0.047
  292    HB3  GLU  44           1HB      GLU  44  12.050  -4.708   0.623
  293    HG2  GLU  44           2HG      GLU  44  13.125  -6.940   0.369
  294    HG3  GLU  44           1HG      GLU  44  11.657  -7.531  -0.398
  295    H    ASP  45           H        ASP  45  12.058  -3.874   2.601
  296    HA   ASP  45           HA       ASP  45  10.028  -3.001   4.472
  297    HB2  ASP  45           2HB      ASP  45  12.487  -1.521   3.474
  298    HB3  ASP  45           1HB      ASP  45  11.546  -1.141   4.903
  299    H    TYR  46           H        TYR  46   8.232  -2.023   3.705
  300    HA   TYR  46           HA       TYR  46   8.264  -0.755   1.146
  301    HB2  TYR  46           2HB      TYR  46   6.127  -1.811   1.649
  302    HB3  TYR  46           1HB      TYR  46   5.951  -0.883   3.132
  303    HD1  TYR  46           1HD      TYR  46   5.925  -0.627  -0.612
  304    HD2  TYR  46           2HD      TYR  46   4.978   1.269   3.069
  305    HE1  TYR  46           1HE      TYR  46   4.649   1.205  -1.820
  306    HE2  TYR  46           2HE      TYR  46   3.744   3.039   1.804
  307    HH   TYR  46           HH       TYR  46   2.982   2.750  -1.379
  308    H    ILE  47           H        ILE  47   8.953   0.937   0.718
  309    HA   ILE  47           HA       ILE  47   8.830   3.345   2.480
  310    HB   ILE  47           HB       ILE  47  10.602   2.954   0.027
  311   HG12  ILE  47          2HG1      ILE  47  11.236   1.337   1.782
  312   HG13  ILE  47          1HG1      ILE  47  12.488   2.553   1.548
  313   HG21  ILE  47          1HG2      ILE  47  10.646   4.913   2.276
  314   HG22  ILE  47          2HG2      ILE  47  10.158   5.281   0.612
  315   HG23  ILE  47          3HG2      ILE  47  11.852   4.905   0.983
  316   HD11  ILE  47          3HD1      ILE  47  10.475   2.457   3.811
  317   HD12  ILE  47          1HD1      ILE  47  11.693   3.716   3.578
  318   HD13  ILE  47          2HD1      ILE  47  12.185   2.050   3.901
  319    H    CYS  48           H        CYS  48   7.866   5.383   1.482
  320    HA   CYS  48           HA       CYS  48   6.259   4.672  -0.858
  321    HB2  CYS  48           2HB      CYS  48   4.626   6.166  -0.101
  322    HB3  CYS  48           1HB      CYS  48   5.127   5.332   1.375
  323    H    ILE  49           H        ILE  49   5.627   6.864  -1.925
  324    HA   ILE  49           HA       ILE  49   7.770   8.081  -3.228
  325    HB   ILE  49           HB       ILE  49   5.562   8.100  -4.153
  326   HG12  ILE  49          2HG1      ILE  49   6.535  10.867  -3.571
  327   HG13  ILE  49          1HG1      ILE  49   7.178   9.781  -4.809
  328   HG21  ILE  49          1HG2      ILE  49   4.793   9.978  -1.922
  329   HG22  ILE  49          2HG2      ILE  49   4.184   8.333  -2.175
  330   HG23  ILE  49          3HG2      ILE  49   3.792   9.605  -3.324
  331   HD11  ILE  49          3HD1      ILE  49   5.683  11.454  -5.767
  332   HD12  ILE  49          1HD1      ILE  49   4.390  10.880  -4.708
  333   HD13  ILE  49          2HD1      ILE  49   5.034   9.808  -5.939
  334    H    ASN  50           H        ASN  50   6.081   9.197  -0.325
  335    HA   ASN  50           HA       ASN  50   7.496  11.708  -0.196
  336    HB2  ASN  50           2HB      ASN  50   5.731  10.340   1.840
  337    HB3  ASN  50           1HB      ASN  50   6.392  11.966   2.019
  338   HD21  ASN  50          1HD2      ASN  50   5.477  13.641   0.858
  339   HD22  ASN  50          2HD2      ASN  50   4.006  13.458  -0.020
  340    H    CYS  51           H        CYS  51   7.825   8.567   1.135
  341    HA   CYS  51           HA       CYS  51   9.849   9.300   3.057
  342    HB2  CYS  51           2HB      CYS  51   8.866   6.625   2.064
  343    HB3  CYS  51           1HB      CYS  51  10.238   6.763   3.148
  344    H    ALA  52           H        ALA  52   9.777   8.272  -0.245
  345    HA   ALA  52           HA       ALA  52  12.609   7.580  -0.288
  346    HB1  ALA  52           3HB      ALA  52  11.072   6.197  -1.566
  347    HB2  ALA  52           1HB      ALA  52  12.248   6.941  -2.631
  348    HB3  ALA  52           2HB      ALA  52  10.604   7.573  -2.564
  Start of MODEL    4
    1    HA   SER   1           HA       SER   1 -12.931   4.974   2.797
    2    HB2  SER   1           2HB      SER   1 -14.392   6.339   1.220
    3    HB3  SER   1           1HB      SER   1 -14.781   6.551   2.924
    4    HG   SER   1           HG       SER   1 -14.128   8.530   2.857
    5    H    VAL   2           H        VAL   2 -10.538   7.258   2.377
    6    HA   VAL   2           HA       VAL   2  -9.663   6.035  -0.149
    7    HB   VAL   2           HB       VAL   2  -9.338   8.959   0.634
    8   HG11  VAL   2          1HG1      VAL   2  -8.444   9.258  -1.657
    9   HG12  VAL   2          2HG1      VAL   2  -8.528   7.512  -1.881
   10   HG13  VAL   2          3HG1      VAL   2  -7.454   8.209  -0.661
   11   HG21  VAL   2          3HG2      VAL   2 -10.831   9.478  -1.286
   12   HG22  VAL   2          1HG2      VAL   2 -11.649   8.551  -0.022
   13   HG23  VAL   2          2HG2      VAL   2 -11.105   7.753  -1.488
   14    H    CYS   3           H        CYS   3  -7.473   5.384  -0.044
   15    HA   CYS   3           HA       CYS   3  -6.254   5.741   2.566
   16    HB2  CYS   3           2HB      CYS   3  -5.093   3.763   2.177
   17    HB3  CYS   3           1HB      CYS   3  -6.439   3.474   1.089
   18    H    ALA   4           H        ALA   4  -3.578   5.642   2.029
   19    HA   ALA   4           HA       ALA   4  -3.065   8.190   0.694
   20    HB1  ALA   4           1HB      ALA   4  -1.302   6.348   2.311
   21    HB2  ALA   4           2HB      ALA   4  -2.015   7.847   2.900
   22    HB3  ALA   4           3HB      ALA   4  -0.774   7.877   1.632
   23    H    ALA   5           H        ALA   5  -2.704   8.011  -1.448
   24    HA   ALA   5           HA       ALA   5  -0.408   6.677  -2.443
   25    HB1  ALA   5           1HB      ALA   5  -3.055   5.549  -3.410
   26    HB2  ALA   5           2HB      ALA   5  -1.898   4.682  -2.409
   27    HB3  ALA   5           3HB      ALA   5  -1.470   5.125  -4.051
   28    H    GLN   6           H        GLN   6   0.288   7.701  -4.335
   29    HA   GLN   6           HA       GLN   6  -0.604   9.986  -5.344
   30    HB2  GLN   6           2HB      GLN   6   0.494   7.651  -6.951
   31    HB3  GLN   6           1HB      GLN   6   0.585   9.353  -7.396
   32    HG2  GLN   6           2HG      GLN   6   2.109   9.777  -5.616
   33    HG3  GLN   6           1HG      GLN   6   1.854   8.167  -4.947
   34   HE21  GLN   6          1HE2      GLN   6   2.760   6.382  -5.976
   35   HE22  GLN   6          2HE2      GLN   6   4.029   6.575  -7.129
   36    H    ASN   7           H        ASN   7  -1.461   6.865  -6.398
   37    HA   ASN   7           HA       ASN   7  -4.038   7.843  -7.559
   38    HB2  ASN   7           2HB      ASN   7  -2.345   5.612  -8.759
   39    HB3  ASN   7           1HB      ASN   7  -3.966   6.006  -9.279
   40   HD21  ASN   7          1HD2      ASN   7  -1.495   6.011 -10.829
   41   HD22  ASN   7          2HD2      ASN   7  -1.343   7.617 -11.431
   42    H    CYS   8           H        CYS   8  -5.423   7.224  -5.860
   43    HA   CYS   8           HA       CYS   8  -5.090   4.466  -5.194
   44    HB2  CYS   8           2HB      CYS   8  -5.099   5.852  -3.201
   45    HB3  CYS   8           1HB      CYS   8  -6.678   6.518  -3.662
   46    H    GLN   9           H        GLN   9  -6.152   3.158  -6.237
   47    HA   GLN   9           HA       GLN   9  -8.431   3.605  -7.847
   48    HB2  GLN   9           2HB      GLN   9  -7.280   1.048  -6.772
   49    HB3  GLN   9           1HB      GLN   9  -8.388   1.159  -8.124
   50    HG2  GLN   9           2HG      GLN   9  -6.662   2.404  -9.399
   51    HG3  GLN   9           1HG      GLN   9  -5.604   2.299  -8.001
   52   HE21  GLN   9          1HE2      GLN   9  -4.052   1.219  -9.113
   53   HE22  GLN   9          2HE2      GLN   9  -4.221  -0.435  -9.592
   54    H    ARG  10           H        ARG  10  -8.202   3.352  -4.540
   55    HA   ARG  10           HA       ARG  10  -9.478   2.749  -2.762
   56    HB2  ARG  10           2HB      ARG  10 -11.670   3.469  -4.701
   57    HB3  ARG  10           1HB      ARG  10 -11.900   3.308  -2.967
   58    HG2  ARG  10           2HG      ARG  10 -10.281   5.154  -2.633
   59    HG3  ARG  10           1HG      ARG  10 -10.191   5.356  -4.392
   60    HD2  ARG  10           2HD      ARG  10 -11.735   6.972  -3.464
   61    HD3  ARG  10           1HD      ARG  10 -12.619   5.788  -4.426
   62    HE   ARG  10           HE       ARG  10 -12.453   5.177  -1.608
   63   HH11  ARG  10          1HH1      ARG  10 -14.397   6.766  -4.113
   64   HH12  ARG  10          2HH1      ARG  10 -15.840   6.661  -3.196
   65   HH21  ARG  10          1HH2      ARG  10 -14.422   5.041  -0.412
   66   HH22  ARG  10          2HH2      ARG  10 -15.868   5.660  -1.082
   67    HA   PRO  11           HA       PRO  11 -10.917  -1.437  -4.756
   68    HB2  PRO  11           2HB      PRO  11  -8.424  -2.681  -3.825
   69    HB3  PRO  11           1HB      PRO  11  -9.123  -2.681  -5.447
   70    HG2  PRO  11           2HG      PRO  11  -6.873  -1.302  -4.855
   71    HG3  PRO  11           1HG      PRO  11  -8.060  -0.718  -6.048
   72    HD2  PRO  11           2HD      PRO  11  -7.685   0.103  -3.188
   73    HD3  PRO  11           1HD      PRO  11  -7.936   1.098  -4.637
   74    H    CYS  12           H        CYS  12 -12.123  -2.750  -3.519
   75    HA   CYS  12           HA       CYS  12 -11.405  -3.078  -0.700
   76    HB2  CYS  12           2HB      CYS  12 -13.279  -1.474  -0.988
   77    HB3  CYS  12           1HB      CYS  12 -14.146  -2.707  -1.906
   78    HG   CYS  12           HG       CYS  12 -14.097  -2.204   1.336
   79    H    LYS  13           H        LYS  13 -10.954  -5.183  -0.369
   80    HA   LYS  13           HA       LYS  13 -12.787  -7.209  -1.290
   81    HB2  LYS  13           2HB      LYS  13  -9.807  -7.356  -1.817
   82    HB3  LYS  13           1HB      LYS  13 -10.911  -8.712  -1.968
   83    HG2  LYS  13           2HG      LYS  13 -12.073  -7.448  -3.786
   84    HG3  LYS  13           1HG      LYS  13 -10.821  -6.211  -3.643
   85    HD2  LYS  13           2HD      LYS  13  -9.091  -7.838  -4.157
   86    HD3  LYS  13           1HD      LYS  13 -10.304  -9.109  -4.285
   87    HE2  LYS  13           2HE      LYS  13 -11.324  -7.896  -6.181
   88    HE3  LYS  13           1HE      LYS  13 -10.051  -6.669  -6.047
   89    HZ1  LYS  13           3HZ      LYS  13  -9.547  -8.286  -7.753
   90    HZ2  LYS  13           1HZ      LYS  13  -9.661  -9.546  -6.650
   91    HZ3  LYS  13           2HZ      LYS  13  -8.423  -8.404  -6.526
   92    H    ASP  14           H        ASP  14 -12.353  -9.249  -0.077
   93    HA   ASP  14           HA       ASP  14 -11.464  -8.684   2.644
   94    HB2  ASP  14           2HB      ASP  14 -12.443 -11.268   1.389
   95    HB3  ASP  14           1HB      ASP  14 -12.147 -11.016   3.101
   96    H    LYS  15           H        LYS  15 -10.095  -9.504  -0.178
   97    HA   LYS  15           HA       LYS  15  -7.816 -10.859   1.051
   98    HB2  LYS  15           2HB      LYS  15  -9.014 -11.461  -1.670
   99    HB3  LYS  15           1HB      LYS  15  -7.584 -12.200  -0.981
  100    HG2  LYS  15           2HG      LYS  15  -8.899 -13.291   0.713
  101    HG3  LYS  15           1HG      LYS  15 -10.354 -12.443   0.163
  102    HD2  LYS  15           2HD      LYS  15 -10.144 -13.538  -2.019
  103    HD3  LYS  15           1HD      LYS  15  -8.723 -14.399  -1.423
  104    HE2  LYS  15           2HE      LYS  15 -10.067 -15.529   0.241
  105    HE3  LYS  15           1HE      LYS  15 -11.492 -14.610  -0.226
  106    HZ1  LYS  15           3HZ      LYS  15 -11.441 -16.844  -1.136
  107    HZ2  LYS  15           1HZ      LYS  15 -10.026 -16.512  -1.959
  108    HZ3  LYS  15           2HZ      LYS  15 -11.464 -15.714  -2.365
  109    H    VAL  16           H        VAL  16  -6.792  -8.837   1.173
  110    HA   VAL  16           HA       VAL  16  -5.176  -8.182  -0.953
  111    HB   VAL  16           HB       VAL  16  -7.101  -7.100  -2.056
  112   HG11  VAL  16          1HG1      VAL  16  -8.480  -6.773  -0.152
  113   HG12  VAL  16          2HG1      VAL  16  -8.305  -5.235  -1.022
  114   HG13  VAL  16          3HG1      VAL  16  -7.358  -5.569   0.470
  115   HG21  VAL  16          3HG2      VAL  16  -6.250  -4.830  -2.330
  116   HG22  VAL  16          1HG2      VAL  16  -4.911  -5.987  -2.291
  117   HG23  VAL  16          2HG2      VAL  16  -5.283  -4.997  -0.865
  118    H    ASP  17           H        ASP  17  -3.733  -8.253   0.568
  119    HA   ASP  17           HA       ASP  17  -3.639  -6.879   2.972
  120    HB2  ASP  17           2HB      ASP  17  -1.225  -7.776   1.351
  121    HB3  ASP  17           1HB      ASP  17  -1.278  -7.332   3.046
  122    H    TRP  18           H        TRP  18  -2.688  -5.082   3.703
  123    HA   TRP  18           HA       TRP  18  -2.334  -2.852   1.800
  124    HB2  TRP  18           2HB      TRP  18  -3.207  -2.897   4.699
  125    HB3  TRP  18           1HB      TRP  18  -2.930  -1.428   3.758
  126    HD1  TRP  18           HD       TRP  18  -5.019  -4.612   3.083
  127    HE1  TRP  18           1HE      TRP  18  -7.361  -3.923   2.438
  128    HE3  TRP  18           3HE      TRP  18  -4.425   0.425   3.489
  129    HZ2  TRP  18           2HZ      TRP  18  -8.835  -1.481   2.163
  130    HZ3  TRP  18           3HZ      TRP  18  -6.330   1.880   3.024
  131    HH2  TRP  18           HH       TRP  18  -8.516   0.950   2.371
  132    H    VAL  19           H        VAL  19  -0.676  -1.145   2.511
  133    HA   VAL  19           HA       VAL  19   1.352  -2.359   4.161
  134    HB   VAL  19           HB       VAL  19   3.125  -1.468   2.596
  135   HG11  VAL  19          1HG1      VAL  19   1.252  -3.463   1.344
  136   HG12  VAL  19          2HG1      VAL  19   2.506  -3.806   2.525
  137   HG13  VAL  19          3HG1      VAL  19   2.953  -3.234   0.927
  138   HG21  VAL  19          3HG2      VAL  19   0.799  -1.042   0.716
  139   HG22  VAL  19          1HG2      VAL  19   2.503  -0.828   0.302
  140   HG23  VAL  19          2HG2      VAL  19   1.743   0.235   1.471
  141    H    GLN  20           H        GLN  20   2.292  -1.011   5.544
  142    HA   GLN  20           HA       GLN  20   1.468   1.794   5.585
  143    HB2  GLN  20           2HB      GLN  20   1.111   0.363   7.660
  144    HB3  GLN  20           1HB      GLN  20   2.817   0.066   7.692
  145    HG2  GLN  20           2HG      GLN  20   3.287   2.441   8.084
  146    HG3  GLN  20           1HG      GLN  20   1.573   2.786   7.985
  147   HE21  GLN  20          1HE2      GLN  20   3.475   3.206  10.193
  148   HE22  GLN  20          2HE2      GLN  20   2.826   2.429  11.550
  149    H    CYS  21           H        CYS  21   3.050   3.384   5.395
  150    HA   CYS  21           HA       CYS  21   5.630   2.312   4.602
  151    HB2  CYS  21           2HB      CYS  21   6.201   4.572   3.639
  152    HB3  CYS  21           1HB      CYS  21   4.675   3.989   3.085
  153    H    ASP  22           H        ASP  22   6.898   1.815   6.057
  154    HA   ASP  22           HA       ASP  22   6.931   3.085   8.643
  155    HB2  ASP  22           2HB      ASP  22   8.444   0.751   7.477
  156    HB3  ASP  22           1HB      ASP  22   8.809   1.399   9.067
  157    H    GLY  23           H        GLY  23   7.886   4.454   6.195
  158    HA2  GLY  23           2HA      GLY  23  10.696   4.937   6.811
  159    HA3  GLY  23           1HA      GLY  23   9.839   5.534   5.393
  160    H    GLY  24           H        GLY  24   7.644   6.233   7.661
  161    HA2  GLY  24           2HA      GLY  24   8.352   8.061   9.425
  162    HA3  GLY  24           1HA      GLY  24   8.770   8.909   7.944
  163    H    CYS  25           H        CYS  25   6.129   7.558   6.794
  164    HA   CYS  25           HA       CYS  25   4.550   9.867   7.671
  165    HB2  CYS  25           2HB      CYS  25   3.675   7.834   5.603
  166    HB3  CYS  25           1HB      CYS  25   3.047   9.458   5.838
  167    H    ASP  26           H        ASP  26   4.732   6.446   7.970
  168    HA   ASP  26           HA       ASP  26   3.517   4.768   8.857
  169    HB2  ASP  26           2HB      ASP  26   2.598   6.977  10.721
  170    HB3  ASP  26           1HB      ASP  26   2.199   5.300  10.997
  171    H    GLU  27           H        GLU  27   2.281   6.425   6.735
  172    HA   GLU  27           HA       GLU  27  -0.535   6.120   7.228
  173    HB2  GLU  27           2HB      GLU  27   0.933   7.131   4.804
  174    HB3  GLU  27           1HB      GLU  27  -0.816   7.054   4.896
  175    HG2  GLU  27           2HG      GLU  27  -0.802   8.575   6.807
  176    HG3  GLU  27           1HG      GLU  27   0.961   8.692   6.725
  177    H    TRP  28           H        TRP  28  -1.920   5.082   5.531
  178    HA   TRP  28           HA       TRP  28  -0.772   2.421   4.923
  179    HB2  TRP  28           2HB      TRP  28  -3.629   3.128   5.651
  180    HB3  TRP  28           1HB      TRP  28  -3.104   1.539   5.123
  181    HD1  TRP  28           HD       TRP  28  -2.523   3.990   8.076
  182    HE1  TRP  28           1HE      TRP  28  -1.839   2.614  10.129
  183    HE3  TRP  28           3HE      TRP  28  -2.247  -0.611   5.888
  184    HZ2  TRP  28           2HZ      TRP  28  -1.256  -0.079  10.744
  185    HZ3  TRP  28           3HZ      TRP  28  -1.632  -2.542   7.277
  186    HH2  TRP  28           HH       TRP  28  -1.146  -2.274   9.659
  187    H    PHE  29           H        PHE  29  -0.667   1.734   2.985
  188    HA   PHE  29           HA       PHE  29  -2.125   3.111   0.812
  189    HB2  PHE  29           2HB      PHE  29   0.574   1.686   0.597
  190    HB3  PHE  29           1HB      PHE  29  -0.223   2.661  -0.608
  191    HD1  PHE  29           1HD      PHE  29   0.975   3.048   2.906
  192    HD2  PHE  29           2HD      PHE  29   0.658   4.780  -0.972
  193    HE1  PHE  29           1HE      PHE  29   2.267   4.970   3.666
  194    HE2  PHE  29           2HE      PHE  29   1.951   6.713  -0.204
  195    HZ   PHE  29           HZ       PHE  29   2.765   6.782   2.172
  196    H    HIS  30           H        HIS  30  -2.595   1.687  -1.042
  197    HA   HIS  30           HA       HIS  30  -3.162  -1.132  -0.332
  198    HB2  HIS  30           2HB      HIS  30  -4.038   0.659  -2.563
  199    HB3  HIS  30           1HB      HIS  30  -4.268  -1.010  -2.820
  200    HD2  HIS  30           2HD      HIS  30  -6.307  -2.043  -0.856
  201    HE1  HIS  30           1HE      HIS  30  -8.063   1.805  -0.654
  202    HE2  HIS  30           2HE      HIS  30  -8.450  -0.691  -0.567
  203    H    GLN  31           H        GLN  31  -2.152  -2.796  -1.408
  204    HA   GLN  31           HA       GLN  31   0.304  -2.285  -2.552
  205    HB2  GLN  31           2HB      GLN  31  -1.342  -4.813  -2.778
  206    HB3  GLN  31           1HB      GLN  31   0.259  -4.643  -3.471
  207    HG2  GLN  31           2HG      GLN  31   1.184  -4.217  -1.273
  208    HG3  GLN  31           1HG      GLN  31  -0.408  -4.375  -0.559
  209   HE21  GLN  31          1HE2      GLN  31  -1.355  -6.379  -0.469
  210   HE22  GLN  31          2HE2      GLN  31  -0.485  -7.849  -0.672
  211    H    VAL  32           H        VAL  32  -2.752  -2.998  -4.269
  212    HA   VAL  32           HA       VAL  32  -1.522  -2.872  -6.815
  213    HB   VAL  32           HB       VAL  32  -3.650  -4.075  -6.487
  214   HG11  VAL  32          1HG1      VAL  32  -4.699  -1.341  -6.094
  215   HG12  VAL  32          2HG1      VAL  32  -4.601  -2.595  -4.841
  216   HG13  VAL  32          3HG1      VAL  32  -5.738  -2.772  -6.225
  217   HG21  VAL  32          3HG2      VAL  32  -3.122  -3.236  -8.727
  218   HG22  VAL  32          1HG2      VAL  32  -3.875  -1.708  -8.256
  219   HG23  VAL  32          2HG2      VAL  32  -4.869  -3.180  -8.411
  220    H    CYS  33           H        CYS  33  -3.063  -0.577  -4.855
  221    HA   CYS  33           HA       CYS  33  -3.317   1.443  -6.922
  222    HB2  CYS  33           2HB      CYS  33  -4.502   2.803  -5.445
  223    HB3  CYS  33           1HB      CYS  33  -4.836   1.230  -4.835
  224    H    VAL  34           H        VAL  34  -0.791   0.874  -4.431
  225    HA   VAL  34           HA       VAL  34   0.533   3.215  -5.497
  226    HB   VAL  34           HB       VAL  34   0.182   2.509  -2.914
  227   HG11  VAL  34          1HG1      VAL  34   1.925   1.400  -1.907
  228   HG12  VAL  34          2HG1      VAL  34   2.613   1.046  -3.490
  229   HG13  VAL  34          3HG1      VAL  34   1.040   0.378  -3.052
  230   HG21  VAL  34          3HG2      VAL  34   2.712   3.630  -3.996
  231   HG22  VAL  34          1HG2      VAL  34   2.042   3.816  -2.356
  232   HG23  VAL  34          2HG2      VAL  34   1.155   4.481  -3.743
  233    H    GLY  35           H        GLY  35   0.195   0.307  -6.473
  234    HA2  GLY  35           2HA      GLY  35   1.413  -1.360  -7.587
  235    HA3  GLY  35           1HA      GLY  35   2.549  -0.054  -7.910
  236    H    VAL  36           H        VAL  36   1.649  -2.414  -5.295
  237    HA   VAL  36           HA       VAL  36   4.469  -2.852  -4.780
  238    HB   VAL  36           HB       VAL  36   2.024  -3.024  -2.982
  239   HG11  VAL  36          1HG1      VAL  36   3.330  -4.932  -2.485
  240   HG12  VAL  36          2HG1      VAL  36   3.555  -3.772  -1.174
  241   HG13  VAL  36          3HG1      VAL  36   4.821  -4.006  -2.384
  242   HG21  VAL  36          3HG2      VAL  36   2.882  -0.799  -3.111
  243   HG22  VAL  36          1HG2      VAL  36   4.517  -1.372  -2.786
  244   HG23  VAL  36          2HG2      VAL  36   3.286  -1.477  -1.534
  245    H    SER  37           H        SER  37   5.003  -5.303  -4.651
  246    HA   SER  37           HA       SER  37   2.939  -6.853  -5.856
  247    HB2  SER  37           2HB      SER  37   4.923  -8.391  -6.132
  248    HB3  SER  37           1HB      SER  37   5.081  -6.849  -6.979
  249    HG   SER  37           HG       SER  37   6.986  -7.316  -5.837
  250    HA   PRO  38           HA       PRO  38   1.827  -8.808  -2.046
  251    HB2  PRO  38           2HB      PRO  38   2.185 -11.509  -2.653
  252    HB3  PRO  38           1HB      PRO  38   0.747 -10.545  -3.061
  253    HG2  PRO  38           2HG      PRO  38   3.149 -11.154  -4.750
  254    HG3  PRO  38           1HG      PRO  38   1.431 -11.250  -5.207
  255    HD2  PRO  38           2HD      PRO  38   2.842  -9.150  -5.971
  256    HD3  PRO  38           1HD      PRO  38   1.231  -8.895  -5.246
  257    H    GLU  39           H        GLU  39   4.873 -10.065  -3.485
  258    HA   GLU  39           HA       GLU  39   5.835 -11.069  -1.064
  259    HB2  GLU  39           2HB      GLU  39   6.998 -10.475  -3.730
  260    HB3  GLU  39           1HB      GLU  39   7.967 -11.059  -2.397
  261    HG2  GLU  39           2HG      GLU  39   6.549 -13.049  -2.253
  262    HG3  GLU  39           1HG      GLU  39   5.603 -12.450  -3.607
  263    H    MET  40           H        MET  40   5.895  -7.859  -2.490
  264    HA   MET  40           HA       MET  40   8.292  -7.161  -1.089
  265    HB2  MET  40           2HB      MET  40   7.263  -5.862  -3.223
  266    HB3  MET  40           1HB      MET  40   6.282  -5.151  -2.003
  267    HG2  MET  40           2HG      MET  40   7.977  -4.203  -0.805
  268    HG3  MET  40           1HG      MET  40   9.261  -5.063  -1.664
  269    HE1  MET  40           3HE      MET  40   6.145  -2.871  -3.035
  270    HE2  MET  40           1HE      MET  40   6.955  -1.312  -3.089
  271    HE3  MET  40           2HE      MET  40   6.761  -2.161  -1.538
  272    H    ALA  41           H        ALA  41   4.837  -6.958  -0.584
  273    HA   ALA  41           HA       ALA  41   4.708  -5.332   1.617
  274    HB1  ALA  41           1HB      ALA  41   2.554  -6.438   2.100
  275    HB2  ALA  41           2HB      ALA  41   2.959  -7.738   0.990
  276    HB3  ALA  41           3HB      ALA  41   2.737  -6.118   0.387
  277    H    GLU  42           H        GLU  42   5.254  -8.749   1.564
  278    HA   GLU  42           HA       GLU  42   5.602  -8.791   4.503
  279    HB2  GLU  42           2HB      GLU  42   5.618 -11.135   2.630
  280    HB3  GLU  42           1HB      GLU  42   5.792 -11.230   4.372
  281    HG2  GLU  42           2HG      GLU  42   3.543 -10.189   4.588
  282    HG3  GLU  42           1HG      GLU  42   3.386 -10.253   2.848
  283    H    ASN  43           H        ASN  43   7.759  -9.060   1.685
  284    HA   ASN  43           HA       ASN  43   9.720 -10.252   3.442
  285    HB2  ASN  43           2HB      ASN  43   9.539 -10.137   0.448
  286    HB3  ASN  43           1HB      ASN  43  11.006 -10.613   1.279
  287   HD21  ASN  43          1HD2      ASN  43   9.237 -12.088  -0.542
  288   HD22  ASN  43          2HD2      ASN  43   8.751 -13.500   0.320
  289    H    GLU  44           H        GLU  44   8.975  -7.274   1.868
  290    HA   GLU  44           HA       GLU  44  11.638  -6.383   2.588
  291    HB2  GLU  44           2HB      GLU  44  10.280  -5.726  -0.023
  292    HB3  GLU  44           1HB      GLU  44  11.768  -4.969   0.540
  293    HG2  GLU  44           2HG      GLU  44  12.839  -7.212   0.586
  294    HG3  GLU  44           1HG      GLU  44  11.382  -7.908  -0.089
  295    H    ASP  45           H        ASP  45  11.806  -3.975   2.516
  296    HA   ASP  45           HA       ASP  45   9.787  -3.033   4.370
  297    HB2  ASP  45           2HB      ASP  45  12.289  -2.960   4.749
  298    HB3  ASP  45           1HB      ASP  45  12.356  -1.762   3.467
  299    H    TYR  46           H        TYR  46   8.182  -1.837   3.705
  300    HA   TYR  46           HA       TYR  46   8.223  -0.612   1.117
  301    HB2  TYR  46           2HB      TYR  46   6.113  -1.670   1.631
  302    HB3  TYR  46           1HB      TYR  46   5.930  -0.721   3.108
  303    HD1  TYR  46           2HD      TYR  46   5.847  -0.582  -0.618
  304    HD2  TYR  46           1HD      TYR  46   4.981   1.485   2.998
  305    HE1  TYR  46           2HE      TYR  46   4.558   1.186  -1.875
  306    HE2  TYR  46           1HE      TYR  46   3.743   3.187   1.703
  307    HH   TYR  46           HH       TYR  46   2.873   2.744  -1.409
  308    H    ILE  47           H        ILE  47   9.152   0.996   0.867
  309    HA   ILE  47           HA       ILE  47   8.904   3.456   2.521
  310    HB   ILE  47           HB       ILE  47  10.712   2.999   0.093
  311   HG12  ILE  47          2HG1      ILE  47  11.397   1.549   1.965
  312   HG13  ILE  47          1HG1      ILE  47  12.585   2.804   1.682
  313   HG21  ILE  47          1HG2      ILE  47  10.174   5.360   0.475
  314   HG22  ILE  47          2HG2      ILE  47  11.872   5.047   0.867
  315   HG23  ILE  47          3HG2      ILE  47  10.663   5.160   2.160
  316   HD11  ILE  47          3HD1      ILE  47  10.520   2.807   3.892
  317   HD12  ILE  47          1HD1      ILE  47  11.701   4.083   3.568
  318   HD13  ILE  47          2HD1      ILE  47  12.239   2.462   4.055
  319    H    CYS  48           H        CYS  48   7.906   5.503   1.461
  320    HA   CYS  48           HA       CYS  48   6.339   4.702  -0.852
  321    HB2  CYS  48           2HB      CYS  48   4.646   6.152  -0.115
  322    HB3  CYS  48           1HB      CYS  48   5.152   5.342   1.372
  323    H    ILE  49           H        ILE  49   5.673   6.851  -1.948
  324    HA   ILE  49           HA       ILE  49   7.811   8.104  -3.213
  325    HB   ILE  49           HB       ILE  49   5.645   8.084  -4.215
  326   HG12  ILE  49          2HG1      ILE  49   6.438  10.879  -3.550
  327   HG13  ILE  49          1HG1      ILE  49   7.210   9.861  -4.780
  328   HG21  ILE  49          1HG2      ILE  49   4.184   8.210  -2.308
  329   HG22  ILE  49          2HG2      ILE  49   3.771   9.496  -3.431
  330   HG23  ILE  49          3HG2      ILE  49   4.696   9.858  -1.961
  331   HD11  ILE  49          3HD1      ILE  49   4.355  10.783  -4.796
  332   HD12  ILE  49          1HD1      ILE  49   5.148   9.759  -5.978
  333   HD13  ILE  49          2HD1      ILE  49   5.666  11.444  -5.796
  334    H    ASN  50           H        ASN  50   6.006   9.239  -0.402
  335    HA   ASN  50           HA       ASN  50   7.422  11.744  -0.233
  336    HB2  ASN  50           2HB      ASN  50   5.589  10.402   1.744
  337    HB3  ASN  50           1HB      ASN  50   6.244  12.028   1.951
  338   HD21  ASN  50          1HD2      ASN  50   5.434  13.694   0.697
  339   HD22  ASN  50          2HD2      ASN  50   3.997  13.531  -0.230
  340    H    CYS  51           H        CYS  51   7.681   8.612   1.257
  341    HA   CYS  51           HA       CYS  51   9.613   9.393   3.237
  342    HB2  CYS  51           2HB      CYS  51   8.738   6.707   2.190
  343    HB3  CYS  51           1HB      CYS  51  10.065   6.855   3.325
  344    H    ALA  52           H        ALA  52   9.753   8.509  -0.057
  345    HA   ALA  52           HA       ALA  52  12.583   7.857   0.012
  346    HB1  ALA  52           3HB      ALA  52  11.115   6.670  -1.512
  347    HB2  ALA  52           1HB      ALA  52  12.355   7.535  -2.407
  348    HB3  ALA  52           2HB      ALA  52  10.712   8.173  -2.350
  Start of MODEL    5
    1    HA   SER   1           HA       SER   1 -12.927   7.583   2.682
    2    HB2  SER   1           2HB      SER   1 -12.209   4.919   3.979
    3    HB3  SER   1           1HB      SER   1 -11.439   6.459   4.342
    4    HG   SER   1           HG       SER   1 -13.960   5.506   5.034
    5    H    VAL   2           H        VAL   2 -10.544   7.781   2.319
    6    HA   VAL   2           HA       VAL   2  -9.685   6.210   0.006
    7    HB   VAL   2           HB       VAL   2  -9.136   9.148   0.602
    8   HG11  VAL   2          1HG1      VAL   2  -7.283   8.150  -0.573
    9   HG12  VAL   2          2HG1      VAL   2  -8.141   9.258  -1.621
   10   HG13  VAL   2          3HG1      VAL   2  -8.362   7.521  -1.816
   11   HG21  VAL   2          3HG2      VAL   2 -11.439   8.830  -0.080
   12   HG22  VAL   2          1HG2      VAL   2 -10.915   7.918  -1.497
   13   HG23  VAL   2          2HG2      VAL   2 -10.528   9.626  -1.375
   14    H    CYS   3           H        CYS   3  -7.507   5.487   0.066
   15    HA   CYS   3           HA       CYS   3  -6.279   5.639   2.716
   16    HB2  CYS   3           2HB      CYS   3  -5.162   3.678   2.146
   17    HB3  CYS   3           1HB      CYS   3  -6.533   3.510   1.065
   18    H    ALA   4           H        ALA   4  -3.614   5.525   2.168
   19    HA   ALA   4           HA       ALA   4  -3.076   8.125   0.930
   20    HB1  ALA   4           1HB      ALA   4  -0.796   7.824   1.930
   21    HB2  ALA   4           2HB      ALA   4  -1.303   6.262   2.521
   22    HB3  ALA   4           3HB      ALA   4  -2.090   7.727   3.125
   23    H    ALA   5           H        ALA   5  -2.676   8.064  -1.211
   24    HA   ALA   5           HA       ALA   5  -0.375   6.777  -2.215
   25    HB1  ALA   5           1HB      ALA   5  -2.986   5.689  -3.305
   26    HB2  ALA   5           2HB      ALA   5  -1.873   4.786  -2.250
   27    HB3  ALA   5           3HB      ALA   5  -1.367   5.237  -3.860
   28    H    GLN   6           H        GLN   6   0.332   7.802  -4.102
   29    HA   GLN   6           HA       GLN   6  -0.467  10.125  -5.106
   30    HB2  GLN   6           2HB      GLN   6   1.511   8.723  -5.758
   31    HB3  GLN   6           1HB      GLN   6   0.449   7.778  -6.796
   32    HG2  GLN   6           2HG      GLN   6   1.530   9.295  -8.200
   33    HG3  GLN   6           1HG      GLN   6  -0.090   9.980  -7.927
   34   HE21  GLN   6          1HE2      GLN   6  -0.298  11.888  -6.703
   35   HE22  GLN   6          2HE2      GLN   6   1.084  12.834  -6.310
   36    H    ASN   7           H        ASN   7  -1.569   7.085  -6.015
   37    HA   ASN   7           HA       ASN   7  -4.124   8.204  -7.060
   38    HB2  ASN   7           2HB      ASN   7  -2.730   7.780  -9.028
   39    HB3  ASN   7           1HB      ASN   7  -2.551   6.085  -8.555
   40   HD21  ASN   7          1HD2      ASN   7  -4.691   8.477  -9.853
   41   HD22  ASN   7          2HD2      ASN   7  -5.900   7.378 -10.395
   42    H    CYS   8           H        CYS   8  -5.637   7.385  -5.720
   43    HA   CYS   8           HA       CYS   8  -5.265   4.583  -5.189
   44    HB2  CYS   8           2HB      CYS   8  -5.346   5.847  -3.131
   45    HB3  CYS   8           1HB      CYS   8  -6.953   6.446  -3.527
   46    H    GLN   9           H        GLN   9  -6.301   3.244  -6.192
   47    HA   GLN   9           HA       GLN   9  -8.466   3.732  -7.955
   48    HB2  GLN   9           2HB      GLN   9  -7.283   1.177  -6.889
   49    HB3  GLN   9           1HB      GLN   9  -8.286   1.297  -8.319
   50    HG2  GLN   9           2HG      GLN   9  -6.529   2.644  -9.423
   51    HG3  GLN   9           1HG      GLN   9  -5.577   2.572  -7.937
   52   HE21  GLN   9          1HE2      GLN   9  -3.871   1.631  -8.984
   53   HE22  GLN   9          2HE2      GLN   9  -3.900  -0.006  -9.508
   54    H    ARG  10           H        ARG  10  -8.358   3.298  -4.646
   55    HA   ARG  10           HA       ARG  10  -9.686   2.522  -2.928
   56    HB2  ARG  10           2HB      ARG  10 -11.907   3.334  -4.831
   57    HB3  ARG  10           1HB      ARG  10 -12.092   3.016  -3.111
   58    HG2  ARG  10           2HG      ARG  10 -10.608   4.914  -2.610
   59    HG3  ARG  10           1HG      ARG  10 -10.467   5.248  -4.337
   60    HD2  ARG  10           2HD      ARG  10 -12.097   6.714  -3.339
   61    HD3  ARG  10           1HD      ARG  10 -12.898   5.600  -4.446
   62    HE   ARG  10           HE       ARG  10 -12.874   4.647  -1.770
   63   HH11  ARG  10          1HH1      ARG  10 -14.647   6.794  -4.000
   64   HH12  ARG  10          2HH1      ARG  10 -16.054   6.830  -3.019
   65   HH21  ARG  10          1HH2      ARG  10 -14.880   4.709  -0.484
   66   HH22  ARG  10          2HH2      ARG  10 -16.207   5.596  -1.059
   67    HA   PRO  11           HA       PRO  11 -10.816  -1.584  -4.962
   68    HB2  PRO  11           2HB      PRO  11  -8.328  -2.644  -3.937
   69    HB3  PRO  11           1HB      PRO  11  -8.888  -2.663  -5.615
   70    HG2  PRO  11           2HG      PRO  11  -6.773  -1.183  -4.811
   71    HG3  PRO  11           1HG      PRO  11  -7.906  -0.586  -6.044
   72    HD2  PRO  11           2HD      PRO  11  -7.836   0.022  -3.114
   73    HD3  PRO  11           1HD      PRO  11  -7.965   1.151  -4.480
   74    H    CYS  12           H        CYS  12 -12.043  -2.804  -3.630
   75    HA   CYS  12           HA       CYS  12 -11.153  -3.160  -0.871
   76    HB2  CYS  12           2HB      CYS  12 -13.041  -1.598  -0.998
   77    HB3  CYS  12           1HB      CYS  12 -13.983  -2.778  -1.882
   78    HG   CYS  12           HG       CYS  12 -15.056  -3.815   0.149
   79    H    LYS  13           H        LYS  13 -10.549  -5.218  -0.725
   80    HA   LYS  13           HA       LYS  13 -12.403  -7.330  -1.448
   81    HB2  LYS  13           2HB      LYS  13  -9.439  -7.354  -2.094
   82    HB3  LYS  13           1HB      LYS  13 -10.457  -8.779  -2.100
   83    HG2  LYS  13           2HG      LYS  13 -11.818  -7.714  -3.889
   84    HG3  LYS  13           1HG      LYS  13 -10.625  -6.408  -3.943
   85    HD2  LYS  13           2HD      LYS  13  -8.868  -7.995  -4.521
   86    HD3  LYS  13           1HD      LYS  13 -10.014  -9.330  -4.373
   87    HE2  LYS  13           2HE      LYS  13 -11.327  -8.406  -6.227
   88    HE3  LYS  13           1HE      LYS  13 -10.141  -7.097  -6.381
   89    HZ1  LYS  13           3HZ      LYS  13  -8.457  -8.749  -6.985
   90    HZ2  LYS  13           1HZ      LYS  13  -9.795  -8.924  -7.977
   91    HZ3  LYS  13           2HZ      LYS  13  -9.559  -9.996  -6.727
   92    H    ASP  14           H        ASP  14 -12.044  -9.227  -0.133
   93    HA   ASP  14           HA       ASP  14 -11.034  -8.514   2.490
   94    HB2  ASP  14           2HB      ASP  14 -12.381 -11.069   1.586
   95    HB3  ASP  14           1HB      ASP  14 -11.990 -10.666   3.251
   96    H    LYS  15           H        LYS  15  -9.575  -9.550  -0.115
   97    HA   LYS  15           HA       LYS  15  -7.691 -11.241   1.396
   98    HB2  LYS  15           2HB      LYS  15  -8.317 -11.375  -1.566
   99    HB3  LYS  15           1HB      LYS  15  -7.000 -12.265  -0.809
  100    HG2  LYS  15           2HG      LYS  15  -8.688 -13.481   0.550
  101    HG3  LYS  15           1HG      LYS  15  -9.955 -12.617  -0.319
  102    HD2  LYS  15           2HD      LYS  15  -9.132 -13.571  -2.438
  103    HD3  LYS  15           1HD      LYS  15  -7.864 -14.407  -1.557
  104    HE2  LYS  15           2HE      LYS  15  -9.572 -15.653  -0.303
  105    HE3  LYS  15           1HE      LYS  15 -10.840 -14.867  -1.242
  106    HZ1  LYS  15           3HZ      LYS  15  -9.912 -15.900  -3.267
  107    HZ2  LYS  15           1HZ      LYS  15 -10.330 -17.052  -2.110
  108    HZ3  LYS  15           2HZ      LYS  15  -8.732 -16.661  -2.326
  109    H    VAL  16           H        VAL  16  -8.008  -8.193   0.479
  110    HA   VAL  16           HA       VAL  16  -5.340  -8.011  -0.666
  111    HB   VAL  16           HB       VAL  16  -7.005  -6.744  -1.960
  112   HG11  VAL  16          1HG1      VAL  16  -8.110  -4.760  -1.007
  113   HG12  VAL  16          2HG1      VAL  16  -7.411  -5.226   0.559
  114   HG13  VAL  16          3HG1      VAL  16  -8.592  -6.278  -0.210
  115   HG21  VAL  16          3HG2      VAL  16  -5.163  -4.887  -0.471
  116   HG22  VAL  16          1HG2      VAL  16  -5.873  -4.584  -2.057
  117   HG23  VAL  16          2HG2      VAL  16  -4.679  -5.884  -1.832
  118    H    ASP  17           H        ASP  17  -3.984  -8.082   0.799
  119    HA   ASP  17           HA       ASP  17  -4.092  -6.716   3.287
  120    HB2  ASP  17           2HB      ASP  17  -2.798  -8.788   2.938
  121    HB3  ASP  17           1HB      ASP  17  -1.651  -7.900   1.949
  122    H    TRP  18           H        TRP  18  -2.621  -5.053   4.020
  123    HA   TRP  18           HA       TRP  18  -2.306  -2.917   1.993
  124    HB2  TRP  18           2HB      TRP  18  -3.131  -2.704   4.903
  125    HB3  TRP  18           1HB      TRP  18  -2.826  -1.349   3.825
  126    HD1  TRP  18           HD       TRP  18  -5.045  -4.481   3.272
  127    HE1  TRP  18           1HE      TRP  18  -7.378  -3.713   2.630
  128    HE3  TRP  18           3HE      TRP  18  -4.280   0.520   3.664
  129    HZ2  TRP  18           2HZ      TRP  18  -8.740  -1.252   2.355
  130    HZ3  TRP  18           3HZ      TRP  18  -6.148   2.050   3.203
  131    HH2  TRP  18           HH       TRP  18  -8.343   1.195   2.565
  132    H    VAL  19           H        VAL  19  -0.567  -1.181   2.628
  133    HA   VAL  19           HA       VAL  19   1.444  -2.427   4.233
  134    HB   VAL  19           HB       VAL  19   3.137  -1.552   2.616
  135   HG11  VAL  19          1HG1      VAL  19   1.214  -3.549   1.433
  136   HG12  VAL  19          2HG1      VAL  19   2.520  -3.896   2.566
  137   HG13  VAL  19          3HG1      VAL  19   2.892  -3.305   0.944
  138   HG21  VAL  19          3HG2      VAL  19   0.752  -1.116   0.809
  139   HG22  VAL  19          1HG2      VAL  19   2.446  -0.960   0.329
  140   HG23  VAL  19          2HG2      VAL  19   1.762   0.142   1.519
  141    H    GLN  20           H        GLN  20   2.453  -1.060   5.479
  142    HA   GLN  20           HA       GLN  20   1.649   1.797   5.489
  143    HB2  GLN  20           2HB      GLN  20   1.212   0.495   7.560
  144    HB3  GLN  20           1HB      GLN  20   2.927   0.137   7.682
  145    HG2  GLN  20           2HG      GLN  20   3.390   2.557   7.928
  146    HG3  GLN  20           1HG      GLN  20   1.677   2.885   7.852
  147   HE21  GLN  20          1HE2      GLN  20   3.587   3.443   9.982
  148   HE22  GLN  20          2HE2      GLN  20   2.975   2.664  11.369
  149    H    CYS  21           H        CYS  21   3.240   3.379   5.228
  150    HA   CYS  21           HA       CYS  21   5.905   2.314   4.701
  151    HB2  CYS  21           2HB      CYS  21   6.492   4.574   3.752
  152    HB3  CYS  21           1HB      CYS  21   5.029   3.957   3.047
  153    H    ASP  22           H        ASP  22   7.067   1.941   6.350
  154    HA   ASP  22           HA       ASP  22   6.710   3.325   8.891
  155    HB2  ASP  22           2HB      ASP  22   8.359   0.974   8.011
  156    HB3  ASP  22           1HB      ASP  22   8.502   1.648   9.634
  157    H    GLY  23           H        GLY  23   7.832   4.717   6.683
  158    HA2  GLY  23           2HA      GLY  23  10.603   5.183   7.594
  159    HA3  GLY  23           1HA      GLY  23  10.091   5.431   5.933
  160    H    GLY  24           H        GLY  24   7.657   6.625   8.136
  161    HA2  GLY  24           2HA      GLY  24   8.461   8.903   9.186
  162    HA3  GLY  24           1HA      GLY  24   8.642   9.273   7.488
  163    H    CYS  25           H        CYS  25   6.213   7.957   6.542
  164    HA   CYS  25           HA       CYS  25   4.397  10.129   7.321
  165    HB2  CYS  25           2HB      CYS  25   3.754   7.921   5.351
  166    HB3  CYS  25           1HB      CYS  25   3.043   9.528   5.439
  167    H    ASP  26           H        ASP  26   4.835   6.690   7.577
  168    HA   ASP  26           HA       ASP  26   3.748   4.985   8.514
  169    HB2  ASP  26           2HB      ASP  26   3.104   7.186  10.550
  170    HB3  ASP  26           1HB      ASP  26   2.675   5.496  10.808
  171    H    GLU  27           H        GLU  27   2.290   6.459   6.465
  172    HA   GLU  27           HA       GLU  27  -0.530   6.169   7.183
  173    HB2  GLU  27           2HB      GLU  27   0.739   7.026   4.553
  174    HB3  GLU  27           1HB      GLU  27  -0.976   7.005   4.871
  175    HG2  GLU  27           2HG      GLU  27  -0.613   8.744   6.637
  176    HG3  GLU  27           1HG      GLU  27   1.103   8.764   6.186
  177    H    TRP  28           H        TRP  28  -1.894   5.054   5.501
  178    HA   TRP  28           HA       TRP  28  -0.725   2.385   4.985
  179    HB2  TRP  28           2HB      TRP  28  -3.556   3.108   5.762
  180    HB3  TRP  28           1HB      TRP  28  -3.071   1.499   5.232
  181    HD1  TRP  28           HD       TRP  28  -2.426   4.009   8.108
  182    HE1  TRP  28           1HE      TRP  28  -1.657   2.693  10.171
  183    HE3  TRP  28           3HE      TRP  28  -2.158  -0.662   6.047
  184    HZ2  TRP  28           2HZ      TRP  28  -1.063   0.025  10.842
  185    HZ3  TRP  28           3HZ      TRP  28  -1.485  -2.552   7.474
  186    HH2  TRP  28           HH       TRP  28  -0.956  -2.219   9.825
  187    H    PHE  29           H        PHE  29  -0.669   1.617   3.031
  188    HA   PHE  29           HA       PHE  29  -2.049   3.064   0.857
  189    HB2  PHE  29           2HB      PHE  29   0.616   1.594   0.705
  190    HB3  PHE  29           1HB      PHE  29  -0.112   2.598  -0.507
  191    HD1  PHE  29           1HD      PHE  29   1.133   2.806   3.000
  192    HD2  PHE  29           2HD      PHE  29   0.640   4.798  -0.730
  193    HE1  PHE  29           1HE      PHE  29   2.421   4.692   3.835
  194    HE2  PHE  29           2HE      PHE  29   1.939   6.707   0.128
  195    HZ   PHE  29           HZ       PHE  29   2.826   6.626   2.452
  196    H    HIS  30           H        HIS  30  -2.565   1.714  -0.972
  197    HA   HIS  30           HA       HIS  30  -3.157  -1.130  -0.362
  198    HB2  HIS  30           2HB      HIS  30  -4.028   0.767  -2.422
  199    HB3  HIS  30           1HB      HIS  30  -4.294  -0.848  -2.874
  200    HD2  HIS  30           2HD      HIS  30  -6.168  -2.047  -0.697
  201    HE1  HIS  30           1HE      HIS  30  -8.081   1.730  -0.534
  202    HE2  HIS  30           2HE      HIS  30  -8.373  -0.764  -0.342
  203    H    GLN  31           H        GLN  31  -2.057  -2.740  -1.396
  204    HA   GLN  31           HA       GLN  31   0.359  -2.257  -2.590
  205    HB2  GLN  31           2HB      GLN  31  -1.349  -4.729  -2.839
  206    HB3  GLN  31           1HB      GLN  31   0.266  -4.627  -3.515
  207    HG2  GLN  31           2HG      GLN  31   1.164  -4.168  -1.289
  208    HG3  GLN  31           1HG      GLN  31  -0.439  -4.311  -0.602
  209   HE21  GLN  31          1HE2      GLN  31  -1.355  -6.362  -0.412
  210   HE22  GLN  31          2HE2      GLN  31  -0.416  -7.795  -0.587
  211    H    VAL  32           H        VAL  32  -2.698  -2.824  -4.334
  212    HA   VAL  32           HA       VAL  32  -1.400  -2.622  -6.881
  213    HB   VAL  32           HB       VAL  32  -3.521  -3.868  -6.698
  214   HG11  VAL  32          1HG1      VAL  32  -4.646  -1.165  -6.192
  215   HG12  VAL  32          2HG1      VAL  32  -4.509  -2.450  -4.991
  216   HG13  VAL  32          3HG1      VAL  32  -5.635  -2.627  -6.375
  217   HG21  VAL  32          3HG2      VAL  32  -2.925  -2.828  -8.881
  218   HG22  VAL  32          1HG2      VAL  32  -3.815  -1.407  -8.341
  219   HG23  VAL  32          2HG2      VAL  32  -4.696  -2.905  -8.638
  220    H    CYS  33           H        CYS  33  -3.067  -0.401  -4.918
  221    HA   CYS  33           HA       CYS  33  -3.198   1.697  -6.915
  222    HB2  CYS  33           2HB      CYS  33  -4.256   3.121  -5.364
  223    HB3  CYS  33           1HB      CYS  33  -4.865   1.547  -4.957
  224    H    VAL  34           H        VAL  34  -0.761   0.928  -4.477
  225    HA   VAL  34           HA       VAL  34   0.644   3.283  -5.384
  226    HB   VAL  34           HB       VAL  34   0.216   2.517  -2.815
  227   HG11  VAL  34          1HG1      VAL  34   1.899   1.394  -1.792
  228   HG12  VAL  34          2HG1      VAL  34   2.650   1.072  -3.337
  229   HG13  VAL  34          3HG1      VAL  34   1.060   0.381  -2.976
  230   HG21  VAL  34          3HG2      VAL  34   2.067   3.826  -2.191
  231   HG22  VAL  34          1HG2      VAL  34   1.229   4.499  -3.580
  232   HG23  VAL  34          2HG2      VAL  34   2.773   3.654  -3.837
  233    H    GLY  35           H        GLY  35   0.295   0.422  -6.519
  234    HA2  GLY  35           2HA      GLY  35   1.526  -1.200  -7.668
  235    HA3  GLY  35           1HA      GLY  35   2.676   0.094  -7.891
  236    H    VAL  36           H        VAL  36   1.744  -2.274  -5.262
  237    HA   VAL  36           HA       VAL  36   4.561  -2.864  -4.720
  238    HB   VAL  36           HB       VAL  36   2.052  -2.994  -3.011
  239   HG11  VAL  36          1HG1      VAL  36   3.476  -3.720  -1.165
  240   HG12  VAL  36          2HG1      VAL  36   4.840  -3.911  -2.297
  241   HG13  VAL  36          3HG1      VAL  36   3.417  -4.917  -2.450
  242   HG21  VAL  36          3HG2      VAL  36   3.238  -1.410  -1.583
  243   HG22  VAL  36          1HG2      VAL  36   2.916  -0.815  -3.206
  244   HG23  VAL  36          2HG2      VAL  36   4.535  -1.365  -2.781
  245    H    SER  37           H        SER  37   4.964  -5.351  -4.688
  246    HA   SER  37           HA       SER  37   2.777  -6.809  -5.842
  247    HB2  SER  37           2HB      SER  37   4.646  -8.451  -6.210
  248    HB3  SER  37           1HB      SER  37   4.889  -6.911  -7.044
  249    HG   SER  37           HG       SER  37   6.756  -7.601  -5.989
  250    HA   PRO  38           HA       PRO  38   1.759  -8.916  -2.068
  251    HB2  PRO  38           2HB      PRO  38   1.950 -11.582  -2.862
  252    HB3  PRO  38           1HB      PRO  38   0.536 -10.528  -3.099
  253    HG2  PRO  38           2HG      PRO  38   2.760 -11.191  -4.966
  254    HG3  PRO  38           1HG      PRO  38   1.021 -11.116  -5.304
  255    HD2  PRO  38           2HD      PRO  38   2.619  -9.108  -6.035
  256    HD3  PRO  38           1HD      PRO  38   1.040  -8.754  -5.297
  257    H    GLU  39           H        GLU  39   4.735 -10.113  -3.757
  258    HA   GLU  39           HA       GLU  39   5.737 -11.485  -1.537
  259    HB2  GLU  39           2HB      GLU  39   6.944 -10.400  -4.063
  260    HB3  GLU  39           1HB      GLU  39   7.837 -11.298  -2.843
  261    HG2  GLU  39           2HG      GLU  39   6.383 -13.212  -3.237
  262    HG3  GLU  39           1HG      GLU  39   5.538 -12.292  -4.482
  263    H    MET  40           H        MET  40   5.715  -8.197  -2.625
  264    HA   MET  40           HA       MET  40   8.084  -7.296  -1.326
  265    HB2  MET  40           2HB      MET  40   6.897  -6.196  -3.316
  266    HB3  MET  40           1HB      MET  40   5.634  -5.813  -2.213
  267    HG2  MET  40           2HG      MET  40   7.075  -4.266  -0.992
  268    HG3  MET  40           1HG      MET  40   8.433  -4.741  -2.024
  269    HE1  MET  40           3HE      MET  40   8.725  -2.027  -2.769
  270    HE2  MET  40           1HE      MET  40   7.307  -1.715  -1.719
  271    HE3  MET  40           2HE      MET  40   7.275  -1.182  -3.387
  272    H    ALA  41           H        ALA  41   4.605  -7.147  -0.598
  273    HA   ALA  41           HA       ALA  41   4.723  -5.722   1.779
  274    HB1  ALA  41           1HB      ALA  41   2.715  -6.133   0.472
  275    HB2  ALA  41           2HB      ALA  41   2.485  -6.587   2.161
  276    HB3  ALA  41           3HB      ALA  41   2.748  -7.834   0.928
  277    H    GLU  42           H        GLU  42   4.821  -9.153   1.280
  278    HA   GLU  42           HA       GLU  42   5.030  -9.622   4.151
  279    HB2  GLU  42           2HB      GLU  42   5.026 -11.657   1.924
  280    HB3  GLU  42           1HB      GLU  42   5.084 -12.058   3.633
  281    HG2  GLU  42           2HG      GLU  42   2.929 -10.902   3.938
  282    HG3  GLU  42           1HG      GLU  42   2.879 -10.606   2.207
  283    H    ASN  43           H        ASN  43   7.350  -9.131   1.723
  284    HA   ASN  43           HA       ASN  43   9.317 -10.515   3.396
  285    HB2  ASN  43           2HB      ASN  43   9.197 -10.230   0.436
  286    HB3  ASN  43           1HB      ASN  43  10.670 -10.701   1.257
  287   HD21  ASN  43          1HD2      ASN  43   8.953 -12.159  -0.650
  288   HD22  ASN  43          2HD2      ASN  43   8.503 -13.621   0.161
  289    H    GLU  44           H        GLU  44   8.719  -7.459   1.696
  290    HA   GLU  44           HA       GLU  44  11.314  -6.671   2.721
  291    HB2  GLU  44           2HB      GLU  44  10.327  -5.958  -0.059
  292    HB3  GLU  44           1HB      GLU  44  11.782  -5.342   0.722
  293    HG2  GLU  44           2HG      GLU  44  12.647  -7.611   0.902
  294    HG3  GLU  44           1HG      GLU  44  11.237  -8.226   0.053
  295    H    ASP  45           H        ASP  45  11.699  -4.441   2.893
  296    HA   ASP  45           HA       ASP  45   9.705  -3.210   4.477
  297    HB2  ASP  45           2HB      ASP  45  12.002  -3.131   5.104
  298    HB3  ASP  45           1HB      ASP  45  12.484  -2.446   3.575
  299    H    TYR  46           H        TYR  46   8.049  -2.199   3.640
  300    HA   TYR  46           HA       TYR  46   8.163  -0.881   1.126
  301    HB2  TYR  46           2HB      TYR  46   6.056  -1.964   1.555
  302    HB3  TYR  46           1HB      TYR  46   5.849  -1.102   3.085
  303    HD1  TYR  46           1HD      TYR  46   5.756  -0.751  -0.624
  304    HD2  TYR  46           2HD      TYR  46   4.993   1.116   3.114
  305    HE1  TYR  46           1HE      TYR  46   4.530   1.115  -1.763
  306    HE2  TYR  46           2HE      TYR  46   3.802   2.922   1.947
  307    HH   TYR  46           HH       TYR  46   2.870   2.749  -1.196
  308    H    ILE  47           H        ILE  47   8.991   0.788   0.867
  309    HA   ILE  47           HA       ILE  47   8.622   3.108   2.668
  310    HB   ILE  47           HB       ILE  47  10.823   2.665   0.608
  311   HG12  ILE  47          2HG1      ILE  47  11.111   1.245   2.592
  312   HG13  ILE  47          1HG1      ILE  47  12.337   2.512   2.529
  313   HG21  ILE  47          1HG2      ILE  47  11.850   4.683   1.482
  314   HG22  ILE  47          2HG2      ILE  47  10.507   4.863   2.614
  315   HG23  ILE  47          3HG2      ILE  47  10.218   5.025   0.870
  316   HD11  ILE  47          3HD1      ILE  47  11.091   3.773   4.213
  317   HD12  ILE  47          1HD1      ILE  47  11.516   2.159   4.793
  318   HD13  ILE  47          2HD1      ILE  47   9.872   2.500   4.262
  319    H    CYS  48           H        CYS  48   7.729   5.147   1.656
  320    HA   CYS  48           HA       CYS  48   6.322   4.487  -0.829
  321    HB2  CYS  48           2HB      CYS  48   4.786   6.180  -0.265
  322    HB3  CYS  48           1HB      CYS  48   5.071   5.361   1.271
  323    H    ILE  49           H        ILE  49   5.938   6.526  -2.126
  324    HA   ILE  49           HA       ILE  49   8.250   7.479  -3.291
  325    HB   ILE  49           HB       ILE  49   6.133   7.554  -4.435
  326   HG12  ILE  49          2HG1      ILE  49   7.237  10.301  -4.062
  327   HG13  ILE  49          1HG1      ILE  49   7.965   9.056  -5.083
  328   HG21  ILE  49          1HG2      ILE  49   5.345   9.737  -2.506
  329   HG22  ILE  49          2HG2      ILE  49   4.624   8.129  -2.618
  330   HG23  ILE  49          3HG2      ILE  49   4.443   9.275  -3.950
  331   HD11  ILE  49          3HD1      ILE  49   5.982   9.012  -6.445
  332   HD12  ILE  49          1HD1      ILE  49   6.662  10.643  -6.427
  333   HD13  ILE  49          2HD1      ILE  49   5.231  10.266  -5.444
  334    H    ASN  50           H        ASN  50   6.491   8.905  -0.640
  335    HA   ASN  50           HA       ASN  50   8.093  11.324  -0.681
  336    HB2  ASN  50           2HB      ASN  50   5.986  10.415   1.293
  337    HB3  ASN  50           1HB      ASN  50   6.881  11.925   1.427
  338   HD21  ASN  50          1HD2      ASN  50   6.462  13.593  -0.047
  339   HD22  ASN  50          2HD2      ASN  50   5.051  13.572  -1.055
  340    H    CYS  51           H        CYS  51   8.043   8.331   1.038
  341    HA   CYS  51           HA       CYS  51  10.023   9.179   2.914
  342    HB2  CYS  51           2HB      CYS  51   8.878   6.443   2.301
  343    HB3  CYS  51           1HB      CYS  51  10.210   6.706   3.440
  344    H    ALA  52           H        ALA  52   9.989   7.821  -0.208
  345    HA   ALA  52           HA       ALA  52  12.842   7.119  -0.103
  346    HB1  ALA  52           3HB      ALA  52  11.331   5.381  -0.952
  347    HB2  ALA  52           1HB      ALA  52  12.489   5.885  -2.186
  348    HB3  ALA  52           2HB      ALA  52  10.829   6.463  -2.254
  Start of MODEL    6
    1    HA   SER   1           HA       SER   1 -12.566   4.889   3.427
    2    HB2  SER   1           2HB      SER   1 -14.069   6.842   3.725
    3    HB3  SER   1           1HB      SER   1 -12.996   7.810   2.698
    4    HG   SER   1           HG       SER   1 -14.337   5.451   1.865
    5    H    VAL   2           H        VAL   2 -10.710   7.743   2.315
    6    HA   VAL   2           HA       VAL   2  -9.744   6.160   0.056
    7    HB   VAL   2           HB       VAL   2  -9.374   9.117   0.618
    8   HG11  VAL   2          1HG1      VAL   2  -8.880   7.567  -1.924
    9   HG12  VAL   2          2HG1      VAL   2  -7.644   8.217  -0.850
   10   HG13  VAL   2          3HG1      VAL   2  -8.691   9.310  -1.738
   11   HG21  VAL   2          3HG2      VAL   2 -11.755   8.633   0.290
   12   HG22  VAL   2          1HG2      VAL   2 -11.386   7.794  -1.211
   13   HG23  VAL   2          2HG2      VAL   2 -11.126   9.536  -1.079
   14    H    CYS   3           H        CYS   3  -7.613   5.571   0.002
   15    HA   CYS   3           HA       CYS   3  -6.183   5.961   2.500
   16    HB2  CYS   3           2HB      CYS   3  -5.250   3.904   2.151
   17    HB3  CYS   3           1HB      CYS   3  -6.539   3.708   0.977
   18    H    ALA   4           H        ALA   4  -3.614   5.831   1.874
   19    HA   ALA   4           HA       ALA   4  -3.116   8.375   0.508
   20    HB1  ALA   4           1HB      ALA   4  -1.277   6.732   2.325
   21    HB2  ALA   4           2HB      ALA   4  -2.148   8.174   2.796
   22    HB3  ALA   4           3HB      ALA   4  -0.874   8.275   1.590
   23    H    ALA   5           H        ALA   5  -2.600   8.132  -1.655
   24    HA   ALA   5           HA       ALA   5  -0.279   6.688  -2.436
   25    HB1  ALA   5           1HB      ALA   5  -1.325   5.089  -4.017
   26    HB2  ALA   5           2HB      ALA   5  -2.914   5.590  -3.488
   27    HB3  ALA   5           3HB      ALA   5  -1.849   4.760  -2.368
   28    H    GLN   6           H        GLN   6   0.509   7.493  -4.449
   29    HA   GLN   6           HA       GLN   6  -0.175   9.723  -5.694
   30    HB2  GLN   6           2HB      GLN   6   0.593   7.151  -7.082
   31    HB3  GLN   6           1HB      GLN   6   0.835   8.771  -7.722
   32    HG2  GLN   6           2HG      GLN   6   2.492   9.205  -6.070
   33    HG3  GLN   6           1HG      GLN   6   2.117   7.696  -5.221
   34   HE21  GLN   6          1HE2      GLN   6   2.778   5.724  -6.176
   35   HE22  GLN   6          2HE2      GLN   6   3.978   5.687  -7.394
   36    H    ASN   7           H        ASN   7  -1.410   6.686  -6.398
   37    HA   ASN   7           HA       ASN   7  -3.954   7.813  -7.401
   38    HB2  ASN   7           2HB      ASN   7  -2.649   7.328  -9.457
   39    HB3  ASN   7           1HB      ASN   7  -2.542   5.633  -8.961
   40   HD21  ASN   7          1HD2      ASN   7  -3.568   5.062 -10.937
   41   HD22  ASN   7          2HD2      ASN   7  -5.259   5.248 -11.126
   42    H    CYS   8           H        CYS   8  -5.359   7.078  -5.950
   43    HA   CYS   8           HA       CYS   8  -4.940   4.361  -5.161
   44    HB2  CYS   8           2HB      CYS   8  -5.114   5.861  -3.247
   45    HB3  CYS   8           1HB      CYS   8  -6.695   6.404  -3.808
   46    H    GLN   9           H        GLN   9  -5.952   2.924  -6.286
   47    HA   GLN   9           HA       GLN   9  -8.201   3.275  -7.948
   48    HB2  GLN   9           2HB      GLN   9  -7.013   0.761  -6.782
   49    HB3  GLN   9           1HB      GLN   9  -8.064   0.794  -8.177
   50    HG2  GLN   9           2HG      GLN   9  -6.341   2.089  -9.412
   51    HG3  GLN   9           1HG      GLN   9  -5.312   2.016  -7.997
   52   HE21  GLN   9          1HE2      GLN   9  -3.682   0.913  -9.066
   53   HE22  GLN   9          2HE2      GLN   9  -3.853  -0.715  -9.555
   54    H    ARG  10           H        ARG  10  -8.017   3.081  -4.631
   55    HA   ARG  10           HA       ARG  10  -9.370   2.505  -2.863
   56    HB2  ARG  10           2HB      ARG  10 -11.294   3.557  -4.903
   57    HB3  ARG  10           1HB      ARG  10 -11.785   3.169  -3.244
   58    HG2  ARG  10           2HG      ARG  10 -10.284   4.797  -2.368
   59    HG3  ARG  10           1HG      ARG  10  -9.577   5.089  -3.958
   60    HD2  ARG  10           2HD      ARG  10 -12.452   5.601  -3.248
   61    HD3  ARG  10           1HD      ARG  10 -11.198   6.843  -3.192
   62    HE   ARG  10           HE       ARG  10 -11.120   5.695  -5.721
   63   HH11  ARG  10          1HH1      ARG  10 -13.488   7.594  -3.844
   64   HH12  ARG  10          2HH1      ARG  10 -14.048   8.410  -5.218
   65   HH21  ARG  10          1HH2      ARG  10 -11.954   6.882  -7.552
   66   HH22  ARG  10          2HH2      ARG  10 -13.180   8.050  -7.291
   67    HA   PRO  11           HA       PRO  11 -10.987  -1.617  -4.653
   68    HB2  PRO  11           2HB      PRO  11  -8.525  -2.877  -3.732
   69    HB3  PRO  11           1HB      PRO  11  -9.244  -2.945  -5.362
   70    HG2  PRO  11           2HG      PRO  11  -6.946  -1.651  -4.870
   71    HG3  PRO  11           1HG      PRO  11  -8.133  -1.022  -6.034
   72    HD2  PRO  11           2HD      PRO  11  -7.693  -0.262  -3.170
   73    HD3  PRO  11           1HD      PRO  11  -7.857   0.810  -4.576
   74    H    CYS  12           H        CYS  12 -12.176  -2.815  -3.289
   75    HA   CYS  12           HA       CYS  12 -11.257  -3.155  -0.549
   76    HB2  CYS  12           2HB      CYS  12 -12.945  -1.381  -0.608
   77    HB3  CYS  12           1HB      CYS  12 -14.078  -2.439  -1.429
   78    HG   CYS  12           HG       CYS  12 -15.146  -2.486   0.978
   79    H    LYS  13           H        LYS  13 -10.971  -5.252  -0.253
   80    HA   LYS  13           HA       LYS  13 -12.967  -7.194  -1.043
   81    HB2  LYS  13           2HB      LYS  13 -10.010  -7.450  -1.717
   82    HB3  LYS  13           1HB      LYS  13 -11.194  -8.727  -1.881
   83    HG2  LYS  13           2HG      LYS  13 -12.314  -7.455  -3.626
   84    HG3  LYS  13           1HG      LYS  13 -11.160  -6.144  -3.430
   85    HD2  LYS  13           2HD      LYS  13  -9.310  -7.604  -4.042
   86    HD3  LYS  13           1HD      LYS  13 -10.392  -8.975  -4.216
   87    HE2  LYS  13           2HE      LYS  13 -10.491  -6.445  -5.856
   88    HE3  LYS  13           1HE      LYS  13  -9.740  -7.953  -6.382
   89    HZ1  LYS  13           3HZ      LYS  13 -11.928  -7.724  -7.306
   90    HZ2  LYS  13           1HZ      LYS  13 -12.662  -7.560  -5.812
   91    HZ3  LYS  13           2HZ      LYS  13 -11.940  -9.008  -6.265
   92    H    ASP  14           H        ASP  14 -12.447  -9.240   0.201
   93    HA   ASP  14           HA       ASP  14 -11.484  -8.740   2.832
   94    HB2  ASP  14           2HB      ASP  14 -11.966 -11.357   1.379
   95    HB3  ASP  14           1HB      ASP  14 -11.526 -11.253   3.071
   96    H    LYS  15           H        LYS  15 -10.253 -10.941   0.272
   97    HA   LYS  15           HA       LYS  15  -7.853 -11.588   1.342
   98    HB2  LYS  15           2HB      LYS  15  -8.843 -11.599  -1.490
   99    HB3  LYS  15           1HB      LYS  15  -7.518 -12.577  -0.869
  100    HG2  LYS  15           2HG      LYS  15  -9.117 -13.773   0.612
  101    HG3  LYS  15           1HG      LYS  15 -10.418 -12.779  -0.018
  102    HD2  LYS  15           2HD      LYS  15  -9.977 -13.683  -2.300
  103    HD3  LYS  15           1HD      LYS  15  -8.695 -14.663  -1.609
  104    HE2  LYS  15           2HE      LYS  15 -10.724 -15.981  -1.935
  105    HE3  LYS  15           1HE      LYS  15 -10.302 -15.851  -0.235
  106    HZ1  LYS  15           3HZ      LYS  15 -12.696 -15.582  -0.748
  107    HZ2  LYS  15           1HZ      LYS  15 -12.369 -14.170  -1.579
  108    HZ3  LYS  15           2HZ      LYS  15 -12.091 -14.271   0.106
  109    H    VAL  16           H        VAL  16  -7.984  -8.492   1.088
  110    HA   VAL  16           HA       VAL  16  -5.541  -8.340  -0.496
  111    HB   VAL  16           HB       VAL  16  -7.191  -7.175  -1.859
  112   HG11  VAL  16          1HG1      VAL  16  -8.781  -6.573  -0.114
  113   HG12  VAL  16          2HG1      VAL  16  -8.295  -5.142  -1.050
  114   HG13  VAL  16          3HG1      VAL  16  -7.573  -5.464   0.546
  115   HG21  VAL  16          3HG2      VAL  16  -6.025  -5.031  -2.128
  116   HG22  VAL  16          1HG2      VAL  16  -4.880  -6.333  -1.804
  117   HG23  VAL  16          2HG2      VAL  16  -5.311  -5.221  -0.512
  118    H    ASP  17           H        ASP  17  -4.086  -8.214   0.749
  119    HA   ASP  17           HA       ASP  17  -3.979  -6.847   3.252
  120    HB2  ASP  17           2HB      ASP  17  -2.561  -8.789   2.812
  121    HB3  ASP  17           1HB      ASP  17  -1.700  -7.895   1.568
  122    H    TRP  18           H        TRP  18  -2.851  -5.028   3.887
  123    HA   TRP  18           HA       TRP  18  -2.499  -2.945   1.821
  124    HB2  TRP  18           2HB      TRP  18  -3.384  -2.713   4.708
  125    HB3  TRP  18           1HB      TRP  18  -3.068  -1.353   3.629
  126    HD1  TRP  18           HD       TRP  18  -5.277  -4.532   3.078
  127    HE1  TRP  18           1HE      TRP  18  -7.612  -3.790   2.444
  128    HE3  TRP  18           3HE      TRP  18  -4.583   0.497   3.449
  129    HZ2  TRP  18           2HZ      TRP  18  -9.042  -1.332   2.164
  130    HZ3  TRP  18           3HZ      TRP  18  -6.477   2.001   2.999
  131    HH2  TRP  18           HH       TRP  18  -8.676   1.101   2.379
  132    H    VAL  19           H        VAL  19  -0.728  -1.196   2.470
  133    HA   VAL  19           HA       VAL  19   1.218  -2.433   4.190
  134    HB   VAL  19           HB       VAL  19   3.000  -1.489   2.680
  135   HG11  VAL  19          1HG1      VAL  19   2.503  -3.881   2.623
  136   HG12  VAL  19          2HG1      VAL  19   2.896  -3.291   1.008
  137   HG13  VAL  19          3HG1      VAL  19   1.224  -3.595   1.446
  138   HG21  VAL  19          3HG2      VAL  19   1.718   0.143   1.407
  139   HG22  VAL  19          1HG2      VAL  19   0.697  -1.138   0.747
  140   HG23  VAL  19          2HG2      VAL  19   2.404  -1.042   0.314
  141    H    GLN  20           H        GLN  20   2.198  -1.115   5.483
  142    HA   GLN  20           HA       GLN  20   1.388   1.716   5.531
  143    HB2  GLN  20           2HB      GLN  20   0.834   0.365   7.562
  144    HB3  GLN  20           1HB      GLN  20   2.526  -0.041   7.728
  145    HG2  GLN  20           2HG      GLN  20   3.059   2.299   8.118
  146    HG3  GLN  20           1HG      GLN  20   1.375   2.742   7.928
  147   HE21  GLN  20          1HE2      GLN  20   3.141   3.118  10.201
  148   HE22  GLN  20          2HE2      GLN  20   2.418   2.329  11.520
  149    H    CYS  21           H        CYS  21   2.960   3.300   5.430
  150    HA   CYS  21           HA       CYS  21   5.661   2.315   4.819
  151    HB2  CYS  21           2HB      CYS  21   6.141   4.597   3.889
  152    HB3  CYS  21           1HB      CYS  21   4.641   3.954   3.246
  153    H    ASP  22           H        ASP  22   6.946   1.975   6.390
  154    HA   ASP  22           HA       ASP  22   6.696   3.430   8.906
  155    HB2  ASP  22           2HB      ASP  22   8.335   1.013   8.122
  156    HB3  ASP  22           1HB      ASP  22   8.452   1.781   9.704
  157    H    GLY  23           H        GLY  23   7.697   4.684   6.532
  158    HA2  GLY  23           2HA      GLY  23  10.524   5.119   7.162
  159    HA3  GLY  23           1HA      GLY  23   9.710   5.650   5.688
  160    H    GLY  24           H        GLY  24   7.489   6.426   7.936
  161    HA2  GLY  24           2HA      GLY  24   8.263   8.421   9.544
  162    HA3  GLY  24           1HA      GLY  24   8.500   9.135   7.973
  163    H    CYS  25           H        CYS  25   5.948   7.626   7.016
  164    HA   CYS  25           HA       CYS  25   4.202   9.836   7.899
  165    HB2  CYS  25           2HB      CYS  25   3.442   7.793   5.810
  166    HB3  CYS  25           1HB      CYS  25   2.786   9.401   6.032
  167    H    ASP  26           H        ASP  26   4.453   6.376   8.166
  168    HA   ASP  26           HA       ASP  26   3.203   4.687   9.048
  169    HB2  ASP  26           2HB      ASP  26   2.207   6.902  10.893
  170    HB3  ASP  26           1HB      ASP  26   1.857   5.209  11.130
  171    H    GLU  27           H        GLU  27   2.023   6.349   6.858
  172    HA   GLU  27           HA       GLU  27  -0.828   5.997   7.269
  173    HB2  GLU  27           2HB      GLU  27   0.701   7.158   4.920
  174    HB3  GLU  27           1HB      GLU  27  -1.045   7.075   5.013
  175    HG2  GLU  27           2HG      GLU  27  -0.957   8.451   7.102
  176    HG3  GLU  27           1HG      GLU  27   0.781   8.581   6.843
  177    H    TRP  28           H        TRP  28  -2.097   5.017   5.611
  178    HA   TRP  28           HA       TRP  28  -0.944   2.389   4.948
  179    HB2  TRP  28           2HB      TRP  28  -3.771   3.141   5.640
  180    HB3  TRP  28           1HB      TRP  28  -3.321   1.563   4.990
  181    HD1  TRP  28           HD       TRP  28  -2.800   3.739   8.145
  182    HE1  TRP  28           1HE      TRP  28  -2.106   2.187  10.064
  183    HE3  TRP  28           3HE      TRP  28  -2.362  -0.607   5.530
  184    HZ2  TRP  28           2HZ      TRP  28  -1.478  -0.564  10.434
  185    HZ3  TRP  28           3HZ      TRP  28  -1.723  -2.651   6.708
  186    HH2  TRP  28           HH       TRP  28  -1.284  -2.622   9.146
  187    H    PHE  29           H        PHE  29  -0.774   1.734   3.020
  188    HA   PHE  29           HA       PHE  29  -2.115   3.168   0.816
  189    HB2  PHE  29           2HB      PHE  29   0.585   1.735   0.726
  190    HB3  PHE  29           1HB      PHE  29  -0.155   2.723  -0.508
  191    HD1  PHE  29           1HD      PHE  29   0.956   3.008   3.028
  192    HD2  PHE  29           2HD      PHE  29   0.653   4.889  -0.755
  193    HE1  PHE  29           1HE      PHE  29   2.184   4.923   3.889
  194    HE2  PHE  29           2HE      PHE  29   1.876   6.835   0.119
  195    HZ   PHE  29           HZ       PHE  29   2.652   6.825   2.492
  196    H    HIS  30           H        HIS  30  -2.599   1.793  -0.959
  197    HA   HIS  30           HA       HIS  30  -3.089  -1.056  -0.266
  198    HB2  HIS  30           2HB      HIS  30  -3.977   0.656  -2.555
  199    HB3  HIS  30           1HB      HIS  30  -4.179  -1.027  -2.743
  200    HD2  HIS  30           2HD      HIS  30  -6.215  -2.035  -0.829
  201    HE1  HIS  30           1HE      HIS  30  -8.054   1.772  -0.729
  202    HE2  HIS  30           2HE      HIS  30  -8.396  -0.724  -0.647
  203    H    GLN  31           H        GLN  31  -1.927  -2.692  -1.201
  204    HA   GLN  31           HA       GLN  31   0.495  -2.133  -2.310
  205    HB2  GLN  31           2HB      GLN  31  -1.143  -4.653  -2.457
  206    HB3  GLN  31           1HB      GLN  31   0.443  -4.541  -3.218
  207    HG2  GLN  31           2HG      GLN  31   1.449  -4.031  -1.078
  208    HG3  GLN  31           1HG      GLN  31  -0.138  -4.066  -0.312
  209   HE21  GLN  31          1HE2      GLN  31  -1.036  -5.986   0.120
  210   HE22  GLN  31          2HE2      GLN  31  -0.248  -7.497  -0.026
  211    H    VAL  32           H        VAL  32  -2.396  -3.057  -4.163
  212    HA   VAL  32           HA       VAL  32  -1.120  -2.884  -6.676
  213    HB   VAL  32           HB       VAL  32  -3.198  -4.168  -6.389
  214   HG11  VAL  32          1HG1      VAL  32  -4.399  -1.492  -5.963
  215   HG12  VAL  32          2HG1      VAL  32  -4.179  -2.713  -4.718
  216   HG13  VAL  32          3HG1      VAL  32  -5.330  -3.001  -6.077
  217   HG21  VAL  32          3HG2      VAL  32  -3.577  -1.804  -8.138
  218   HG22  VAL  32          1HG2      VAL  32  -4.452  -3.320  -8.331
  219   HG23  VAL  32          2HG2      VAL  32  -2.712  -3.267  -8.638
  220    H    CYS  33           H        CYS  33  -2.796  -0.643  -4.763
  221    HA   CYS  33           HA       CYS  33  -3.043   1.381  -6.835
  222    HB2  CYS  33           2HB      CYS  33  -4.350   2.706  -5.437
  223    HB3  CYS  33           1HB      CYS  33  -4.626   1.152  -4.770
  224    H    VAL  34           H        VAL  34  -0.552   0.726  -4.422
  225    HA   VAL  34           HA       VAL  34   0.732   3.110  -5.397
  226    HB   VAL  34           HB       VAL  34   0.272   2.519  -2.835
  227   HG11  VAL  34          1HG1      VAL  34   1.170   0.388  -2.785
  228   HG12  VAL  34          2HG1      VAL  34   1.906   1.518  -1.659
  229   HG13  VAL  34          3HG1      VAL  34   2.764   1.084  -3.140
  230   HG21  VAL  34          3HG2      VAL  34   1.283   4.435  -3.737
  231   HG22  VAL  34          1HG2      VAL  34   2.862   3.632  -3.787
  232   HG23  VAL  34          2HG2      VAL  34   2.011   3.916  -2.212
  233    H    GLY  35           H        GLY  35   0.487   0.302  -6.491
  234    HA2  GLY  35           2HA      GLY  35   1.767  -1.178  -7.785
  235    HA3  GLY  35           1HA      GLY  35   2.981   0.074  -7.797
  236    H    VAL  36           H        VAL  36   1.971  -1.756  -4.897
  237    HA   VAL  36           HA       VAL  36   4.650  -2.874  -4.640
  238    HB   VAL  36           HB       VAL  36   2.231  -2.875  -2.813
  239   HG11  VAL  36          1HG1      VAL  36   3.750  -3.677  -1.050
  240   HG12  VAL  36          2HG1      VAL  36   5.020  -3.912  -2.286
  241   HG13  VAL  36          3HG1      VAL  36   3.522  -4.807  -2.374
  242   HG21  VAL  36          3HG2      VAL  36   4.766  -1.267  -2.762
  243   HG22  VAL  36          1HG2      VAL  36   3.554  -1.313  -1.471
  244   HG23  VAL  36          2HG2      VAL  36   3.091  -0.727  -3.047
  245    H    SER  37           H        SER  37   4.912  -5.275  -4.681
  246    HA   SER  37           HA       SER  37   2.612  -6.684  -5.668
  247    HB2  SER  37           2HB      SER  37   4.391  -8.375  -6.253
  248    HB3  SER  37           1HB      SER  37   4.662  -6.811  -7.016
  249    HG   SER  37           HG       SER  37   6.541  -6.938  -6.145
  250    HA   PRO  38           HA       PRO  38   1.924  -8.557  -1.698
  251    HB2  PRO  38           2HB      PRO  38   1.703 -11.245  -2.333
  252    HB3  PRO  38           1HB      PRO  38   0.414 -10.055  -2.537
  253    HG2  PRO  38           2HG      PRO  38   2.399 -11.030  -4.542
  254    HG3  PRO  38           1HG      PRO  38   0.644 -10.836  -4.743
  255    HD2  PRO  38           2HD      PRO  38   2.321  -9.042  -5.725
  256    HD3  PRO  38           1HD      PRO  38   0.856  -8.481  -4.894
  257    H    GLU  39           H        GLU  39   4.516  -9.777  -3.679
  258    HA   GLU  39           HA       GLU  39   5.728 -11.426  -1.668
  259    HB2  GLU  39           2HB      GLU  39   5.864 -11.881  -4.114
  260    HB3  GLU  39           1HB      GLU  39   6.767 -10.413  -4.325
  261    HG2  GLU  39           2HG      GLU  39   8.602 -11.284  -3.064
  262    HG3  GLU  39           1HG      GLU  39   7.702 -12.759  -2.681
  263    H    MET  40           H        MET  40   5.803  -8.151  -2.656
  264    HA   MET  40           HA       MET  40   8.352  -7.333  -1.619
  265    HB2  MET  40           2HB      MET  40   7.073  -6.122  -3.452
  266    HB3  MET  40           1HB      MET  40   5.866  -5.823  -2.272
  267    HG2  MET  40           2HG      MET  40   7.314  -4.277  -1.047
  268    HG3  MET  40           1HG      MET  40   8.636  -4.688  -2.143
  269    HE1  MET  40           3HE      MET  40   7.301  -1.080  -3.335
  270    HE2  MET  40           1HE      MET  40   8.760  -1.845  -2.672
  271    HE3  MET  40           2HE      MET  40   7.308  -1.662  -1.671
  272    H    ALA  41           H        ALA  41   4.973  -7.116  -0.564
  273    HA   ALA  41           HA       ALA  41   5.276  -5.567   1.717
  274    HB1  ALA  41           1HB      ALA  41   3.112  -6.051   0.639
  275    HB2  ALA  41           2HB      ALA  41   3.070  -6.437   2.340
  276    HB3  ALA  41           3HB      ALA  41   3.229  -7.726   1.161
  277    H    GLU  42           H        GLU  42   5.274  -9.041   1.442
  278    HA   GLU  42           HA       GLU  42   5.774  -9.436   4.249
  279    HB2  GLU  42           2HB      GLU  42   5.933 -11.512   2.051
  280    HB3  GLU  42           1HB      GLU  42   5.951 -11.848   3.772
  281    HG2  GLU  42           2HG      GLU  42   3.688 -10.864   3.914
  282    HG3  GLU  42           1HG      GLU  42   3.664 -10.739   2.154
  283    H    ASN  43           H        ASN  43   7.943  -8.686   1.716
  284    HA   ASN  43           HA       ASN  43  10.080 -10.016   3.172
  285    HB2  ASN  43           2HB      ASN  43   9.720  -9.719   0.232
  286    HB3  ASN  43           1HB      ASN  43  11.330  -9.928   0.928
  287   HD21  ASN  43          1HD2      ASN  43   9.584 -11.666  -0.784
  288   HD22  ASN  43          2HD2      ASN  43   9.523 -13.161   0.093
  289    H    GLU  44           H        GLU  44   9.361  -6.888   1.551
  290    HA   GLU  44           HA       GLU  44  11.904  -5.963   2.679
  291    HB2  GLU  44           2HB      GLU  44  10.861  -5.159  -0.059
  292    HB3  GLU  44           1HB      GLU  44  12.196  -4.411   0.777
  293    HG2  GLU  44           2HG      GLU  44  13.390  -6.592   0.749
  294    HG3  GLU  44           1HG      GLU  44  12.034  -7.242  -0.184
  295    H    ASP  45           H        ASP  45  12.061  -3.540   2.830
  296    HA   ASP  45           HA       ASP  45   9.920  -2.638   4.477
  297    HB2  ASP  45           2HB      ASP  45  12.192  -0.966   3.375
  298    HB3  ASP  45           1HB      ASP  45  11.204  -0.635   4.775
  299    H    TYR  46           H        TYR  46   8.070  -1.917   3.513
  300    HA   TYR  46           HA       TYR  46   8.099  -0.610   1.030
  301    HB2  TYR  46           2HB      TYR  46   6.050  -1.710   1.602
  302    HB3  TYR  46           1HB      TYR  46   5.894  -0.789   3.100
  303    HD1  TYR  46           1HD      TYR  46   5.932  -0.417  -0.596
  304    HD2  TYR  46           2HD      TYR  46   4.765   1.274   3.132
  305    HE1  TYR  46           1HE      TYR  46   4.689   1.423  -1.772
  306    HE2  TYR  46           2HE      TYR  46   3.564   3.030   1.955
  307    HH   TYR  46           HH       TYR  46   2.900   2.890  -1.267
  308    H    ILE  47           H        ILE  47   8.943   1.119   0.726
  309    HA   ILE  47           HA       ILE  47   8.613   3.437   2.556
  310    HB   ILE  47           HB       ILE  47  10.607   3.189   0.260
  311   HG12  ILE  47          2HG1      ILE  47  11.203   1.616   2.028
  312   HG13  ILE  47          1HG1      ILE  47  12.353   2.953   2.011
  313   HG21  ILE  47          1HG2      ILE  47  10.022   5.483   0.734
  314   HG22  ILE  47          2HG2      ILE  47  11.677   5.181   1.271
  315   HG23  ILE  47          3HG2      ILE  47  10.352   5.223   2.443
  316   HD11  ILE  47          3HD1      ILE  47  11.186   3.934   3.946
  317   HD12  ILE  47          1HD1      ILE  47  11.773   2.296   4.289
  318   HD13  ILE  47          2HD1      ILE  47  10.072   2.556   3.937
  319    H    CYS  48           H        CYS  48   7.524   5.422   1.712
  320    HA   CYS  48           HA       CYS  48   6.032   4.756  -0.688
  321    HB2  CYS  48           2HB      CYS  48   4.369   6.230   0.074
  322    HB3  CYS  48           1HB      CYS  48   4.883   5.408   1.537
  323    H    ILE  49           H        ILE  49   5.423   6.859  -1.817
  324    HA   ILE  49           HA       ILE  49   7.642   7.988  -3.049
  325    HB   ILE  49           HB       ILE  49   5.475   7.888  -4.140
  326   HG12  ILE  49          2HG1      ILE  49   6.300  10.739  -3.747
  327   HG13  ILE  49          1HG1      ILE  49   7.156   9.597  -4.785
  328   HG21  ILE  49          1HG2      ILE  49   4.009   8.268  -2.242
  329   HG22  ILE  49          2HG2      ILE  49   3.646   9.365  -3.566
  330   HG23  ILE  49          3HG2      ILE  49   4.545   9.947  -2.156
  331   HD11  ILE  49          3HD1      ILE  49   4.318  10.473  -5.099
  332   HD12  ILE  49          1HD1      ILE  49   5.179   9.323  -6.112
  333   HD13  ILE  49          2HD1      ILE  49   5.688  11.022  -6.093
  334    H    ASN  50           H        ASN  50   5.798   9.207  -0.274
  335    HA   ASN  50           HA       ASN  50   7.181  11.723  -0.231
  336    HB2  ASN  50           2HB      ASN  50   5.362  10.439   1.808
  337    HB3  ASN  50           1HB      ASN  50   6.007  12.075   1.948
  338   HD21  ASN  50          1HD2      ASN  50   5.185  13.710   0.644
  339   HD22  ASN  50          2HD2      ASN  50   3.759  13.490  -0.268
  340    H    CYS  51           H        CYS  51   7.438   8.656   1.358
  341    HA   CYS  51           HA       CYS  51   9.415   9.484   3.267
  342    HB2  CYS  51           2HB      CYS  51   8.569   6.750   2.303
  343    HB3  CYS  51           1HB      CYS  51   9.913   6.983   3.404
  344    H    ALA  52           H        ALA  52   9.473   8.562  -0.034
  345    HA   ALA  52           HA       ALA  52  12.314   7.947   0.001
  346    HB1  ALA  52           3HB      ALA  52  12.069   7.362  -2.360
  347    HB2  ALA  52           1HB      ALA  52  10.393   7.912  -2.328
  348    HB3  ALA  52           2HB      ALA  52  10.877   6.527  -1.352
  Start of MODEL    7
    1    HA   SER   1           HA       SER   1 -11.868   6.672   4.294
    2    HB2  SER   1           2HB      SER   1 -12.601   3.733   3.916
    3    HB3  SER   1           1HB      SER   1 -11.322   4.379   4.950
    4    HG   SER   1           HG       SER   1 -13.993   5.185   5.250
    5    H    VAL   2           H        VAL   2 -10.294   7.388   2.991
    6    HA   VAL   2           HA       VAL   2  -9.631   5.830   0.578
    7    HB   VAL   2           HB       VAL   2  -9.157   8.788   1.089
    8   HG11  VAL   2          1HG1      VAL   2  -8.587   8.909  -1.296
    9   HG12  VAL   2          2HG1      VAL   2  -8.682   7.132  -1.381
   10   HG13  VAL   2          3HG1      VAL   2  -7.470   7.911  -0.372
   11   HG21  VAL   2          3HG2      VAL   2 -10.902   9.182  -0.650
   12   HG22  VAL   2          1HG2      VAL   2 -11.528   8.394   0.807
   13   HG23  VAL   2          2HG2      VAL   2 -11.235   7.449  -0.639
   14    H    CYS   3           H        CYS   3  -7.511   5.090   0.382
   15    HA   CYS   3           HA       CYS   3  -5.879   5.401   2.720
   16    HB2  CYS   3           2HB      CYS   3  -4.987   3.393   2.096
   17    HB3  CYS   3           1HB      CYS   3  -6.358   3.308   1.001
   18    H    ALA   4           H        ALA   4  -3.352   5.414   1.913
   19    HA   ALA   4           HA       ALA   4  -3.006   7.988   0.609
   20    HB1  ALA   4           1HB      ALA   4  -1.875   7.569   2.743
   21    HB2  ALA   4           2HB      ALA   4  -0.695   7.814   1.454
   22    HB3  ALA   4           3HB      ALA   4  -1.041   6.193   2.037
   23    H    ALA   5           H        ALA   5  -2.767   7.941  -1.541
   24    HA   ALA   5           HA       ALA   5  -0.489   6.911  -2.793
   25    HB1  ALA   5           1HB      ALA   5  -3.083   5.515  -3.579
   26    HB2  ALA   5           2HB      ALA   5  -1.738   4.725  -2.774
   27    HB3  ALA   5           3HB      ALA   5  -1.542   5.309  -4.410
   28    H    GLN   6           H        GLN   6  -0.114   8.280  -4.533
   29    HA   GLN   6           HA       GLN   6  -1.630  10.449  -5.099
   30    HB2  GLN   6           2HB      GLN   6   0.221   8.916  -6.929
   31    HB3  GLN   6           1HB      GLN   6  -0.421  10.521  -7.309
   32    HG2  GLN   6           2HG      GLN   6   0.742  11.435  -5.352
   33    HG3  GLN   6           1HG      GLN   6   1.305   9.831  -4.924
   34   HE21  GLN   6          1HE2      GLN   6   2.837  12.245  -5.544
   35   HE22  GLN   6          2HE2      GLN   6   3.854  11.823  -6.880
   36    H    ASN   7           H        ASN   7  -1.765   7.365  -6.727
   37    HA   ASN   7           HA       ASN   7  -4.476   8.094  -7.623
   38    HB2  ASN   7           2HB      ASN   7  -2.585   6.193  -9.070
   39    HB3  ASN   7           1HB      ASN   7  -4.268   6.410  -9.471
   40   HD21  ASN   7          1HD2      ASN   7  -1.944   6.821 -11.110
   41   HD22  ASN   7          2HD2      ASN   7  -1.983   8.485 -11.614
   42    H    CYS   8           H        CYS   8  -5.530   7.287  -5.773
   43    HA   CYS   8           HA       CYS   8  -5.049   4.483  -5.320
   44    HB2  CYS   8           2HB      CYS   8  -5.118   5.828  -3.253
   45    HB3  CYS   8           1HB      CYS   8  -6.719   6.388  -3.692
   46    H    GLN   9           H        GLN   9  -6.120   3.104  -6.276
   47    HA   GLN   9           HA       GLN   9  -8.394   3.506  -7.904
   48    HB2  GLN   9           2HB      GLN   9  -7.220   0.970  -6.787
   49    HB3  GLN   9           1HB      GLN   9  -8.315   1.014  -8.159
   50    HG2  GLN   9           2HG      GLN   9  -6.627   2.262  -9.437
   51    HG3  GLN   9           1HG      GLN   9  -5.540   2.196  -8.053
   52   HE21  GLN   9          1HE2      GLN   9  -3.970   1.024  -9.122
   53   HE22  GLN   9          2HE2      GLN   9  -4.193  -0.606  -9.601
   54    H    ARG  10           H        ARG  10  -8.168   3.297  -4.613
   55    HA   ARG  10           HA       ARG  10  -9.350   2.544  -2.818
   56    HB2  ARG  10           2HB      ARG  10 -11.587   3.715  -4.509
   57    HB3  ARG  10           1HB      ARG  10 -11.721   3.336  -2.804
   58    HG2  ARG  10           2HG      ARG  10  -9.805   4.900  -2.389
   59    HG3  ARG  10           1HG      ARG  10  -9.882   5.324  -4.081
   60    HD2  ARG  10           2HD      ARG  10 -12.163   5.652  -2.154
   61    HD3  ARG  10           1HD      ARG  10 -11.045   6.925  -2.617
   62    HE   ARG  10           HE       ARG  10 -12.610   5.578  -4.686
   63   HH11  ARG  10          1HH1      ARG  10 -12.007   8.482  -2.757
   64   HH12  ARG  10          2HH1      ARG  10 -12.929   9.501  -3.763
   65   HH21  ARG  10          1HH2      ARG  10 -13.856   6.952  -6.006
   66   HH22  ARG  10          2HH2      ARG  10 -14.022   8.611  -5.667
   67    HA   PRO  11           HA       PRO  11 -11.107  -1.411  -4.700
   68    HB2  PRO  11           2HB      PRO  11  -8.670  -2.807  -3.939
   69    HB3  PRO  11           1HB      PRO  11  -9.415  -2.707  -5.539
   70    HG2  PRO  11           2HG      PRO  11  -7.049  -1.499  -4.906
   71    HG3  PRO  11           1HG      PRO  11  -8.178  -0.833  -6.109
   72    HD2  PRO  11           2HD      PRO  11  -7.777  -0.075  -3.232
   73    HD3  PRO  11           1HD      PRO  11  -7.978   0.968  -4.654
   74    H    CYS  12           H        CYS  12 -12.347  -2.494  -3.330
   75    HA   CYS  12           HA       CYS  12 -11.367  -3.051  -0.640
   76    HB2  CYS  12           2HB      CYS  12 -13.151  -1.341  -0.651
   77    HB3  CYS  12           1HB      CYS  12 -14.192  -2.412  -1.574
   78    HG   CYS  12           HG       CYS  12 -13.385  -2.532   1.728
   79    H    LYS  13           H        LYS  13 -10.971  -5.170  -0.461
   80    HA   LYS  13           HA       LYS  13 -12.895  -7.082  -1.400
   81    HB2  LYS  13           2HB      LYS  13  -9.955  -7.303  -2.131
   82    HB3  LYS  13           1HB      LYS  13 -11.146  -8.580  -2.321
   83    HG2  LYS  13           2HG      LYS  13 -12.349  -7.143  -3.937
   84    HG3  LYS  13           1HG      LYS  13 -11.054  -5.950  -3.792
   85    HD2  LYS  13           2HD      LYS  13  -9.432  -7.588  -4.614
   86    HD3  LYS  13           1HD      LYS  13 -10.682  -8.815  -4.703
   87    HE2  LYS  13           2HE      LYS  13 -11.891  -7.426  -6.326
   88    HE3  LYS  13           1HE      LYS  13 -10.571  -6.256  -6.294
   89    HZ1  LYS  13           3HZ      LYS  13 -10.365  -7.746  -8.180
   90    HZ2  LYS  13           1HZ      LYS  13 -10.391  -9.091  -7.160
   91    HZ3  LYS  13           2HZ      LYS  13  -9.090  -8.039  -7.112
   92    H    ASP  14           H        ASP  14 -12.627  -9.137  -0.334
   93    HA   ASP  14           HA       ASP  14 -11.700  -8.855   2.358
   94    HB2  ASP  14           2HB      ASP  14 -12.830 -11.274   0.916
   95    HB3  ASP  14           1HB      ASP  14 -12.402 -11.236   2.625
   96    H    LYS  15           H        LYS  15 -10.216  -9.647  -0.475
   97    HA   LYS  15           HA       LYS  15  -8.010 -10.884   0.978
   98    HB2  LYS  15           2HB      LYS  15  -8.788 -11.542  -1.863
   99    HB3  LYS  15           1HB      LYS  15  -7.337 -12.117  -1.057
  100    HG2  LYS  15           2HG      LYS  15  -8.828 -13.293   0.575
  101    HG3  LYS  15           1HG      LYS  15 -10.194 -12.877  -0.467
  102    HD2  LYS  15           2HD      LYS  15  -9.100 -13.996  -2.349
  103    HD3  LYS  15           1HD      LYS  15  -7.737 -14.414  -1.324
  104    HE2  LYS  15           2HE      LYS  15  -9.123 -16.341  -1.481
  105    HE3  LYS  15           1HE      LYS  15  -9.368 -15.676   0.130
  106    HZ1  LYS  15           3HZ      LYS  15 -11.451 -14.616  -0.758
  107    HZ2  LYS  15           1HZ      LYS  15 -11.446 -16.311  -0.841
  108    HZ3  LYS  15           2HZ      LYS  15 -11.153 -15.406  -2.211
  109    H    VAL  16           H        VAL  16  -7.179  -8.811   1.285
  110    HA   VAL  16           HA       VAL  16  -5.241  -8.167  -0.590
  111    HB   VAL  16           HB       VAL  16  -7.024  -7.072  -1.905
  112   HG11  VAL  16          1HG1      VAL  16  -8.659  -6.635  -0.212
  113   HG12  VAL  16          2HG1      VAL  16  -8.225  -5.086  -0.976
  114   HG13  VAL  16          3HG1      VAL  16  -7.501  -5.579   0.583
  115   HG21  VAL  16          3HG2      VAL  16  -5.255  -5.063  -0.530
  116   HG22  VAL  16          1HG2      VAL  16  -6.064  -4.805  -2.077
  117   HG23  VAL  16          2HG2      VAL  16  -4.805  -6.041  -1.917
  118    H    ASP  17           H        ASP  17  -3.983  -8.288   1.014
  119    HA   ASP  17           HA       ASP  17  -4.106  -6.725   3.354
  120    HB2  ASP  17           2HB      ASP  17  -1.788  -8.199   2.116
  121    HB3  ASP  17           1HB      ASP  17  -1.668  -7.356   3.665
  122    H    TRP  18           H        TRP  18  -2.919  -5.018   4.051
  123    HA   TRP  18           HA       TRP  18  -2.417  -3.002   1.976
  124    HB2  TRP  18           2HB      TRP  18  -3.285  -2.721   4.867
  125    HB3  TRP  18           1HB      TRP  18  -2.967  -1.379   3.785
  126    HD1  TRP  18           HD       TRP  18  -5.170  -4.569   3.329
  127    HE1  TRP  18           1HE      TRP  18  -7.478  -3.868   2.588
  128    HE3  TRP  18           3HE      TRP  18  -4.483   0.481   3.488
  129    HZ2  TRP  18           2HZ      TRP  18  -8.912  -1.402   2.182
  130    HZ3  TRP  18           3HZ      TRP  18  -6.362   1.943   2.928
  131    HH2  TRP  18           HH       TRP  18  -8.538   1.025   2.291
  132    H    VAL  19           H        VAL  19  -0.653  -1.343   2.550
  133    HA   VAL  19           HA       VAL  19   1.323  -2.547   4.294
  134    HB   VAL  19           HB       VAL  19   3.084  -1.700   2.708
  135   HG11  VAL  19          1HG1      VAL  19   2.452  -4.077   2.658
  136   HG12  VAL  19          2HG1      VAL  19   2.853  -3.474   1.056
  137   HG13  VAL  19          3HG1      VAL  19   1.160  -3.682   1.527
  138   HG21  VAL  19          3HG2      VAL  19   2.452  -1.158   0.393
  139   HG22  VAL  19          1HG2      VAL  19   1.729  -0.032   1.543
  140   HG23  VAL  19          2HG2      VAL  19   0.752  -1.313   0.828
  141    H    GLN  20           H        GLN  20   2.195  -1.158   5.731
  142    HA   GLN  20           HA       GLN  20   1.391   1.637   5.551
  143    HB2  GLN  20           2HB      GLN  20   0.872   0.507   7.667
  144    HB3  GLN  20           1HB      GLN  20   2.530  -0.014   7.855
  145    HG2  GLN  20           2HG      GLN  20   3.265   2.283   8.121
  146    HG3  GLN  20           1HG      GLN  20   1.633   2.876   7.847
  147   HE21  GLN  20          1HE2      GLN  20   3.391   3.346  10.124
  148   HE22  GLN  20          2HE2      GLN  20   2.575   2.756  11.510
  149    H    CYS  21           H        CYS  21   2.983   3.207   5.252
  150    HA   CYS  21           HA       CYS  21   5.646   2.135   4.742
  151    HB2  CYS  21           2HB      CYS  21   6.270   4.334   3.776
  152    HB3  CYS  21           1HB      CYS  21   4.766   3.786   3.108
  153    H    ASP  22           H        ASP  22   6.832   1.728   6.342
  154    HA   ASP  22           HA       ASP  22   6.622   3.212   8.803
  155    HB2  ASP  22           2HB      ASP  22   8.146   0.733   8.020
  156    HB3  ASP  22           1HB      ASP  22   8.469   1.524   9.556
  157    H    GLY  23           H        GLY  23   7.813   4.269   6.267
  158    HA2  GLY  23           2HA      GLY  23  10.588   4.765   6.983
  159    HA3  GLY  23           1HA      GLY  23   9.806   5.282   5.501
  160    H    GLY  24           H        GLY  24   7.598   6.149   7.724
  161    HA2  GLY  24           2HA      GLY  24   8.249   8.081   9.386
  162    HA3  GLY  24           1HA      GLY  24   8.749   8.869   7.913
  163    H    CYS  25           H        CYS  25   6.031   7.467   6.763
  164    HA   CYS  25           HA       CYS  25   4.452   9.836   7.530
  165    HB2  CYS  25           2HB      CYS  25   3.612   7.743   5.522
  166    HB3  CYS  25           1HB      CYS  25   2.983   9.366   5.687
  167    H    ASP  26           H        ASP  26   4.571   6.455   7.999
  168    HA   ASP  26           HA       ASP  26   3.313   4.878   9.128
  169    HB2  ASP  26           2HB      ASP  26   2.043   7.270  10.519
  170    HB3  ASP  26           1HB      ASP  26   1.862   5.605  10.988
  171    H    GLU  27           H        GLU  27   2.218   6.284   6.661
  172    HA   GLU  27           HA       GLU  27  -0.614   5.890   7.102
  173    HB2  GLU  27           2HB      GLU  27   0.843   7.085   4.750
  174    HB3  GLU  27           1HB      GLU  27  -0.900   6.914   4.816
  175    HG2  GLU  27           2HG      GLU  27  -0.871   8.308   6.895
  176    HG3  GLU  27           1HG      GLU  27   0.856   8.551   6.640
  177    H    TRP  28           H        TRP  28  -1.876   4.864   5.470
  178    HA   TRP  28           HA       TRP  28  -0.692   2.239   4.870
  179    HB2  TRP  28           2HB      TRP  28  -3.527   2.974   5.580
  180    HB3  TRP  28           1HB      TRP  28  -3.077   1.390   4.988
  181    HD1  TRP  28           HD       TRP  28  -2.580   3.657   8.066
  182    HE1  TRP  28           1HE      TRP  28  -1.829   2.181  10.025
  183    HE3  TRP  28           3HE      TRP  28  -1.989  -0.754   5.572
  184    HZ2  TRP  28           2HZ      TRP  28  -1.099  -0.515  10.473
  185    HZ3  TRP  28           3HZ      TRP  28  -1.255  -2.750   6.847
  186    HH2  TRP  28           HH       TRP  28  -0.829  -2.625   9.235
  187    H    PHE  29           H        PHE  29  -0.540   1.614   2.929
  188    HA   PHE  29           HA       PHE  29  -2.033   2.977   0.752
  189    HB2  PHE  29           2HB      PHE  29   0.689   1.594   0.481
  190    HB3  PHE  29           1HB      PHE  29  -0.124   2.628  -0.657
  191    HD1  PHE  29           1HD      PHE  29   1.137   2.816   2.836
  192    HD2  PHE  29           2HD      PHE  29   0.702   4.800  -0.906
  193    HE1  PHE  29           1HE      PHE  29   2.418   4.689   3.683
  194    HE2  PHE  29           2HE      PHE  29   1.997   6.686  -0.040
  195    HZ   PHE  29           HZ       PHE  29   2.855   6.611   2.311
  196    H    HIS  30           H        HIS  30  -2.551   1.585  -1.061
  197    HA   HIS  30           HA       HIS  30  -3.094  -1.241  -0.366
  198    HB2  HIS  30           2HB      HIS  30  -3.940   0.607  -2.497
  199    HB3  HIS  30           1HB      HIS  30  -4.161  -1.032  -2.892
  200    HD2  HIS  30           2HD      HIS  30  -6.140  -2.171  -0.864
  201    HE1  HIS  30           1HE      HIS  30  -8.027   1.623  -0.732
  202    HE2  HIS  30           2HE      HIS  30  -8.342  -0.884  -0.629
  203    H    GLN  31           H        GLN  31  -2.045  -2.844  -1.346
  204    HA   GLN  31           HA       GLN  31   0.397  -2.362  -2.581
  205    HB2  GLN  31           2HB      GLN  31  -1.239  -4.902  -2.620
  206    HB3  GLN  31           1HB      GLN  31   0.362  -4.768  -3.329
  207    HG2  GLN  31           2HG      GLN  31   1.327  -4.221  -1.201
  208    HG3  GLN  31           1HG      GLN  31  -0.246  -4.231  -0.430
  209   HE21  GLN  31          1HE2      GLN  31  -1.188  -6.220   0.042
  210   HE22  GLN  31          2HE2      GLN  31  -0.353  -7.707  -0.098
  211    H    VAL  32           H        VAL  32  -2.698  -3.020  -4.132
  212    HA   VAL  32           HA       VAL  32  -1.536  -3.031  -6.745
  213    HB   VAL  32           HB       VAL  32  -3.671  -4.183  -6.356
  214   HG11  VAL  32          1HG1      VAL  32  -4.698  -1.424  -6.027
  215   HG12  VAL  32          2HG1      VAL  32  -4.533  -2.573  -4.711
  216   HG13  VAL  32          3HG1      VAL  32  -5.744  -2.852  -6.010
  217   HG21  VAL  32          3HG2      VAL  32  -3.135  -3.361  -8.603
  218   HG22  VAL  32          1HG2      VAL  32  -3.958  -1.857  -8.190
  219   HG23  VAL  32          2HG2      VAL  32  -4.882  -3.375  -8.280
  220    H    CYS  33           H        CYS  33  -3.058  -0.637  -4.851
  221    HA   CYS  33           HA       CYS  33  -3.284   1.312  -6.992
  222    HB2  CYS  33           2HB      CYS  33  -4.342   2.808  -5.513
  223    HB3  CYS  33           1HB      CYS  33  -4.845   1.255  -4.952
  224    H    VAL  34           H        VAL  34  -0.798   0.755  -4.518
  225    HA   VAL  34           HA       VAL  34   0.545   3.047  -5.626
  226    HB   VAL  34           HB       VAL  34   0.197   2.385  -3.018
  227   HG11  VAL  34          1HG1      VAL  34   1.920   1.347  -1.972
  228   HG12  VAL  34          2HG1      VAL  34   2.676   1.019  -3.521
  229   HG13  VAL  34          3HG1      VAL  34   1.123   0.271  -3.131
  230   HG21  VAL  34          3HG2      VAL  34   1.999   3.769  -2.491
  231   HG22  VAL  34          1HG2      VAL  34   1.098   4.367  -3.881
  232   HG23  VAL  34          2HG2      VAL  34   2.678   3.571  -4.151
  233    H    GLY  35           H        GLY  35   0.241   0.102  -6.599
  234    HA2  GLY  35           2HA      GLY  35   1.523  -1.513  -7.716
  235    HA3  GLY  35           1HA      GLY  35   2.657  -0.230  -7.980
  236    H    VAL  36           H        VAL  36   1.706  -2.561  -5.337
  237    HA   VAL  36           HA       VAL  36   4.510  -3.108  -4.867
  238    HB   VAL  36           HB       VAL  36   2.131  -3.088  -2.975
  239   HG11  VAL  36          1HG1      VAL  36   4.969  -3.962  -2.368
  240   HG12  VAL  36          2HG1      VAL  36   3.525  -4.964  -2.474
  241   HG13  VAL  36          3HG1      VAL  36   3.655  -3.778  -1.180
  242   HG21  VAL  36          3HG2      VAL  36   4.607  -1.384  -3.012
  243   HG22  VAL  36          1HG2      VAL  36   3.456  -1.456  -1.685
  244   HG23  VAL  36          2HG2      VAL  36   2.918  -0.892  -3.247
  245    H    SER  37           H        SER  37   4.853  -5.511  -4.592
  246    HA   SER  37           HA       SER  37   2.610  -7.039  -5.526
  247    HB2  SER  37           2HB      SER  37   4.422  -8.705  -5.918
  248    HB3  SER  37           1HB      SER  37   4.609  -7.218  -6.849
  249    HG   SER  37           HG       SER  37   6.411  -6.858  -5.896
  250    HA   PRO  38           HA       PRO  38   2.037  -8.745  -1.398
  251    HB2  PRO  38           2HB      PRO  38   2.305 -11.427  -2.700
  252    HB3  PRO  38           1HB      PRO  38   1.065 -10.842  -1.593
  253    HG2  PRO  38           2HG      PRO  38   0.571 -11.002  -4.171
  254    HG3  PRO  38           1HG      PRO  38  -0.028  -9.623  -3.243
  255    HD2  PRO  38           2HD      PRO  38   2.228  -9.765  -5.203
  256    HD3  PRO  38           1HD      PRO  38   1.116  -8.431  -4.853
  257    H    GLU  39           H        GLU  39   4.679  -9.721  -3.429
  258    HA   GLU  39           HA       GLU  39   6.253 -11.209  -1.516
  259    HB2  GLU  39           2HB      GLU  39   6.248 -11.526  -4.029
  260    HB3  GLU  39           1HB      GLU  39   6.979  -9.933  -4.157
  261    HG2  GLU  39           2HG      GLU  39   8.947 -10.696  -3.041
  262    HG3  GLU  39           1HG      GLU  39   8.231 -12.291  -2.745
  263    H    MET  40           H        MET  40   6.026  -7.848  -2.640
  264    HA   MET  40           HA       MET  40   8.438  -7.188  -1.250
  265    HB2  MET  40           2HB      MET  40   7.475  -5.765  -3.246
  266    HB3  MET  40           1HB      MET  40   6.324  -5.279  -2.094
  267    HG2  MET  40           2HG      MET  40   7.647  -4.092  -0.747
  268    HG3  MET  40           1HG      MET  40   9.131  -4.922  -1.231
  269    HE1  MET  40           3HE      MET  40   6.431  -3.291  -3.616
  270    HE2  MET  40           1HE      MET  40   7.076  -1.658  -3.803
  271    HE3  MET  40           2HE      MET  40   6.480  -2.183  -2.224
  272    H    ALA  41           H        ALA  41   5.071  -7.051  -0.631
  273    HA   ALA  41           HA       ALA  41   4.990  -5.517   1.679
  274    HB1  ALA  41           1HB      ALA  41   2.869  -6.612   2.172
  275    HB2  ALA  41           2HB      ALA  41   3.233  -7.873   0.994
  276    HB3  ALA  41           3HB      ALA  41   2.987  -6.219   0.463
  277    H    GLU  42           H        GLU  42   5.370  -8.997   1.452
  278    HA   GLU  42           HA       GLU  42   5.767  -9.086   4.365
  279    HB2  GLU  42           2HB      GLU  42   5.645 -11.409   2.464
  280    HB3  GLU  42           1HB      GLU  42   5.720 -11.537   4.202
  281    HG2  GLU  42           2HG      GLU  42   3.556 -10.294   4.328
  282    HG3  GLU  42           1HG      GLU  42   3.468 -10.388   2.566
  283    H    ASN  43           H        ASN  43   7.774  -9.004   1.600
  284    HA   ASN  43           HA       ASN  43   9.852 -10.400   3.063
  285    HB2  ASN  43           2HB      ASN  43   9.595  -9.885   0.108
  286    HB3  ASN  43           1HB      ASN  43  10.962 -10.683   0.874
  287   HD21  ASN  43          1HD2      ASN  43  10.705 -12.759   1.603
  288   HD22  ASN  43          2HD2      ASN  43   9.349 -13.751   1.251
  289    H    GLU  44           H        GLU  44   9.037  -7.213   1.997
  290    HA   GLU  44           HA       GLU  44  11.621  -6.337   3.034
  291    HB2  GLU  44           2HB      GLU  44  10.473  -5.234   0.461
  292    HB3  GLU  44           1HB      GLU  44  11.831  -4.540   1.324
  293    HG2  GLU  44           2HG      GLU  44  13.038  -6.704   0.978
  294    HG3  GLU  44           1HG      GLU  44  11.713  -7.200  -0.068
  295    H    ASP  45           H        ASP  45  11.610  -3.842   3.142
  296    HA   ASP  45           HA       ASP  45   9.297  -3.050   4.719
  297    HB2  ASP  45           2HB      ASP  45  11.438  -2.728   5.728
  298    HB3  ASP  45           1HB      ASP  45  12.029  -1.854   4.310
  299    H    TYR  46           H        TYR  46   7.749  -1.890   3.890
  300    HA   TYR  46           HA       TYR  46   8.004  -0.721   1.285
  301    HB2  TYR  46           2HB      TYR  46   5.836  -1.702   1.701
  302    HB3  TYR  46           1HB      TYR  46   5.605  -0.682   3.136
  303    HD1  TYR  46           1HD      TYR  46   5.718  -0.744  -0.557
  304    HD2  TYR  46           2HD      TYR  46   4.843   1.538   2.903
  305    HE1  TYR  46           1HE      TYR  46   4.594   1.040  -1.958
  306    HE2  TYR  46           2HE      TYR  46   3.751   3.254   1.476
  307    HH   TYR  46           HH       TYR  46   2.969   2.726  -1.669
  308    H    ILE  47           H        ILE  47   9.135   0.805   1.104
  309    HA   ILE  47           HA       ILE  47   8.808   3.350   2.595
  310    HB   ILE  47           HB       ILE  47  10.666   2.775   0.241
  311   HG12  ILE  47          2HG1      ILE  47  11.287   1.402   2.204
  312   HG13  ILE  47          1HG1      ILE  47  12.502   2.617   1.860
  313   HG21  ILE  47          1HG2      ILE  47  10.181   5.156   0.511
  314   HG22  ILE  47          2HG2      ILE  47  11.847   4.805   1.015
  315   HG23  ILE  47          3HG2      ILE  47  10.567   5.003   2.231
  316   HD11  ILE  47          3HD1      ILE  47  10.395   2.824   4.010
  317   HD12  ILE  47          1HD1      ILE  47  11.627   4.032   3.657
  318   HD13  ILE  47          2HD1      ILE  47  12.101   2.440   4.258
  319    H    CYS  48           H        CYS  48   7.656   5.267   1.572
  320    HA   CYS  48           HA       CYS  48   6.252   4.399  -0.785
  321    HB2  CYS  48           2HB      CYS  48   4.572   5.933  -0.215
  322    HB3  CYS  48           1HB      CYS  48   4.979   5.177   1.301
  323    H    ILE  49           H        ILE  49   5.736   6.370  -2.149
  324    HA   ILE  49           HA       ILE  49   8.052   7.448  -3.251
  325    HB   ILE  49           HB       ILE  49   6.009   7.252  -4.530
  326   HG12  ILE  49          2HG1      ILE  49   6.815  10.119  -4.280
  327   HG13  ILE  49          1HG1      ILE  49   7.760   8.896  -5.138
  328   HG21  ILE  49          1HG2      ILE  49   4.353   7.778  -2.851
  329   HG22  ILE  49          2HG2      ILE  49   4.138   8.800  -4.277
  330   HG23  ILE  49          3HG2      ILE  49   4.890   9.468  -2.834
  331   HD11  ILE  49          3HD1      ILE  49   6.478  10.222  -6.714
  332   HD12  ILE  49          1HD1      ILE  49   4.981   9.810  -5.838
  333   HD13  ILE  49          2HD1      ILE  49   5.904   8.532  -6.622
  334    H    ASN  50           H        ASN  50   5.945   8.846  -0.804
  335    HA   ASN  50           HA       ASN  50   7.263  11.386  -0.784
  336    HB2  ASN  50           2HB      ASN  50   5.327  10.144   1.192
  337    HB3  ASN  50           1HB      ASN  50   5.940  11.789   1.329
  338   HD21  ASN  50          1HD2      ASN  50   5.176  13.349  -0.121
  339   HD22  ASN  50          2HD2      ASN  50   3.793  13.071  -1.107
  340    H    CYS  51           H        CYS  51   7.616   8.376   0.887
  341    HA   CYS  51           HA       CYS  51   9.508   9.371   2.838
  342    HB2  CYS  51           2HB      CYS  51   8.702   6.572   2.046
  343    HB3  CYS  51           1HB      CYS  51  10.059   6.835   3.109
  344    H    ALA  52           H        ALA  52   9.632   8.192  -0.346
  345    HA   ALA  52           HA       ALA  52  12.466   7.531  -0.294
  346    HB1  ALA  52           3HB      ALA  52  10.529   7.577  -2.608
  347    HB2  ALA  52           1HB      ALA  52  10.943   6.161  -1.639
  348    HB3  ALA  52           2HB      ALA  52  12.162   6.916  -2.677
  Start of MODEL    8
    1    HA   SER   1           HA       SER   1 -12.581   4.424   3.176
    2    HB2  SER   1           2HB      SER   1 -13.715   7.150   2.417
    3    HB3  SER   1           1HB      SER   1 -14.288   5.596   1.800
    4    HG   SER   1           HG       SER   1 -14.324   5.349   4.379
    5    H    VAL   2           H        VAL   2 -10.364   6.867   2.823
    6    HA   VAL   2           HA       VAL   2  -9.548   5.886   0.173
    7    HB   VAL   2           HB       VAL   2  -9.205   8.782   1.026
    8   HG11  VAL   2          1HG1      VAL   2  -8.913   7.449  -1.654
    9   HG12  VAL   2          2HG1      VAL   2  -7.591   7.916  -0.607
   10   HG13  VAL   2          3HG1      VAL   2  -8.634   9.156  -1.325
   11   HG21  VAL   2          3HG2      VAL   2 -11.597   8.352   0.746
   12   HG22  VAL   2          1HG2      VAL   2 -11.307   7.684  -0.851
   13   HG23  VAL   2          2HG2      VAL   2 -10.995   9.396  -0.552
   14    H    CYS   3           H        CYS   3  -7.450   5.227   0.162
   15    HA   CYS   3           HA       CYS   3  -5.970   5.393   2.646
   16    HB2  CYS   3           2HB      CYS   3  -4.838   3.534   1.846
   17    HB3  CYS   3           1HB      CYS   3  -6.325   3.390   0.898
   18    H    ALA   4           H        ALA   4  -3.374   5.475   1.897
   19    HA   ALA   4           HA       ALA   4  -3.058   8.076   0.627
   20    HB1  ALA   4           1HB      ALA   4  -1.040   6.312   2.045
   21    HB2  ALA   4           2HB      ALA   4  -1.880   7.686   2.752
   22    HB3  ALA   4           3HB      ALA   4  -0.730   7.936   1.451
   23    H    ALA   5           H        ALA   5  -2.812   8.006  -1.540
   24    HA   ALA   5           HA       ALA   5  -0.533   6.930  -2.771
   25    HB1  ALA   5           1HB      ALA   5  -1.622   5.340  -4.393
   26    HB2  ALA   5           2HB      ALA   5  -3.144   5.542  -3.561
   27    HB3  ALA   5           3HB      ALA   5  -1.783   4.780  -2.744
   28    H    GLN   6           H        GLN   6  -0.105   8.317  -4.444
   29    HA   GLN   6           HA       GLN   6  -1.569  10.529  -5.043
   30    HB2  GLN   6           2HB      GLN   6   0.295   8.977  -6.875
   31    HB3  GLN   6           1HB      GLN   6  -0.238  10.625  -7.169
   32    HG2  GLN   6           2HG      GLN   6   0.934  11.318  -5.168
   33    HG3  GLN   6           1HG      GLN   6   1.365   9.628  -4.847
   34   HE21  GLN   6          1HE2      GLN   6   1.951  12.365  -6.907
   35   HE22  GLN   6          2HE2      GLN   6   3.371  11.701  -7.639
   36    H    ASN   7           H        ASN   7  -1.672   7.487  -6.701
   37    HA   ASN   7           HA       ASN   7  -4.340   8.237  -7.700
   38    HB2  ASN   7           2HB      ASN   7  -2.793   8.082  -9.613
   39    HB3  ASN   7           1HB      ASN   7  -2.361   6.439  -9.170
   40   HD21  ASN   7          1HD2      ASN   7  -4.823   8.491 -10.505
   41   HD22  ASN   7          2HD2      ASN   7  -5.811   7.241 -11.168
   42    H    CYS   8           H        CYS   8  -5.548   7.320  -6.148
   43    HA   CYS   8           HA       CYS   8  -4.966   4.559  -5.593
   44    HB2  CYS   8           2HB      CYS   8  -5.258   5.953  -3.540
   45    HB3  CYS   8           1HB      CYS   8  -6.832   6.419  -4.106
   46    H    GLN   9           H        GLN   9  -6.021   3.101  -6.567
   47    HA   GLN   9           HA       GLN   9  -8.273   3.441  -8.294
   48    HB2  GLN   9           2HB      GLN   9  -7.131   0.937  -7.079
   49    HB3  GLN   9           1HB      GLN   9  -8.164   0.992  -8.499
   50    HG2  GLN   9           2HG      GLN   9  -6.413   2.207  -9.712
   51    HG3  GLN   9           1HG      GLN   9  -5.401   2.160  -8.274
   52   HE21  GLN   9          1HE2      GLN   9  -3.773   0.995  -9.232
   53   HE22  GLN   9          2HE2      GLN   9  -3.942  -0.657  -9.690
   54    H    ARG  10           H        ARG  10  -8.038   3.349  -5.043
   55    HA   ARG  10           HA       ARG  10  -9.154   2.657  -3.244
   56    HB2  ARG  10           2HB      ARG  10 -10.010   4.824  -3.849
   57    HB3  ARG  10           1HB      ARG  10 -11.252   4.112  -4.849
   58    HG2  ARG  10           2HG      ARG  10 -12.490   3.414  -2.976
   59    HG3  ARG  10           1HG      ARG  10 -11.126   3.669  -1.870
   60    HD2  ARG  10           2HD      ARG  10 -12.757   5.475  -1.694
   61    HD3  ARG  10           1HD      ARG  10 -11.214   6.039  -2.257
   62    HE   ARG  10           HE       ARG  10 -13.478   5.588  -4.081
   63   HH11  ARG  10          1HH1      ARG  10 -10.651   7.543  -3.102
   64   HH12  ARG  10          2HH1      ARG  10 -10.889   8.731  -4.297
   65   HH21  ARG  10          1HH2      ARG  10 -13.762   7.267  -5.717
   66   HH22  ARG  10          2HH2      ARG  10 -12.709   8.579  -5.795
   67    HA   PRO  11           HA       PRO  11 -11.307  -1.183  -4.761
   68    HB2  PRO  11           2HB      PRO  11  -8.951  -2.654  -4.054
   69    HB3  PRO  11           1HB      PRO  11  -9.689  -2.526  -5.675
   70    HG2  PRO  11           2HG      PRO  11  -7.251  -1.489  -5.057
   71    HG3  PRO  11           1HG      PRO  11  -8.353  -0.703  -6.201
   72    HD2  PRO  11           2HD      PRO  11  -7.948  -0.100  -3.283
   73    HD3  PRO  11           1HD      PRO  11  -7.966   1.023  -4.665
   74    H    CYS  12           H        CYS  12 -12.342  -2.553  -3.352
   75    HA   CYS  12           HA       CYS  12 -11.243  -2.886  -0.661
   76    HB2  CYS  12           2HB      CYS  12 -14.166  -2.609  -1.431
   77    HB3  CYS  12           1HB      CYS  12 -13.532  -2.820   0.194
   78    HG   CYS  12           HG       CYS  12 -13.947  -0.082  -1.602
   79    H    LYS  13           H        LYS  13 -10.933  -5.029  -0.217
   80    HA   LYS  13           HA       LYS  13 -12.743  -6.989  -1.330
   81    HB2  LYS  13           2HB      LYS  13  -9.730  -7.276  -1.480
   82    HB3  LYS  13           1HB      LYS  13 -10.893  -8.524  -1.805
   83    HG2  LYS  13           2HG      LYS  13 -11.717  -7.218  -3.721
   84    HG3  LYS  13           1HG      LYS  13 -10.444  -6.027  -3.408
   85    HD2  LYS  13           2HD      LYS  13  -8.727  -7.734  -3.649
   86    HD3  LYS  13           1HD      LYS  13  -9.953  -8.962  -3.920
   87    HE2  LYS  13           2HE      LYS  13 -10.619  -7.782  -5.973
   88    HE3  LYS  13           1HE      LYS  13  -9.324  -6.612  -5.697
   89    HZ1  LYS  13           3HZ      LYS  13  -7.722  -8.463  -5.788
   90    HZ2  LYS  13           1HZ      LYS  13  -8.548  -8.301  -7.230
   91    HZ3  LYS  13           2HZ      LYS  13  -8.935  -9.538  -6.163
   92    H    ASP  14           H        ASP  14 -12.560  -9.015  -0.180
   93    HA   ASP  14           HA       ASP  14 -11.903  -8.692   2.630
   94    HB2  ASP  14           2HB      ASP  14 -12.913 -11.106   1.109
   95    HB3  ASP  14           1HB      ASP  14 -12.722 -11.055   2.852
   96    H    LYS  15           H        LYS  15 -10.383  -9.512  -0.165
   97    HA   LYS  15           HA       LYS  15  -8.217 -10.873   1.257
   98    HB2  LYS  15           2HB      LYS  15  -9.192 -11.522  -1.556
   99    HB3  LYS  15           1HB      LYS  15  -7.783 -12.228  -0.810
  100    HG2  LYS  15           2HG      LYS  15  -9.202 -13.305   0.873
  101    HG3  LYS  15           1HG      LYS  15 -10.627 -12.544   0.166
  102    HD2  LYS  15           2HD      LYS  15 -10.215 -13.740  -1.956
  103    HD3  LYS  15           1HD      LYS  15  -8.813 -14.543  -1.230
  104    HE2  LYS  15           2HE      LYS  15 -10.283 -15.583   0.424
  105    HE3  LYS  15           1HE      LYS  15 -11.658 -14.740  -0.274
  106    HZ1  LYS  15           3HZ      LYS  15 -11.249 -15.957  -2.368
  107    HZ2  LYS  15           1HZ      LYS  15 -11.584 -17.022  -1.107
  108    HZ3  LYS  15           2HZ      LYS  15 -10.015 -16.806  -1.652
  109    H    VAL  16           H        VAL  16  -7.235  -8.795   1.447
  110    HA   VAL  16           HA       VAL  16  -5.362  -8.271  -0.550
  111    HB   VAL  16           HB       VAL  16  -7.149  -7.102  -1.772
  112   HG11  VAL  16          1HG1      VAL  16  -8.237  -5.082  -0.830
  113   HG12  VAL  16          2HG1      VAL  16  -7.351  -5.421   0.673
  114   HG13  VAL  16          3HG1      VAL  16  -8.584  -6.539   0.140
  115   HG21  VAL  16          3HG2      VAL  16  -4.866  -6.180  -1.925
  116   HG22  VAL  16          1HG2      VAL  16  -5.203  -5.172  -0.520
  117   HG23  VAL  16          2HG2      VAL  16  -6.076  -4.897  -2.027
  118    H    ASP  17           H        ASP  17  -3.864  -8.224   0.859
  119    HA   ASP  17           HA       ASP  17  -3.848  -6.803   3.313
  120    HB2  ASP  17           2HB      ASP  17  -1.494  -7.832   1.733
  121    HB3  ASP  17           1HB      ASP  17  -1.454  -7.394   3.438
  122    H    TRP  18           H        TRP  18  -2.801  -4.968   3.927
  123    HA   TRP  18           HA       TRP  18  -2.364  -2.936   1.841
  124    HB2  TRP  18           2HB      TRP  18  -3.178  -2.622   4.762
  125    HB3  TRP  18           1HB      TRP  18  -2.887  -1.315   3.625
  126    HD1  TRP  18           HD       TRP  18  -5.096  -4.488   3.167
  127    HE1  TRP  18           1HE      TRP  18  -7.453  -3.745   2.535
  128    HE3  TRP  18           3HE      TRP  18  -4.424   0.565   3.459
  129    HZ2  TRP  18           2HZ      TRP  18  -8.888  -1.302   2.235
  130    HZ3  TRP  18           3HZ      TRP  18  -6.343   2.041   3.004
  131    HH2  TRP  18           HH       TRP  18  -8.522   1.129   2.403
  132    H    VAL  19           H        VAL  19  -0.602  -1.235   2.419
  133    HA   VAL  19           HA       VAL  19   1.437  -2.495   4.044
  134    HB   VAL  19           HB       VAL  19   3.152  -1.558   2.489
  135   HG11  VAL  19          1HG1      VAL  19   2.920  -3.227   0.732
  136   HG12  VAL  19          2HG1      VAL  19   1.242  -3.490   1.183
  137   HG13  VAL  19          3HG1      VAL  19   2.531  -3.906   2.315
  138   HG21  VAL  19          3HG2      VAL  19   1.826   0.185   1.422
  139   HG22  VAL  19          1HG2      VAL  19   0.801  -1.036   0.665
  140   HG23  VAL  19          2HG2      VAL  19   2.496  -0.901   0.204
  141    H    GLN  20           H        GLN  20   2.583  -1.163   5.289
  142    HA   GLN  20           HA       GLN  20   1.720   1.652   5.399
  143    HB2  GLN  20           2HB      GLN  20   1.160   0.278   7.390
  144    HB3  GLN  20           1HB      GLN  20   2.880  -0.044   7.612
  145    HG2  GLN  20           2HG      GLN  20   3.273   2.335   7.986
  146    HG3  GLN  20           1HG      GLN  20   1.560   2.659   7.755
  147   HE21  GLN  20          1HE2      GLN  20   1.250   3.505   9.763
  148   HE22  GLN  20          2HE2      GLN  20   1.343   2.585  11.213
  149    H    CYS  21           H        CYS  21   3.254   3.216   5.361
  150    HA   CYS  21           HA       CYS  21   5.922   2.257   4.704
  151    HB2  CYS  21           2HB      CYS  21   6.435   4.616   3.995
  152    HB3  CYS  21           1HB      CYS  21   5.038   3.945   3.158
  153    H    ASP  22           H        ASP  22   7.173   1.783   6.226
  154    HA   ASP  22           HA       ASP  22   7.107   3.014   8.845
  155    HB2  ASP  22           2HB      ASP  22   8.833   0.853   7.639
  156    HB3  ASP  22           1HB      ASP  22   9.147   1.509   9.236
  157    H    GLY  23           H        GLY  23   7.801   4.667   6.654
  158    HA2  GLY  23           2HA      GLY  23  10.616   5.313   7.143
  159    HA3  GLY  23           1HA      GLY  23   9.651   5.994   5.838
  160    H    GLY  24           H        GLY  24   7.414   6.334   7.930
  161    HA2  GLY  24           2HA      GLY  24   7.675   7.814  10.050
  162    HA3  GLY  24           1HA      GLY  24   8.428   8.933   8.933
  163    H    CYS  25           H        CYS  25   5.885   7.530   7.230
  164    HA   CYS  25           HA       CYS  25   4.175   9.850   7.870
  165    HB2  CYS  25           2HB      CYS  25   3.602   7.738   5.785
  166    HB3  CYS  25           1HB      CYS  25   2.883   9.336   5.904
  167    H    ASP  26           H        ASP  26   4.348   6.431   8.221
  168    HA   ASP  26           HA       ASP  26   3.109   4.809   9.231
  169    HB2  ASP  26           2HB      ASP  26   1.780   7.161  10.618
  170    HB3  ASP  26           1HB      ASP  26   1.479   5.491  11.024
  171    H    GLU  27           H        GLU  27   2.071   6.261   6.744
  172    HA   GLU  27           HA       GLU  27  -0.790   5.945   6.949
  173    HB2  GLU  27           2HB      GLU  27   0.932   6.581   4.548
  174    HB3  GLU  27           1HB      GLU  27  -0.827   6.622   4.625
  175    HG2  GLU  27           2HG      GLU  27  -0.761   8.406   6.224
  176    HG3  GLU  27           1HG      GLU  27   0.997   8.360   6.274
  177    H    TRP  28           H        TRP  28  -1.961   4.747   5.375
  178    HA   TRP  28           HA       TRP  28  -0.715   2.155   4.819
  179    HB2  TRP  28           2HB      TRP  28  -3.582   2.709   5.637
  180    HB3  TRP  28           1HB      TRP  28  -3.033   1.164   5.010
  181    HD1  TRP  28           HD       TRP  28  -2.750   3.403   8.109
  182    HE1  TRP  28           1HE      TRP  28  -1.815   1.982  10.055
  183    HE3  TRP  28           3HE      TRP  28  -1.620  -0.874   5.530
  184    HZ2  TRP  28           2HZ      TRP  28  -0.745  -0.601  10.427
  185    HZ3  TRP  28           3HZ      TRP  28  -0.638  -2.754   6.736
  186    HH2  TRP  28           HH       TRP  28  -0.211  -2.633   9.139
  187    H    PHE  29           H        PHE  29  -0.629   1.550   2.859
  188    HA   PHE  29           HA       PHE  29  -2.099   3.017   0.738
  189    HB2  PHE  29           2HB      PHE  29   0.579   1.565   0.535
  190    HB3  PHE  29           1HB      PHE  29  -0.161   2.629  -0.647
  191    HD1  PHE  29           1HD      PHE  29   1.139   2.654   2.838
  192    HD2  PHE  29           2HD      PHE  29   0.608   4.875  -0.756
  193    HE1  PHE  29           1HE      PHE  29   2.445   4.494   3.775
  194    HE2  PHE  29           2HE      PHE  29   1.921   6.704   0.184
  195    HZ   PHE  29           HZ       PHE  29   2.845   6.519   2.457
  196    H    HIS  30           H        HIS  30  -2.710   1.687  -1.069
  197    HA   HIS  30           HA       HIS  30  -3.252  -1.149  -0.422
  198    HB2  HIS  30           2HB      HIS  30  -4.066   0.685  -2.618
  199    HB3  HIS  30           1HB      HIS  30  -4.333  -0.987  -2.905
  200    HD2  HIS  30           2HD      HIS  30  -6.320  -1.954  -0.800
  201    HE1  HIS  30           1HE      HIS  30  -8.159   1.852  -0.914
  202    HE2  HIS  30           2HE      HIS  30  -8.507  -0.605  -0.706
  203    H    GLN  31           H        GLN  31  -2.162  -2.786  -1.404
  204    HA   GLN  31           HA       GLN  31   0.278  -2.245  -2.579
  205    HB2  GLN  31           2HB      GLN  31  -1.350  -4.770  -2.617
  206    HB3  GLN  31           1HB      GLN  31   0.251  -4.659  -3.380
  207    HG2  GLN  31           2HG      GLN  31   1.227  -4.053  -1.232
  208    HG3  GLN  31           1HG      GLN  31  -0.350  -4.162  -0.472
  209   HE21  GLN  31          1HE2      GLN  31  -1.152  -6.129  -0.014
  210   HE22  GLN  31          2HE2      GLN  31  -0.297  -7.617  -0.135
  211    H    VAL  32           H        VAL  32  -2.725  -3.117  -4.262
  212    HA   VAL  32           HA       VAL  32  -1.514  -3.025  -6.814
  213    HB   VAL  32           HB       VAL  32  -3.662  -4.202  -6.441
  214   HG11  VAL  32          1HG1      VAL  32  -4.605  -2.639  -4.869
  215   HG12  VAL  32          2HG1      VAL  32  -5.737  -2.867  -6.238
  216   HG13  VAL  32          3HG1      VAL  32  -4.667  -1.435  -6.153
  217   HG21  VAL  32          3HG2      VAL  32  -3.889  -1.916  -8.300
  218   HG22  VAL  32          1HG2      VAL  32  -4.817  -3.415  -8.444
  219   HG23  VAL  32          2HG2      VAL  32  -3.052  -3.437  -8.691
  220    H    CYS  33           H        CYS  33  -3.045  -0.652  -4.931
  221    HA   CYS  33           HA       CYS  33  -3.210   1.352  -7.057
  222    HB2  CYS  33           2HB      CYS  33  -4.383   2.813  -5.615
  223    HB3  CYS  33           1HB      CYS  33  -4.843   1.259  -5.041
  224    H    VAL  34           H        VAL  34  -0.769   0.694  -4.558
  225    HA   VAL  34           HA       VAL  34   0.604   3.010  -5.584
  226    HB   VAL  34           HB       VAL  34   0.148   2.326  -2.993
  227   HG11  VAL  34          1HG1      VAL  34   1.911   1.406  -1.892
  228   HG12  VAL  34          2HG1      VAL  34   2.661   0.998  -3.428
  229   HG13  VAL  34          3HG1      VAL  34   1.087   0.286  -2.980
  230   HG21  VAL  34          3HG2      VAL  34   1.016   4.339  -3.826
  231   HG22  VAL  34          1HG2      VAL  34   2.635   3.642  -3.982
  232   HG23  VAL  34          2HG2      VAL  34   1.869   3.794  -2.369
  233    H    GLY  35           H        GLY  35   0.288   0.106  -6.593
  234    HA2  GLY  35           2HA      GLY  35   1.510  -1.374  -7.893
  235    HA3  GLY  35           1HA      GLY  35   2.722  -0.128  -7.980
  236    H    VAL  36           H        VAL  36   1.744  -1.947  -5.072
  237    HA   VAL  36           HA       VAL  36   4.450  -3.035  -4.795
  238    HB   VAL  36           HB       VAL  36   2.045  -3.076  -2.950
  239   HG11  VAL  36          1HG1      VAL  36   4.860  -4.068  -2.380
  240   HG12  VAL  36          2HG1      VAL  36   3.398  -5.004  -2.583
  241   HG13  VAL  36          3HG1      VAL  36   3.528  -3.922  -1.207
  242   HG21  VAL  36          3HG2      VAL  36   3.365  -1.518  -1.568
  243   HG22  VAL  36          1HG2      VAL  36   2.952  -0.872  -3.156
  244   HG23  VAL  36          2HG2      VAL  36   4.575  -1.470  -2.844
  245    H    SER  37           H        SER  37   4.831  -5.395  -4.764
  246    HA   SER  37           HA       SER  37   2.672  -6.902  -5.855
  247    HB2  SER  37           2HB      SER  37   4.572  -8.494  -6.214
  248    HB3  SER  37           1HB      SER  37   4.761  -6.979  -7.080
  249    HG   SER  37           HG       SER  37   6.690  -7.259  -6.095
  250    HA   PRO  38           HA       PRO  38   1.777  -8.659  -1.873
  251    HB2  PRO  38           2HB      PRO  38   1.571 -11.344  -2.526
  252    HB3  PRO  38           1HB      PRO  38   0.291 -10.140  -2.752
  253    HG2  PRO  38           2HG      PRO  38   2.291 -11.179  -4.711
  254    HG3  PRO  38           1HG      PRO  38   0.560 -10.880  -4.966
  255    HD2  PRO  38           2HD      PRO  38   2.375  -9.167  -5.877
  256    HD3  PRO  38           1HD      PRO  38   0.881  -8.555  -5.136
  257    H    GLU  39           H        GLU  39   4.399  -9.903  -3.728
  258    HA   GLU  39           HA       GLU  39   5.549 -11.545  -1.701
  259    HB2  GLU  39           2HB      GLU  39   5.809 -11.961  -4.146
  260    HB3  GLU  39           1HB      GLU  39   6.743 -10.477  -4.268
  261    HG2  GLU  39           2HG      GLU  39   8.439 -11.404  -2.836
  262    HG3  GLU  39           1HG      GLU  39   7.519 -12.889  -2.627
  263    H    MET  40           H        MET  40   5.731  -8.179  -2.633
  264    HA   MET  40           HA       MET  40   8.295  -7.671  -1.420
  265    HB2  MET  40           2HB      MET  40   7.157  -6.150  -3.335
  266    HB3  MET  40           1HB      MET  40   6.242  -5.598  -2.014
  267    HG2  MET  40           2HG      MET  40   7.845  -4.552  -0.919
  268    HG3  MET  40           1HG      MET  40   9.168  -5.490  -1.618
  269    HE1  MET  40           3HE      MET  40   6.598  -2.604  -2.196
  270    HE2  MET  40           1HE      MET  40   6.273  -3.578  -3.634
  271    HE3  MET  40           2HE      MET  40   7.037  -2.007  -3.806
  272    H    ALA  41           H        ALA  41   4.947  -7.296  -0.544
  273    HA   ALA  41           HA       ALA  41   5.163  -5.677   1.685
  274    HB1  ALA  41           1HB      ALA  41   2.923  -6.490   2.313
  275    HB2  ALA  41           2HB      ALA  41   3.112  -7.853   1.216
  276    HB3  ALA  41           3HB      ALA  41   3.026  -6.227   0.574
  277    H    GLU  42           H        GLU  42   5.280  -9.171   1.638
  278    HA   GLU  42           HA       GLU  42   5.778  -9.287   4.538
  279    HB2  GLU  42           2HB      GLU  42   5.686 -11.618   2.623
  280    HB3  GLU  42           1HB      GLU  42   5.897 -11.737   4.354
  281    HG2  GLU  42           2HG      GLU  42   3.653 -10.604   4.567
  282    HG3  GLU  42           1HG      GLU  42   3.483 -10.838   2.825
  283    H    ASN  43           H        ASN  43   7.840  -9.000   1.877
  284    HA   ASN  43           HA       ASN  43   9.927 -10.295   3.447
  285    HB2  ASN  43           2HB      ASN  43   9.553 -10.194   0.501
  286    HB3  ASN  43           1HB      ASN  43  11.058 -10.702   1.264
  287   HD21  ASN  43          1HD2      ASN  43   9.159 -12.252  -0.406
  288   HD22  ASN  43          2HD2      ASN  43   8.675 -13.590   0.587
  289    H    GLU  44           H        GLU  44   9.075  -7.273   1.960
  290    HA   GLU  44           HA       GLU  44  11.769  -6.352   2.630
  291    HB2  GLU  44           2HB      GLU  44  10.336  -5.658   0.051
  292    HB3  GLU  44           1HB      GLU  44  11.900  -5.033   0.561
  293    HG2  GLU  44           2HG      GLU  44  12.869  -7.253   0.467
  294    HG3  GLU  44           1HG      GLU  44  11.306  -7.939   0.029
  295    H    ASP  45           H        ASP  45  11.896  -3.929   2.714
  296    HA   ASP  45           HA       ASP  45   9.753  -3.053   4.429
  297    HB2  ASP  45           2HB      ASP  45  12.222  -1.545   3.544
  298    HB3  ASP  45           1HB      ASP  45  11.149  -1.140   4.881
  299    H    TYR  46           H        TYR  46   7.984  -2.048   3.581
  300    HA   TYR  46           HA       TYR  46   8.128  -0.680   1.106
  301    HB2  TYR  46           2HB      TYR  46   5.986  -1.728   1.648
  302    HB3  TYR  46           1HB      TYR  46   5.808  -0.729   3.087
  303    HD1  TYR  46           1HD      TYR  46   5.667  -0.690  -0.619
  304    HD2  TYR  46           2HD      TYR  46   5.116   1.564   2.941
  305    HE1  TYR  46           1HE      TYR  46   4.530   1.127  -1.924
  306    HE2  TYR  46           2HE      TYR  46   3.992   3.330   1.617
  307    HH   TYR  46           HH       TYR  46   2.963   2.909  -1.494
  308    H    ILE  47           H        ILE  47   8.981   1.028   0.851
  309    HA   ILE  47           HA       ILE  47   8.750   3.293   2.747
  310    HB   ILE  47           HB       ILE  47  10.741   3.040   0.441
  311   HG12  ILE  47          2HG1      ILE  47  11.250   1.416   2.234
  312   HG13  ILE  47          1HG1      ILE  47  12.468   2.665   2.132
  313   HG21  ILE  47          1HG2      ILE  47  11.857   4.978   1.455
  314   HG22  ILE  47          2HG2      ILE  47  10.545   5.084   2.654
  315   HG23  ILE  47          3HG2      ILE  47  10.209   5.314   0.928
  316   HD11  ILE  47          3HD1      ILE  47  11.489   3.798   4.087
  317   HD12  ILE  47          1HD1      ILE  47  11.940   2.133   4.458
  318   HD13  ILE  47          2HD1      ILE  47  10.251   2.552   4.178
  319    H    CYS  48           H        CYS  48   7.782   5.445   1.817
  320    HA   CYS  48           HA       CYS  48   6.387   4.793  -0.625
  321    HB2  CYS  48           2HB      CYS  48   4.725   6.309   0.005
  322    HB3  CYS  48           1HB      CYS  48   5.075   5.438   1.481
  323    H    ILE  49           H        ILE  49   5.922   6.813  -1.858
  324    HA   ILE  49           HA       ILE  49   8.155   8.037  -2.899
  325    HB   ILE  49           HB       ILE  49   6.075   7.965  -4.087
  326   HG12  ILE  49          2HG1      ILE  49   6.825  10.815  -3.513
  327   HG13  ILE  49          1HG1      ILE  49   7.717   9.749  -4.585
  328   HG21  ILE  49          1HG2      ILE  49   4.993   9.887  -2.039
  329   HG22  ILE  49          2HG2      ILE  49   4.523   8.218  -2.227
  330   HG23  ILE  49          3HG2      ILE  49   4.156   9.389  -3.509
  331   HD11  ILE  49          3HD1      ILE  49   5.862   9.546  -6.028
  332   HD12  ILE  49          1HD1      ILE  49   6.242  11.251  -5.835
  333   HD13  ILE  49          2HD1      ILE  49   4.833  10.527  -4.999
  334    H    ASN  50           H        ASN  50   6.204   9.171  -0.204
  335    HA   ASN  50           HA       ASN  50   7.592  11.715  -0.054
  336    HB2  ASN  50           2HB      ASN  50   5.701  10.453   1.953
  337    HB3  ASN  50           1HB      ASN  50   6.305  12.090   2.036
  338   HD21  ASN  50          1HD2      ASN  50   4.019   9.954   0.572
  339   HD22  ASN  50          2HD2      ASN  50   3.171  11.168  -0.315
  340    H    CYS  51           H        CYS  51   7.850   8.587   1.394
  341    HA   CYS  51           HA       CYS  51   9.660   9.393   3.485
  342    HB2  CYS  51           2HB      CYS  51   8.787   6.713   2.459
  343    HB3  CYS  51           1HB      CYS  51  10.107   6.870   3.615
  344    H    ALA  52           H        ALA  52   9.931   8.293   0.241
  345    HA   ALA  52           HA       ALA  52  12.737   7.598   0.487
  346    HB1  ALA  52           3HB      ALA  52  12.697   7.140  -1.911
  347    HB2  ALA  52           1HB      ALA  52  11.077   7.842  -2.015
  348    HB3  ALA  52           2HB      ALA  52  11.330   6.367  -1.085
  Start of MODEL    9
    1    HA   SER   1           HA       SER   1 -12.776   6.333   2.889
    2    HB2  SER   1           2HB      SER   1 -11.209   4.705   4.027
    3    HB3  SER   1           1HB      SER   1 -12.891   4.405   4.380
    4    HG   SER   1           HG       SER   1 -12.857   2.607   3.194
    5    H    VAL   2           H        VAL   2 -10.623   6.994   2.350
    6    HA   VAL   2           HA       VAL   2  -9.618   5.930  -0.207
    7    HB   VAL   2           HB       VAL   2  -9.325   8.774   0.816
    8   HG11  VAL   2          1HG1      VAL   2  -8.746   7.607  -1.911
    9   HG12  VAL   2          2HG1      VAL   2  -7.552   8.073  -0.714
   10   HG13  VAL   2          3HG1      VAL   2  -8.566   9.301  -1.466
   11   HG21  VAL   2          3HG2      VAL   2 -11.698   8.375   0.339
   12   HG22  VAL   2          1HG2      VAL   2 -11.282   7.756  -1.250
   13   HG23  VAL   2          2HG2      VAL   2 -11.022   9.460  -0.869
   14    H    CYS   3           H        CYS   3  -7.359   5.501  -0.203
   15    HA   CYS   3           HA       CYS   3  -6.141   5.762   2.448
   16    HB2  CYS   3           2HB      CYS   3  -5.057   3.771   2.071
   17    HB3  CYS   3           1HB      CYS   3  -6.364   3.513   0.933
   18    H    ALA   4           H        ALA   4  -3.532   5.655   1.847
   19    HA   ALA   4           HA       ALA   4  -3.086   8.249   0.549
   20    HB1  ALA   4           1HB      ALA   4  -2.147   7.987   2.822
   21    HB2  ALA   4           2HB      ALA   4  -0.862   8.192   1.627
   22    HB3  ALA   4           3HB      ALA   4  -1.207   6.600   2.278
   23    H    ALA   5           H        ALA   5  -2.542   8.093  -1.573
   24    HA   ALA   5           HA       ALA   5  -0.194   6.713  -2.379
   25    HB1  ALA   5           1HB      ALA   5  -1.197   5.175  -4.051
   26    HB2  ALA   5           2HB      ALA   5  -2.804   5.655  -3.545
   27    HB3  ALA   5           3HB      ALA   5  -1.766   4.781  -2.430
   28    H    GLN   6           H        GLN   6   0.641   7.736  -4.275
   29    HA   GLN   6           HA       GLN   6  -0.201  10.021  -5.312
   30    HB2  GLN   6           2HB      GLN   6   1.883   8.786  -5.893
   31    HB3  GLN   6           1HB      GLN   6   0.944   7.696  -6.894
   32    HG2  GLN   6           2HG      GLN   6   0.272   9.751  -8.233
   33    HG3  GLN   6           1HG      GLN   6   1.483  10.611  -7.308
   34   HE21  GLN   6          1HE2      GLN   6   3.660  10.238  -7.729
   35   HE22  GLN   6          2HE2      GLN   6   4.193   9.343  -9.098
   36    H    ASN   7           H        ASN   7  -1.217   6.953  -6.225
   37    HA   ASN   7           HA       ASN   7  -3.703   7.999  -7.483
   38    HB2  ASN   7           2HB      ASN   7  -2.207   7.498  -9.365
   39    HB3  ASN   7           1HB      ASN   7  -2.001   5.850  -8.795
   40   HD21  ASN   7          1HD2      ASN   7  -2.762   5.042 -10.761
   41   HD22  ASN   7          2HD2      ASN   7  -4.430   5.083 -11.193
   42    H    CYS   8           H        CYS   8  -5.154   7.283  -5.930
   43    HA   CYS   8           HA       CYS   8  -4.828   4.499  -5.292
   44    HB2  CYS   8           2HB      CYS   8  -4.956   5.911  -3.254
   45    HB3  CYS   8           1HB      CYS   8  -6.531   6.479  -3.782
   46    H    GLN   9           H        GLN   9  -5.883   3.175  -6.357
   47    HA   GLN   9           HA       GLN   9  -8.089   3.628  -8.070
   48    HB2  GLN   9           2HB      GLN   9  -6.976   1.100  -6.903
   49    HB3  GLN   9           1HB      GLN   9  -8.028   1.133  -8.295
   50    HG2  GLN   9           2HG      GLN   9  -6.259   2.438  -9.513
   51    HG3  GLN   9           1HG      GLN   9  -5.260   2.298  -8.082
   52   HE21  GLN   9          1HE2      GLN   9  -3.665   1.204  -9.209
   53   HE22  GLN   9          2HE2      GLN   9  -3.878  -0.423  -9.704
   54    H    ARG  10           H        ARG  10  -7.962   3.331  -4.742
   55    HA   ARG  10           HA       ARG  10  -9.255   2.507  -3.022
   56    HB2  ARG  10           2HB      ARG  10 -11.430   3.630  -4.787
   57    HB3  ARG  10           1HB      ARG  10 -11.642   3.203  -3.106
   58    HG2  ARG  10           2HG      ARG  10  -9.991   4.931  -2.477
   59    HG3  ARG  10           1HG      ARG  10  -9.847   5.375  -4.182
   60    HD2  ARG  10           2HD      ARG  10 -11.365   6.880  -3.076
   61    HD3  ARG  10           1HD      ARG  10 -12.299   5.875  -4.169
   62    HE   ARG  10           HE       ARG  10 -12.113   5.024  -1.391
   63   HH11  ARG  10          1HH1      ARG  10 -14.096   6.547  -3.942
   64   HH12  ARG  10          2HH1      ARG  10 -15.558   6.295  -3.133
   65   HH21  ARG  10          1HH2      ARG  10 -14.161   4.794  -0.247
   66   HH22  ARG  10          2HH2      ARG  10 -15.608   5.316  -0.938
   67    HA   PRO  11           HA       PRO  11 -10.739  -1.349  -5.268
   68    HB2  PRO  11           2HB      PRO  11  -8.493  -2.699  -3.956
   69    HB3  PRO  11           1HB      PRO  11  -8.938  -2.721  -5.673
   70    HG2  PRO  11           2HG      PRO  11  -6.741  -1.456  -4.801
   71    HG3  PRO  11           1HG      PRO  11  -7.731  -0.811  -6.133
   72    HD2  PRO  11           2HD      PRO  11  -7.707  -0.057  -3.234
   73    HD3  PRO  11           1HD      PRO  11  -7.698   1.008  -4.658
   74    H    CYS  12           H        CYS  12 -12.252  -2.413  -4.184
   75    HA   CYS  12           HA       CYS  12 -11.988  -2.630  -1.293
   76    HB2  CYS  12           2HB      CYS  12 -14.476  -2.451  -3.001
   77    HB3  CYS  12           1HB      CYS  12 -14.449  -2.679  -1.251
   78    HG   CYS  12           HG       CYS  12 -13.752   0.109  -3.076
   79    H    LYS  13           H        LYS  13 -11.259  -4.577  -0.871
   80    HA   LYS  13           HA       LYS  13 -12.809  -6.855  -1.706
   81    HB2  LYS  13           2HB      LYS  13  -9.805  -6.642  -2.002
   82    HB3  LYS  13           1HB      LYS  13 -10.667  -8.170  -2.052
   83    HG2  LYS  13           2HG      LYS  13 -11.906  -7.311  -4.035
   84    HG3  LYS  13           1HG      LYS  13 -10.902  -5.874  -3.985
   85    HD2  LYS  13           2HD      LYS  13  -8.899  -7.129  -4.340
   86    HD3  LYS  13           1HD      LYS  13  -9.757  -8.659  -4.193
   87    HE2  LYS  13           2HE      LYS  13  -9.316  -8.180  -6.541
   88    HE3  LYS  13           1HE      LYS  13 -11.048  -8.109  -6.205
   89    HZ1  LYS  13           3HZ      LYS  13 -10.874  -5.671  -6.153
   90    HZ2  LYS  13           1HZ      LYS  13 -10.372  -6.338  -7.628
   91    HZ3  LYS  13           2HZ      LYS  13  -9.220  -5.794  -6.527
   92    H    ASP  14           H        ASP  14 -12.912  -8.347  -0.069
   93    HA   ASP  14           HA       ASP  14 -12.087  -7.534   2.515
   94    HB2  ASP  14           2HB      ASP  14 -13.172 -10.112   1.469
   95    HB3  ASP  14           1HB      ASP  14 -12.782  -9.926   3.168
   96    H    LYS  15           H        LYS  15 -10.943 -10.272   0.459
   97    HA   LYS  15           HA       LYS  15  -8.660 -10.433   2.117
   98    HB2  LYS  15           2HB      LYS  15  -9.479 -11.831  -0.399
   99    HB3  LYS  15           1HB      LYS  15  -7.995 -12.176   0.464
  100    HG2  LYS  15           2HG      LYS  15  -9.343 -12.874   2.432
  101    HG3  LYS  15           1HG      LYS  15 -10.803 -12.539   1.503
  102    HD2  LYS  15           2HD      LYS  15 -10.191 -14.202  -0.166
  103    HD3  LYS  15           1HD      LYS  15  -8.661 -14.482   0.662
  104    HE2  LYS  15           2HE      LYS  15  -9.814 -15.353   2.602
  105    HE3  LYS  15           1HE      LYS  15 -11.374 -15.006   1.851
  106    HZ1  LYS  15           3HZ      LYS  15  -9.378 -16.906   0.713
  107    HZ2  LYS  15           1HZ      LYS  15 -10.954 -16.661   0.181
  108    HZ3  LYS  15           2HZ      LYS  15 -10.695 -17.360   1.668
  109    H    VAL  16           H        VAL  16  -7.521  -8.562   1.891
  110    HA   VAL  16           HA       VAL  16  -5.693  -8.532  -0.208
  111    HB   VAL  16           HB       VAL  16  -7.390  -7.384  -1.512
  112   HG11  VAL  16          1HG1      VAL  16  -7.479  -5.393   0.740
  113   HG12  VAL  16          2HG1      VAL  16  -8.774  -6.517   0.271
  114   HG13  VAL  16          3HG1      VAL  16  -8.294  -5.214  -0.818
  115   HG21  VAL  16          3HG2      VAL  16  -5.068  -6.671  -1.772
  116   HG22  VAL  16          1HG2      VAL  16  -5.307  -5.455  -0.525
  117   HG23  VAL  16          2HG2      VAL  16  -6.152  -5.292  -2.066
  118    H    ASP  17           H        ASP  17  -4.033  -8.230   0.809
  119    HA   ASP  17           HA       ASP  17  -3.880  -6.776   3.256
  120    HB2  ASP  17           2HB      ASP  17  -1.692  -8.056   1.650
  121    HB3  ASP  17           1HB      ASP  17  -1.446  -7.330   3.237
  122    H    TRP  18           H        TRP  18  -2.909  -4.968   3.806
  123    HA   TRP  18           HA       TRP  18  -2.405  -2.956   1.716
  124    HB2  TRP  18           2HB      TRP  18  -3.270  -2.687   4.611
  125    HB3  TRP  18           1HB      TRP  18  -2.945  -1.337   3.509
  126    HD1  TRP  18           HD       TRP  18  -5.189  -4.503   3.017
  127    HE1  TRP  18           1HE      TRP  18  -7.518  -3.757   2.397
  128    HE3  TRP  18           3HE      TRP  18  -4.463   0.526   3.340
  129    HZ2  TRP  18           2HZ      TRP  18  -8.945  -1.278   2.104
  130    HZ3  TRP  18           3HZ      TRP  18  -6.354   2.033   2.894
  131    HH2  TRP  18           HH       TRP  18  -8.560   1.138   2.292
  132    H    VAL  19           H        VAL  19  -0.577  -1.261   2.385
  133    HA   VAL  19           HA       VAL  19   1.350  -2.549   4.108
  134    HB   VAL  19           HB       VAL  19   3.132  -1.619   2.610
  135   HG11  VAL  19          1HG1      VAL  19   1.291  -3.611   1.304
  136   HG12  VAL  19          2HG1      VAL  19   2.551  -3.963   2.495
  137   HG13  VAL  19          3HG1      VAL  19   2.985  -3.350   0.900
  138   HG21  VAL  19          3HG2      VAL  19   0.828  -1.124   0.709
  139   HG22  VAL  19          1HG2      VAL  19   2.531  -1.057   0.251
  140   HG23  VAL  19          2HG2      VAL  19   1.911   0.084   1.419
  141    H    GLN  20           H        GLN  20   2.327  -1.205   5.455
  142    HA   GLN  20           HA       GLN  20   1.525   1.642   5.445
  143    HB2  GLN  20           2HB      GLN  20   0.933   0.293   7.512
  144    HB3  GLN  20           1HB      GLN  20   2.640  -0.005   7.744
  145    HG2  GLN  20           2HG      GLN  20   3.026   2.375   8.082
  146    HG3  GLN  20           1HG      GLN  20   1.334   2.715   7.782
  147   HE21  GLN  20          1HE2      GLN  20   2.953   3.292  10.140
  148   HE22  GLN  20          2HE2      GLN  20   2.142   2.532  11.442
  149    H    CYS  21           H        CYS  21   3.108   3.254   5.391
  150    HA   CYS  21           HA       CYS  21   5.801   2.278   4.743
  151    HB2  CYS  21           2HB      CYS  21   6.313   4.603   3.952
  152    HB3  CYS  21           1HB      CYS  21   4.860   3.976   3.183
  153    H    ASP  22           H        ASP  22   7.260   2.022   6.180
  154    HA   ASP  22           HA       ASP  22   7.085   3.265   8.804
  155    HB2  ASP  22           2HB      ASP  22   8.994   1.193   7.690
  156    HB3  ASP  22           1HB      ASP  22   9.027   1.796   9.330
  157    H    GLY  23           H        GLY  23   7.762   4.895   6.482
  158    HA2  GLY  23           2HA      GLY  23  10.578   5.530   6.990
  159    HA3  GLY  23           1HA      GLY  23   9.627   6.107   5.608
  160    H    GLY  24           H        GLY  24   7.363   6.628   7.703
  161    HA2  GLY  24           2HA      GLY  24   7.863   8.363   9.663
  162    HA3  GLY  24           1HA      GLY  24   8.293   9.320   8.271
  163    H    CYS  25           H        CYS  25   5.850   7.761   6.886
  164    HA   CYS  25           HA       CYS  25   3.988   9.913   7.654
  165    HB2  CYS  25           2HB      CYS  25   3.382   7.809   5.582
  166    HB3  CYS  25           1HB      CYS  25   2.701   9.414   5.718
  167    H    ASP  26           H        ASP  26   4.385   6.484   8.002
  168    HA   ASP  26           HA       ASP  26   3.225   4.801   8.969
  169    HB2  ASP  26           2HB      ASP  26   2.120   7.094  10.610
  170    HB3  ASP  26           1HB      ASP  26   1.835   5.423  10.981
  171    H    GLU  27           H        GLU  27   1.947   6.254   6.657
  172    HA   GLU  27           HA       GLU  27  -0.855   5.739   7.207
  173    HB2  GLU  27           2HB      GLU  27   0.472   6.944   4.786
  174    HB3  GLU  27           1HB      GLU  27  -1.264   6.717   4.924
  175    HG2  GLU  27           2HG      GLU  27  -1.126   8.135   7.025
  176    HG3  GLU  27           1HG      GLU  27   0.531   8.484   6.556
  177    H    TRP  28           H        TRP  28  -2.097   4.731   5.520
  178    HA   TRP  28           HA       TRP  28  -0.867   2.134   4.851
  179    HB2  TRP  28           2HB      TRP  28  -3.742   2.777   5.497
  180    HB3  TRP  28           1HB      TRP  28  -3.193   1.216   4.879
  181    HD1  TRP  28           HD       TRP  28  -2.852   3.447   8.025
  182    HE1  TRP  28           1HE      TRP  28  -2.156   1.952   9.981
  183    HE3  TRP  28           3HE      TRP  28  -2.173  -0.921   5.488
  184    HZ2  TRP  28           2HZ      TRP  28  -1.444  -0.776  10.414
  185    HZ3  TRP  28           3HZ      TRP  28  -1.496  -2.919   6.716
  186    HH2  TRP  28           HH       TRP  28  -1.133  -2.838   9.169
  187    H    PHE  29           H        PHE  29  -0.679   1.502   2.902
  188    HA   PHE  29           HA       PHE  29  -1.991   2.996   0.717
  189    HB2  PHE  29           2HB      PHE  29   0.701   1.560   0.630
  190    HB3  PHE  29           1HB      PHE  29  -0.005   2.613  -0.571
  191    HD1  PHE  29           1HD      PHE  29   1.133   2.684   2.966
  192    HD2  PHE  29           2HD      PHE  29   0.682   4.838  -0.648
  193    HE1  PHE  29           1HE      PHE  29   2.302   4.571   3.956
  194    HE2  PHE  29           2HE      PHE  29   1.842   6.761   0.354
  195    HZ   PHE  29           HZ       PHE  29   2.654   6.612   2.695
  196    H    HIS  30           H        HIS  30  -2.512   1.692  -1.099
  197    HA   HIS  30           HA       HIS  30  -3.010  -1.179  -0.520
  198    HB2  HIS  30           2HB      HIS  30  -3.903   0.624  -2.728
  199    HB3  HIS  30           1HB      HIS  30  -4.142  -1.039  -2.986
  200    HD2  HIS  30           2HD      HIS  30  -6.144  -2.080  -1.025
  201    HE1  HIS  30           1HE      HIS  30  -7.900   1.766  -0.734
  202    HE2  HIS  30           2HE      HIS  30  -8.287  -0.719  -0.569
  203    H    GLN  31           H        GLN  31  -1.917  -2.803  -1.553
  204    HA   GLN  31           HA       GLN  31   0.531  -2.216  -2.626
  205    HB2  GLN  31           2HB      GLN  31  -1.115  -4.733  -2.824
  206    HB3  GLN  31           1HB      GLN  31   0.511  -4.619  -3.500
  207    HG2  GLN  31           2HG      GLN  31   1.409  -4.112  -1.323
  208    HG3  GLN  31           1HG      GLN  31  -0.200  -4.146  -0.621
  209   HE21  GLN  31          1HE2      GLN  31  -1.145  -6.104  -0.234
  210   HE22  GLN  31          2HE2      GLN  31  -0.282  -7.599  -0.356
  211    H    VAL  32           H        VAL  32  -2.383  -3.058  -4.462
  212    HA   VAL  32           HA       VAL  32  -1.136  -2.794  -6.980
  213    HB   VAL  32           HB       VAL  32  -3.250  -4.040  -6.716
  214   HG11  VAL  32          1HG1      VAL  32  -4.360  -1.344  -6.223
  215   HG12  VAL  32          2HG1      VAL  32  -4.201  -2.616  -5.016
  216   HG13  VAL  32          3HG1      VAL  32  -5.348  -2.810  -6.394
  217   HG21  VAL  32          3HG2      VAL  32  -2.708  -3.110  -8.927
  218   HG22  VAL  32          1HG2      VAL  32  -3.507  -1.625  -8.416
  219   HG23  VAL  32          2HG2      VAL  32  -4.461  -3.100  -8.635
  220    H    CYS  33           H        CYS  33  -2.726  -0.589  -4.982
  221    HA   CYS  33           HA       CYS  33  -2.935   1.526  -6.989
  222    HB2  CYS  33           2HB      CYS  33  -4.172   2.856  -5.513
  223    HB3  CYS  33           1HB      CYS  33  -4.543   1.281  -4.955
  224    H    VAL  34           H        VAL  34  -0.463   0.721  -4.598
  225    HA   VAL  34           HA       VAL  34   0.909   3.095  -5.497
  226    HB   VAL  34           HB       VAL  34   0.354   2.453  -2.954
  227   HG11  VAL  34          1HG1      VAL  34   1.211   0.318  -2.902
  228   HG12  VAL  34          2HG1      VAL  34   1.964   1.421  -1.752
  229   HG13  VAL  34          3HG1      VAL  34   2.816   0.981  -3.232
  230   HG21  VAL  34          3HG2      VAL  34   2.953   3.579  -3.865
  231   HG22  VAL  34          1HG2      VAL  34   2.174   3.765  -2.258
  232   HG23  VAL  34          2HG2      VAL  34   1.375   4.393  -3.721
  233    H    GLY  35           H        GLY  35   0.608   0.279  -6.627
  234    HA2  GLY  35           2HA      GLY  35   1.916  -1.206  -7.936
  235    HA3  GLY  35           1HA      GLY  35   3.107   0.077  -7.926
  236    H    VAL  36           H        VAL  36   2.080  -1.813  -5.078
  237    HA   VAL  36           HA       VAL  36   4.772  -2.896  -4.736
  238    HB   VAL  36           HB       VAL  36   2.260  -3.015  -3.048
  239   HG11  VAL  36          1HG1      VAL  36   5.052  -3.934  -2.344
  240   HG12  VAL  36          2HG1      VAL  36   3.632  -4.928  -2.615
  241   HG13  VAL  36          3HG1      VAL  36   3.678  -3.845  -1.217
  242   HG21  VAL  36          3HG2      VAL  36   3.134  -0.834  -3.205
  243   HG22  VAL  36          1HG2      VAL  36   4.748  -1.366  -2.724
  244   HG23  VAL  36          2HG2      VAL  36   3.394  -1.454  -1.582
  245    H    SER  37           H        SER  37   5.084  -5.349  -4.807
  246    HA   SER  37           HA       SER  37   2.837  -6.785  -5.867
  247    HB2  SER  37           2HB      SER  37   4.663  -8.490  -6.278
  248    HB3  SER  37           1HB      SER  37   4.948  -6.967  -7.107
  249    HG   SER  37           HG       SER  37   6.732  -8.028  -5.796
  250    HA   PRO  38           HA       PRO  38   1.866  -8.602  -1.960
  251    HB2  PRO  38           2HB      PRO  38   1.754 -11.306  -2.593
  252    HB3  PRO  38           1HB      PRO  38   0.450 -10.135  -2.837
  253    HG2  PRO  38           2HG      PRO  38   2.506 -11.079  -4.789
  254    HG3  PRO  38           1HG      PRO  38   0.758 -10.849  -5.041
  255    HD2  PRO  38           2HD      PRO  38   2.507  -9.071  -5.932
  256    HD3  PRO  38           1HD      PRO  38   1.005  -8.515  -5.164
  257    H    GLU  39           H        GLU  39   4.623 -10.072  -3.703
  258    HA   GLU  39           HA       GLU  39   5.768 -11.471  -1.573
  259    HB2  GLU  39           2HB      GLU  39   6.945 -10.274  -4.100
  260    HB3  GLU  39           1HB      GLU  39   7.645 -11.524  -3.084
  261    HG2  GLU  39           2HG      GLU  39   5.904 -13.074  -3.688
  262    HG3  GLU  39           1HG      GLU  39   5.038 -11.822  -4.565
  263    H    MET  40           H        MET  40   5.833  -8.185  -2.704
  264    HA   MET  40           HA       MET  40   8.298  -7.285  -1.546
  265    HB2  MET  40           2HB      MET  40   7.086  -6.204  -3.492
  266    HB3  MET  40           1HB      MET  40   5.852  -5.788  -2.368
  267    HG2  MET  40           2HG      MET  40   7.305  -4.249  -1.188
  268    HG3  MET  40           1HG      MET  40   8.652  -4.731  -2.233
  269    HE1  MET  40           3HE      MET  40   7.463  -1.662  -1.869
  270    HE2  MET  40           1HE      MET  40   7.526  -1.134  -3.549
  271    HE3  MET  40           2HE      MET  40   8.914  -1.988  -2.853
  272    H    ALA  41           H        ALA  41   4.851  -7.095  -0.628
  273    HA   ALA  41           HA       ALA  41   4.987  -5.422   1.537
  274    HB1  ALA  41           1HB      ALA  41   2.917  -6.147   0.464
  275    HB2  ALA  41           2HB      ALA  41   2.856  -6.417   2.195
  276    HB3  ALA  41           3HB      ALA  41   3.164  -7.771   1.107
  277    H    GLU  42           H        GLU  42   5.462  -8.783   1.468
  278    HA   GLU  42           HA       GLU  42   6.057  -8.749   4.351
  279    HB2  GLU  42           2HB      GLU  42   5.947 -11.195   2.603
  280    HB3  GLU  42           1HB      GLU  42   6.440 -11.220   4.281
  281    HG2  GLU  42           2HG      GLU  42   4.219 -10.241   4.888
  282    HG3  GLU  42           1HG      GLU  42   3.725 -10.473   3.205
  283    H    ASN  43           H        ASN  43   7.981  -9.674   1.418
  284    HA   ASN  43           HA       ASN  43  10.184 -10.281   2.967
  285    HB2  ASN  43           2HB      ASN  43   9.892  -9.739   0.028
  286    HB3  ASN  43           1HB      ASN  43  11.378 -10.294   0.792
  287   HD21  ASN  43          1HD2      ASN  43   9.643 -11.552  -1.202
  288   HD22  ASN  43          2HD2      ASN  43   9.204 -13.097  -0.519
  289    H    GLU  44           H        GLU  44   9.285  -7.117   1.509
  290    HA   GLU  44           HA       GLU  44  11.914  -6.210   2.447
  291    HB2  GLU  44           2HB      GLU  44  10.645  -5.329  -0.149
  292    HB3  GLU  44           1HB      GLU  44  12.185  -4.815   0.503
  293    HG2  GLU  44           2HG      GLU  44  13.014  -7.151   0.341
  294    HG3  GLU  44           1HG      GLU  44  11.467  -7.577  -0.416
  295    H    ASP  45           H        ASP  45  12.077  -3.882   2.751
  296    HA   ASP  45           HA       ASP  45   9.845  -2.989   4.312
  297    HB2  ASP  45           2HB      ASP  45  12.426  -1.567   3.644
  298    HB3  ASP  45           1HB      ASP  45  11.246  -1.030   4.837
  299    H    TYR  46           H        TYR  46   8.199  -2.088   3.393
  300    HA   TYR  46           HA       TYR  46   8.296  -0.705   0.942
  301    HB2  TYR  46           2HB      TYR  46   6.274  -1.809   1.483
  302    HB3  TYR  46           1HB      TYR  46   6.100  -0.934   3.001
  303    HD1  TYR  46           1HD      TYR  46   5.970  -0.576  -0.684
  304    HD2  TYR  46           2HD      TYR  46   5.109   1.212   3.079
  305    HE1  TYR  46           1HE      TYR  46   4.667   1.260  -1.805
  306    HE2  TYR  46           2HE      TYR  46   3.849   2.963   1.956
  307    HH   TYR  46           HH       TYR  46   2.925   2.787  -1.191
  308    H    ILE  47           H        ILE  47   9.014   1.085   0.619
  309    HA   ILE  47           HA       ILE  47   8.723   3.341   2.539
  310    HB   ILE  47           HB       ILE  47  10.706   3.146   0.225
  311   HG12  ILE  47          2HG1      ILE  47  11.340   1.556   1.984
  312   HG13  ILE  47          1HG1      ILE  47  12.473   2.905   1.953
  313   HG21  ILE  47          1HG2      ILE  47  11.763   5.131   1.241
  314   HG22  ILE  47          2HG2      ILE  47  10.447   5.162   2.437
  315   HG23  ILE  47          3HG2      ILE  47  10.093   5.415   0.729
  316   HD11  ILE  47          3HD1      ILE  47  11.952   2.260   4.228
  317   HD12  ILE  47          1HD1      ILE  47  10.229   2.517   3.934
  318   HD13  ILE  47          2HD1      ILE  47  11.346   3.883   3.894
  319    H    CYS  48           H        CYS  48   7.602   5.333   1.699
  320    HA   CYS  48           HA       CYS  48   6.090   4.666  -0.707
  321    HB2  CYS  48           2HB      CYS  48   4.409   6.104   0.082
  322    HB3  CYS  48           1HB      CYS  48   4.979   5.347   1.553
  323    H    ILE  49           H        ILE  49   5.413   6.809  -1.797
  324    HA   ILE  49           HA       ILE  49   7.558   7.939  -3.141
  325    HB   ILE  49           HB       ILE  49   5.328   7.867  -4.092
  326   HG12  ILE  49          2HG1      ILE  49   6.159  10.716  -3.740
  327   HG13  ILE  49          1HG1      ILE  49   6.977   9.583  -4.818
  328   HG21  ILE  49          1HG2      ILE  49   3.977   8.247  -2.108
  329   HG22  ILE  49          2HG2      ILE  49   3.546   9.363  -3.396
  330   HG23  ILE  49          3HG2      ILE  49   4.534   9.920  -2.042
  331   HD11  ILE  49          3HD1      ILE  49   4.091  10.401  -5.025
  332   HD12  ILE  49          1HD1      ILE  49   4.954   9.282  -6.066
  333   HD13  ILE  49          2HD1      ILE  49   5.410  10.991  -6.060
  334    H    ASN  50           H        ASN  50   5.895   9.188  -0.266
  335    HA   ASN  50           HA       ASN  50   7.378  11.682  -0.328
  336    HB2  ASN  50           2HB      ASN  50   5.485  10.567   1.737
  337    HB3  ASN  50           1HB      ASN  50   6.219  12.168   1.841
  338   HD21  ASN  50          1HD2      ASN  50   5.528  13.789   0.467
  339   HD22  ASN  50          2HD2      ASN  50   4.078  13.645  -0.443
  340    H    CYS  51           H        CYS  51   7.568   8.628   1.192
  341    HA   CYS  51           HA       CYS  51   9.550   9.454   3.106
  342    HB2  CYS  51           2HB      CYS  51   8.577   6.734   2.257
  343    HB3  CYS  51           1HB      CYS  51   9.941   6.942   3.345
  344    H    ALA  52           H        ALA  52   9.539   8.456  -0.149
  345    HA   ALA  52           HA       ALA  52  12.378   7.793  -0.165
  346    HB1  ALA  52           3HB      ALA  52  12.052   7.180  -2.507
  347    HB2  ALA  52           1HB      ALA  52  10.380   7.737  -2.429
  348    HB3  ALA  52           2HB      ALA  52  10.885   6.363  -1.443
  Start of MODEL   10
    1    HA   SER   1           HA       SER   1 -12.745   6.942   2.749
    2    HB2  SER   1           2HB      SER   1 -11.344   4.616   4.107
    3    HB3  SER   1           1HB      SER   1 -10.857   6.308   4.230
    4    HG   SER   1           HG       SER   1 -13.055   4.960   5.289
    5    H    VAL   2           H        VAL   2 -10.468   7.542   2.120
    6    HA   VAL   2           HA       VAL   2  -9.570   5.929  -0.150
    7    HB   VAL   2           HB       VAL   2  -9.206   8.924   0.306
    8   HG11  VAL   2          1HG1      VAL   2  -7.367   7.964  -0.968
    9   HG12  VAL   2          2HG1      VAL   2  -8.371   8.971  -2.026
   10   HG13  VAL   2          3HG1      VAL   2  -8.500   7.221  -2.091
   11   HG21  VAL   2          3HG2      VAL   2 -11.517   8.378  -0.210
   12   HG22  VAL   2          1HG2      VAL   2 -11.014   7.525  -1.667
   13   HG23  VAL   2          2HG2      VAL   2 -10.782   9.280  -1.531
   14    H    CYS   3           H        CYS   3  -7.419   5.315  -0.144
   15    HA   CYS   3           HA       CYS   3  -6.133   5.677   2.420
   16    HB2  CYS   3           2HB      CYS   3  -5.007   3.713   1.978
   17    HB3  CYS   3           1HB      CYS   3  -6.341   3.472   0.867
   18    H    ALA   4           H        ALA   4  -3.517   5.636   1.845
   19    HA   ALA   4           HA       ALA   4  -3.077   8.228   0.563
   20    HB1  ALA   4           1HB      ALA   4  -0.778   8.023   1.590
   21    HB2  ALA   4           2HB      ALA   4  -1.256   6.463   2.255
   22    HB3  ALA   4           3HB      ALA   4  -2.065   7.918   2.785
   23    H    ALA   5           H        ALA   5  -2.644   8.094  -1.583
   24    HA   ALA   5           HA       ALA   5  -0.383   6.708  -2.572
   25    HB1  ALA   5           1HB      ALA   5  -1.478   5.152  -4.163
   26    HB2  ALA   5           2HB      ALA   5  -3.042   5.660  -3.613
   27    HB3  ALA   5           3HB      ALA   5  -1.991   4.784  -2.526
   28    H    GLN   6           H        GLN   6   0.341   7.738  -4.419
   29    HA   GLN   6           HA       GLN   6  -0.453  10.062  -5.453
   30    HB2  GLN   6           2HB      GLN   6   0.555   7.701  -7.095
   31    HB3  GLN   6           1HB      GLN   6   0.715   9.402  -7.507
   32    HG2  GLN   6           2HG      GLN   6   2.288   9.719  -5.753
   33    HG3  GLN   6           1HG      GLN   6   1.946   8.132  -5.075
   34   HE21  GLN   6          1HE2      GLN   6   2.759   6.270  -6.123
   35   HE22  GLN   6          2HE2      GLN   6   4.019   6.410  -7.301
   36    H    ASN   7           H        ASN   7  -1.426   7.008  -6.529
   37    HA   ASN   7           HA       ASN   7  -3.986   8.063  -7.587
   38    HB2  ASN   7           2HB      ASN   7  -2.287   6.028  -9.057
   39    HB3  ASN   7           1HB      ASN   7  -3.941   6.384  -9.485
   40   HD21  ASN   7          1HD2      ASN   7  -1.511   6.645 -11.085
   41   HD22  ASN   7          2HD2      ASN   7  -1.439   8.300 -11.549
   42    H    CYS   8           H        CYS   8  -5.232   7.280  -5.874
   43    HA   CYS   8           HA       CYS   8  -4.890   4.496  -5.359
   44    HB2  CYS   8           2HB      CYS   8  -5.057   5.905  -3.353
   45    HB3  CYS   8           1HB      CYS   8  -6.651   6.457  -3.870
   46    H    GLN   9           H        GLN   9  -5.955   3.144  -6.437
   47    HA   GLN   9           HA       GLN   9  -8.214   3.641  -8.103
   48    HB2  GLN   9           2HB      GLN   9  -7.055   1.052  -7.091
   49    HB3  GLN   9           1HB      GLN   9  -8.147   1.195  -8.453
   50    HG2  GLN   9           2HG      GLN   9  -6.411   2.530  -9.644
   51    HG3  GLN   9           1HG      GLN   9  -5.364   2.287  -8.247
   52   HE21  GLN   9          1HE2      GLN   9  -3.818   1.241  -9.509
   53   HE22  GLN   9          2HE2      GLN   9  -4.076  -0.367 -10.082
   54    H    ARG  10           H        ARG  10  -7.899   3.278  -4.859
   55    HA   ARG  10           HA       ARG  10  -9.071   2.589  -3.047
   56    HB2  ARG  10           2HB      ARG  10 -10.227   4.663  -3.854
   57    HB3  ARG  10           1HB      ARG  10 -11.408   3.664  -4.670
   58    HG2  ARG  10           2HG      ARG  10 -12.091   2.722  -2.489
   59    HG3  ARG  10           1HG      ARG  10 -10.931   3.785  -1.686
   60    HD2  ARG  10           2HD      ARG  10 -12.150   5.735  -2.636
   61    HD3  ARG  10           1HD      ARG  10 -13.323   4.611  -3.334
   62    HE   ARG  10           HE       ARG  10 -12.881   4.385  -0.492
   63   HH11  ARG  10          1HH1      ARG  10 -14.930   5.877  -3.020
   64   HH12  ARG  10          2HH1      ARG  10 -16.252   6.111  -2.008
   65   HH21  ARG  10          1HH2      ARG  10 -14.753   4.757   0.931
   66   HH22  ARG  10          2HH2      ARG  10 -16.149   5.477   0.285
   67    HA   PRO  11           HA       PRO  11 -10.837  -1.330  -5.083
   68    HB2  PRO  11           2HB      PRO  11  -8.502  -2.713  -3.923
   69    HB3  PRO  11           1HB      PRO  11  -9.115  -2.778  -5.590
   70    HG2  PRO  11           2HG      PRO  11  -6.810  -1.527  -4.974
   71    HG3  PRO  11           1HG      PRO  11  -7.879  -0.893  -6.231
   72    HD2  PRO  11           2HD      PRO  11  -7.588  -0.050  -3.374
   73    HD3  PRO  11           1HD      PRO  11  -7.691   0.962  -4.826
   74    H    CYS  12           H        CYS  12 -12.251  -2.406  -3.841
   75    HA   CYS  12           HA       CYS  12 -11.784  -2.529  -0.960
   76    HB2  CYS  12           2HB      CYS  12 -13.521  -0.900  -1.457
   77    HB3  CYS  12           1HB      CYS  12 -14.380  -2.083  -2.443
   78    HG   CYS  12           HG       CYS  12 -15.936  -2.661  -0.515
   79    H    LYS  13           H        LYS  13 -11.237  -4.586  -0.565
   80    HA   LYS  13           HA       LYS  13 -13.151  -6.674  -1.154
   81    HB2  LYS  13           2HB      LYS  13 -10.201  -6.975  -1.847
   82    HB3  LYS  13           1HB      LYS  13 -11.412  -8.240  -1.910
   83    HG2  LYS  13           2HG      LYS  13 -12.543  -6.994  -3.748
   84    HG3  LYS  13           1HG      LYS  13 -11.237  -5.820  -3.703
   85    HD2  LYS  13           2HD      LYS  13  -9.609  -7.665  -4.158
   86    HD3  LYS  13           1HD      LYS  13 -10.967  -8.769  -4.279
   87    HE2  LYS  13           2HE      LYS  13 -11.867  -7.389  -6.159
   88    HE3  LYS  13           1HE      LYS  13 -10.429  -6.385  -6.042
   89    HZ1  LYS  13           3HZ      LYS  13 -10.480  -9.274  -6.675
   90    HZ2  LYS  13           1HZ      LYS  13  -9.058  -8.369  -6.582
   91    HZ3  LYS  13           2HZ      LYS  13 -10.197  -8.077  -7.795
   92    H    ASP  14           H        ASP  14 -12.674  -8.494   0.243
   93    HA   ASP  14           HA       ASP  14 -11.386  -7.657   2.671
   94    HB2  ASP  14           2HB      ASP  14 -12.848 -10.184   1.934
   95    HB3  ASP  14           1HB      ASP  14 -12.101  -9.946   3.520
   96    H    LYS  15           H        LYS  15 -10.870 -10.572   0.495
   97    HA   LYS  15           HA       LYS  15  -8.315 -10.981   1.410
   98    HB2  LYS  15           2HB      LYS  15  -9.534 -11.691  -1.296
   99    HB3  LYS  15           1HB      LYS  15  -8.023 -12.294  -0.665
  100    HG2  LYS  15           2HG      LYS  15  -9.239 -13.475   1.101
  101    HG3  LYS  15           1HG      LYS  15 -10.764 -12.819   0.471
  102    HD2  LYS  15           2HD      LYS  15 -10.347 -13.954  -1.686
  103    HD3  LYS  15           1HD      LYS  15  -8.842 -14.599  -1.039
  104    HE2  LYS  15           2HE      LYS  15 -10.069 -15.905   0.599
  105    HE3  LYS  15           1HE      LYS  15 -11.600 -15.192   0.055
  106    HZ1  LYS  15           3HZ      LYS  15  -9.778 -16.874  -1.606
  107    HZ2  LYS  15           1HZ      LYS  15 -11.247 -16.268  -2.114
  108    HZ3  LYS  15           2HZ      LYS  15 -11.188 -17.450  -0.924
  109    H    VAL  16           H        VAL  16  -7.413  -8.805   1.456
  110    HA   VAL  16           HA       VAL  16  -5.600  -8.407  -0.630
  111    HB   VAL  16           HB       VAL  16  -7.446  -7.331  -1.854
  112   HG11  VAL  16          1HG1      VAL  16  -8.841  -6.664   0.014
  113   HG12  VAL  16          2HG1      VAL  16  -8.497  -5.253  -1.007
  114   HG13  VAL  16          3HG1      VAL  16  -7.586  -5.534   0.504
  115   HG21  VAL  16          3HG2      VAL  16  -6.390  -5.164  -2.330
  116   HG22  VAL  16          1HG2      VAL  16  -5.178  -6.434  -2.146
  117   HG23  VAL  16          2HG2      VAL  16  -5.466  -5.300  -0.831
  118    H    ASP  17           H        ASP  17  -4.075  -8.288   0.709
  119    HA   ASP  17           HA       ASP  17  -4.057  -6.746   3.081
  120    HB2  ASP  17           2HB      ASP  17  -1.743  -8.073   1.666
  121    HB3  ASP  17           1HB      ASP  17  -1.635  -7.307   3.255
  122    H    TRP  18           H        TRP  18  -2.783  -5.049   3.709
  123    HA   TRP  18           HA       TRP  18  -2.391  -2.991   1.644
  124    HB2  TRP  18           2HB      TRP  18  -3.191  -2.726   4.551
  125    HB3  TRP  18           1HB      TRP  18  -2.902  -1.385   3.468
  126    HD1  TRP  18           HD       TRP  18  -5.136  -4.535   2.938
  127    HE1  TRP  18           1HE      TRP  18  -7.465  -3.766   2.324
  128    HE3  TRP  18           3HE      TRP  18  -4.360   0.477   3.327
  129    HZ2  TRP  18           2HZ      TRP  18  -8.879  -1.250   2.092
  130    HZ3  TRP  18           3HZ      TRP  18  -6.235   2.008   2.914
  131    HH2  TRP  18           HH       TRP  18  -8.454   1.163   2.310
  132    H    VAL  19           H        VAL  19  -0.588  -1.263   2.297
  133    HA   VAL  19           HA       VAL  19   1.373  -2.515   3.959
  134    HB   VAL  19           HB       VAL  19   3.098  -1.465   2.447
  135   HG11  VAL  19          1HG1      VAL  19   3.045  -3.096   0.712
  136   HG12  VAL  19          2HG1      VAL  19   1.359  -3.516   1.113
  137   HG13  VAL  19          3HG1      VAL  19   2.667  -3.834   2.275
  138   HG21  VAL  19          3HG2      VAL  19   0.770  -1.100   0.566
  139   HG22  VAL  19          1HG2      VAL  19   2.479  -0.856   0.167
  140   HG23  VAL  19          2HG2      VAL  19   1.709   0.176   1.361
  141    H    GLN  20           H        GLN  20   2.256  -1.169   5.354
  142    HA   GLN  20           HA       GLN  20   1.430   1.667   5.390
  143    HB2  GLN  20           2HB      GLN  20   0.907   0.347   7.421
  144    HB3  GLN  20           1HB      GLN  20   2.592  -0.069   7.605
  145    HG2  GLN  20           2HG      GLN  20   3.141   2.277   7.993
  146    HG3  GLN  20           1HG      GLN  20   1.455   2.719   7.768
  147   HE21  GLN  20          1HE2      GLN  20   3.213   3.092  10.080
  148   HE22  GLN  20          2HE2      GLN  20   2.433   2.316  11.386
  149    H    CYS  21           H        CYS  21   2.992   3.298   5.282
  150    HA   CYS  21           HA       CYS  21   5.635   2.269   4.624
  151    HB2  CYS  21           2HB      CYS  21   6.206   4.504   3.638
  152    HB3  CYS  21           1HB      CYS  21   4.672   3.904   3.042
  153    H    ASP  22           H        ASP  22   6.834   1.878   6.154
  154    HA   ASP  22           HA       ASP  22   6.712   3.268   8.722
  155    HB2  ASP  22           2HB      ASP  22   8.380   0.915   7.794
  156    HB3  ASP  22           1HB      ASP  22   8.470   1.590   9.405
  157    H    GLY  23           H        GLY  23   7.787   4.556   6.249
  158    HA2  GLY  23           2HA      GLY  23  10.595   4.981   6.946
  159    HA3  GLY  23           1HA      GLY  23   9.807   5.526   5.475
  160    H    GLY  24           H        GLY  24   7.551   6.367   7.699
  161    HA2  GLY  24           2HA      GLY  24   8.347   8.288   9.329
  162    HA3  GLY  24           1HA      GLY  24   8.641   9.049   7.769
  163    H    CYS  25           H        CYS  25   6.044   7.623   6.730
  164    HA   CYS  25           HA       CYS  25   4.366   9.860   7.626
  165    HB2  CYS  25           2HB      CYS  25   3.559   7.829   5.549
  166    HB3  CYS  25           1HB      CYS  25   2.938   9.458   5.777
  167    H    ASP  26           H        ASP  26   4.688   6.438   7.844
  168    HA   ASP  26           HA       ASP  26   3.532   4.719   8.739
  169    HB2  ASP  26           2HB      ASP  26   2.585   6.889  10.665
  170    HB3  ASP  26           1HB      ASP  26   2.378   5.178  10.912
  171    H    GLU  27           H        GLU  27   2.246   6.145   6.586
  172    HA   GLU  27           HA       GLU  27  -0.571   5.780   7.203
  173    HB2  GLU  27           2HB      GLU  27   0.760   7.071   4.849
  174    HB3  GLU  27           1HB      GLU  27  -0.973   6.829   4.928
  175    HG2  GLU  27           2HG      GLU  27  -0.861   8.143   7.132
  176    HG3  GLU  27           1HG      GLU  27   0.774   8.568   6.654
  177    H    TRP  28           H        TRP  28  -1.906   4.927   5.394
  178    HA   TRP  28           HA       TRP  28  -0.793   2.273   4.737
  179    HB2  TRP  28           2HB      TRP  28  -3.631   3.047   5.398
  180    HB3  TRP  28           1HB      TRP  28  -3.161   1.459   4.799
  181    HD1  TRP  28           HD       TRP  28  -2.646   3.723   7.883
  182    HE1  TRP  28           1HE      TRP  28  -2.039   2.214   9.867
  183    HE3  TRP  28           3HE      TRP  28  -2.319  -0.754   5.436
  184    HZ2  TRP  28           2HZ      TRP  28  -1.515  -0.515  10.351
  185    HZ3  TRP  28           3HZ      TRP  28  -1.777  -2.765   6.727
  186    HH2  TRP  28           HH       TRP  28  -1.363  -2.647   9.143
  187    H    PHE  29           H        PHE  29  -0.685   1.577   2.786
  188    HA   PHE  29           HA       PHE  29  -2.026   3.035   0.572
  189    HB2  PHE  29           2HB      PHE  29   0.657   1.607   0.493
  190    HB3  PHE  29           1HB      PHE  29  -0.066   2.606  -0.751
  191    HD1  PHE  29           1HD      PHE  29   1.097   2.817   2.774
  192    HD2  PHE  29           2HD      PHE  29   0.704   4.842  -0.946
  193    HE1  PHE  29           1HE      PHE  29   2.303   4.713   3.677
  194    HE2  PHE  29           2HE      PHE  29   1.916   6.759  -0.023
  195    HZ   PHE  29           HZ       PHE  29   2.717   6.680   2.326
  196    H    HIS  30           H        HIS  30  -2.551   1.685  -1.203
  197    HA   HIS  30           HA       HIS  30  -3.056  -1.175  -0.578
  198    HB2  HIS  30           2HB      HIS  30  -3.974   0.594  -2.815
  199    HB3  HIS  30           1HB      HIS  30  -4.229  -1.088  -2.993
  200    HD2  HIS  30           2HD      HIS  30  -6.169  -2.061  -0.998
  201    HE1  HIS  30           1HE      HIS  30  -7.934   1.780  -0.759
  202    HE2  HIS  30           2HE      HIS  30  -8.317  -0.709  -0.600
  203    H    GLN  31           H        GLN  31  -2.093  -2.779  -1.673
  204    HA   GLN  31           HA       GLN  31   0.403  -2.269  -2.760
  205    HB2  GLN  31           2HB      GLN  31  -1.199  -4.817  -2.972
  206    HB3  GLN  31           1HB      GLN  31   0.438  -4.616  -3.586
  207    HG2  GLN  31           2HG      GLN  31   1.278  -4.149  -1.409
  208    HG3  GLN  31           1HG      GLN  31  -0.329  -4.183  -0.713
  209   HE21  GLN  31          1HE2      GLN  31  -1.296  -6.135  -0.381
  210   HE22  GLN  31          2HE2      GLN  31  -0.486  -7.645  -0.485
  211    H    VAL  32           H        VAL  32  -2.609  -2.902  -4.572
  212    HA   VAL  32           HA       VAL  32  -1.176  -2.764  -7.044
  213    HB   VAL  32           HB       VAL  32  -3.282  -4.028  -6.921
  214   HG11  VAL  32          1HG1      VAL  32  -5.427  -2.795  -6.755
  215   HG12  VAL  32          2HG1      VAL  32  -4.438  -1.331  -6.509
  216   HG13  VAL  32          3HG1      VAL  32  -4.393  -2.619  -5.301
  217   HG21  VAL  32          3HG2      VAL  32  -4.398  -3.062  -8.928
  218   HG22  VAL  32          1HG2      VAL  32  -2.619  -3.133  -9.077
  219   HG23  VAL  32          2HG2      VAL  32  -3.416  -1.615  -8.631
  220    H    CYS  33           H        CYS  33  -2.934  -0.571  -5.124
  221    HA   CYS  33           HA       CYS  33  -3.140   1.521  -7.103
  222    HB2  CYS  33           2HB      CYS  33  -4.410   2.769  -5.598
  223    HB3  CYS  33           1HB      CYS  33  -4.665   1.186  -5.031
  224    H    VAL  34           H        VAL  34  -0.698   0.921  -4.531
  225    HA   VAL  34           HA       VAL  34   0.618   3.282  -5.508
  226    HB   VAL  34           HB       VAL  34   0.124   2.621  -2.965
  227   HG11  VAL  34          1HG1      VAL  34   2.629   1.198  -3.335
  228   HG12  VAL  34          2HG1      VAL  34   1.076   0.478  -3.003
  229   HG13  VAL  34          3HG1      VAL  34   1.834   1.555  -1.807
  230   HG21  VAL  34          3HG2      VAL  34   1.120   4.632  -3.670
  231   HG22  VAL  34          1HG2      VAL  34   2.652   3.803  -3.978
  232   HG23  VAL  34          2HG2      VAL  34   2.055   3.933  -2.315
  233    H    GLY  35           H        GLY  35   0.427   0.491  -6.654
  234    HA2  GLY  35           2HA      GLY  35   1.755  -1.122  -7.717
  235    HA3  GLY  35           1HA      GLY  35   2.888   0.195  -7.901
  236    H    VAL  36           H        VAL  36   1.889  -2.210  -5.361
  237    HA   VAL  36           HA       VAL  36   4.691  -2.694  -4.762
  238    HB   VAL  36           HB       VAL  36   2.171  -2.933  -3.075
  239   HG11  VAL  36          1HG1      VAL  36   3.635  -3.681  -1.177
  240   HG12  VAL  36          2HG1      VAL  36   4.982  -3.848  -2.337
  241   HG13  VAL  36          3HG1      VAL  36   3.518  -4.779  -2.524
  242   HG21  VAL  36          3HG2      VAL  36   2.936  -0.682  -3.198
  243   HG22  VAL  36          1HG2      VAL  36   4.573  -1.161  -2.755
  244   HG23  VAL  36          2HG2      VAL  36   3.246  -1.304  -1.597
  245    H    SER  37           H        SER  37   5.237  -5.169  -4.648
  246    HA   SER  37           HA       SER  37   3.250  -6.675  -5.990
  247    HB2  SER  37           2HB      SER  37   5.204  -8.251  -6.087
  248    HB3  SER  37           1HB      SER  37   5.486  -6.719  -6.934
  249    HG   SER  37           HG       SER  37   7.273  -7.203  -5.643
  250    HA   PRO  38           HA       PRO  38   1.845  -8.514  -2.206
  251    HB2  PRO  38           2HB      PRO  38   1.850 -11.212  -2.917
  252    HB3  PRO  38           1HB      PRO  38   0.562 -10.075  -3.317
  253    HG2  PRO  38           2HG      PRO  38   2.893 -10.961  -4.965
  254    HG3  PRO  38           1HG      PRO  38   1.197 -10.776  -5.470
  255    HD2  PRO  38           2HD      PRO  38   2.986  -8.936  -6.114
  256    HD3  PRO  38           1HD      PRO  38   1.396  -8.417  -5.548
  257    H    GLU  39           H        GLU  39   4.729  -9.694  -3.672
  258    HA   GLU  39           HA       GLU  39   5.636 -11.301  -1.487
  259    HB2  GLU  39           2HB      GLU  39   6.248 -11.817  -3.775
  260    HB3  GLU  39           1HB      GLU  39   7.045 -10.261  -3.931
  261    HG2  GLU  39           2HG      GLU  39   8.695 -10.905  -2.302
  262    HG3  GLU  39           1HG      GLU  39   7.879 -12.452  -2.060
  263    H    MET  40           H        MET  40   5.916  -7.931  -2.404
  264    HA   MET  40           HA       MET  40   8.303  -7.474  -0.908
  265    HB2  MET  40           2HB      MET  40   7.432  -5.907  -2.891
  266    HB3  MET  40           1HB      MET  40   6.282  -5.440  -1.709
  267    HG2  MET  40           2HG      MET  40   7.611  -4.271  -0.417
  268    HG3  MET  40           1HG      MET  40   9.071  -5.187  -0.793
  269    HE1  MET  40           3HE      MET  40   6.609  -3.456  -3.436
  270    HE2  MET  40           1HE      MET  40   7.329  -1.856  -3.533
  271    HE3  MET  40           2HE      MET  40   6.568  -2.368  -2.021
  272    H    ALA  41           H        ALA  41   4.902  -7.182  -0.415
  273    HA   ALA  41           HA       ALA  41   4.832  -5.696   1.867
  274    HB1  ALA  41           1HB      ALA  41   2.893  -6.113   0.474
  275    HB2  ALA  41           2HB      ALA  41   2.519  -6.585   2.137
  276    HB3  ALA  41           3HB      ALA  41   2.883  -7.810   0.937
  277    H    GLU  42           H        GLU  42   5.487  -9.096   1.545
  278    HA   GLU  42           HA       GLU  42   5.394  -9.503   4.476
  279    HB2  GLU  42           2HB      GLU  42   5.795 -11.638   2.345
  280    HB3  GLU  42           1HB      GLU  42   5.806 -11.915   4.075
  281    HG2  GLU  42           2HG      GLU  42   3.454 -11.033   4.121
  282    HG3  GLU  42           1HG      GLU  42   3.530 -11.082   2.354
  283    H    ASN  43           H        ASN  43   7.751  -8.681   2.253
  284    HA   ASN  43           HA       ASN  43   9.747  -9.940   3.967
  285    HB2  ASN  43           2HB      ASN  43   9.780  -9.606   1.017
  286    HB3  ASN  43           1HB      ASN  43  11.230  -9.961   1.947
  287   HD21  ASN  43          1HD2      ASN  43   9.898 -11.572  -0.080
  288   HD22  ASN  43          2HD2      ASN  43   9.465 -13.066   0.684
  289    H    GLU  44           H        GLU  44   9.029  -6.856   2.296
  290    HA   GLU  44           HA       GLU  44  11.433  -5.823   3.600
  291    HB2  GLU  44           2HB      GLU  44  10.654  -5.201   0.725
  292    HB3  GLU  44           1HB      GLU  44  12.029  -4.523   1.574
  293    HG2  GLU  44           2HG      GLU  44  12.938  -6.843   1.818
  294    HG3  GLU  44           1HG      GLU  44  11.611  -7.404   0.815
  295    H    ASP  45           H        ASP  45  11.382  -3.498   4.001
  296    HA   ASP  45           HA       ASP  45   8.838  -2.688   4.956
  297    HB2  ASP  45           2HB      ASP  45  11.383  -1.047   4.745
  298    HB3  ASP  45           1HB      ASP  45   9.958  -0.668   5.696
  299    H    TYR  46           H        TYR  46   7.356  -1.585   3.890
  300    HA   TYR  46           HA       TYR  46   7.980  -0.532   1.320
  301    HB2  TYR  46           2HB      TYR  46   5.721  -1.490   1.634
  302    HB3  TYR  46           1HB      TYR  46   5.351  -0.197   2.770
  303    HD1  TYR  46           2HD      TYR  46   6.766  -0.466  -0.653
  304    HD2  TYR  46           1HD      TYR  46   4.120   1.561   1.959
  305    HE1  TYR  46           2HE      TYR  46   6.159   1.062  -2.487
  306    HE2  TYR  46           1HE      TYR  46   3.483   3.121   0.087
  307    HH   TYR  46           HH       TYR  46   4.357   2.515  -3.127
  308    H    ILE  47           H        ILE  47   8.989   1.049   1.019
  309    HA   ILE  47           HA       ILE  47   8.747   3.547   2.577
  310    HB   ILE  47           HB       ILE  47  10.618   2.958   0.232
  311   HG12  ILE  47          2HG1      ILE  47  11.132   1.494   2.159
  312   HG13  ILE  47          1HG1      ILE  47  12.398   2.686   1.903
  313   HG21  ILE  47          1HG2      ILE  47  10.586   5.188   2.220
  314   HG22  ILE  47          2HG2      ILE  47  10.265   5.344   0.474
  315   HG23  ILE  47          3HG2      ILE  47  11.878   4.941   1.047
  316   HD11  ILE  47          3HD1      ILE  47  11.940   2.403   4.286
  317   HD12  ILE  47          1HD1      ILE  47  10.234   2.740   4.007
  318   HD13  ILE  47          2HD1      ILE  47  11.411   4.012   3.767
  319    H    CYS  48           H        CYS  48   7.610   5.501   1.579
  320    HA   CYS  48           HA       CYS  48   6.202   4.720  -0.842
  321    HB2  CYS  48           2HB      CYS  48   4.522   6.235  -0.188
  322    HB3  CYS  48           1HB      CYS  48   4.978   5.414   1.303
  323    H    ILE  49           H        ILE  49   5.601   6.888  -2.001
  324    HA   ILE  49           HA       ILE  49   7.803   8.041  -3.242
  325    HB   ILE  49           HB       ILE  49   5.661   8.070  -4.312
  326   HG12  ILE  49          2HG1      ILE  49   6.470  10.874  -3.633
  327   HG13  ILE  49          1HG1      ILE  49   7.266   9.846  -4.819
  328   HG21  ILE  49          1HG2      ILE  49   4.723   9.900  -2.090
  329   HG22  ILE  49          2HG2      ILE  49   4.183   8.258  -2.381
  330   HG23  ILE  49          3HG2      ILE  49   3.806   9.529  -3.534
  331   HD11  ILE  49          3HD1      ILE  49   5.260   9.762  -6.114
  332   HD12  ILE  49          1HD1      ILE  49   5.715  11.453  -5.878
  333   HD13  ILE  49          2HD1      ILE  49   4.400  10.723  -4.929
  334    H    ASN  50           H        ASN  50   5.969   9.297  -0.469
  335    HA   ASN  50           HA       ASN  50   7.472  11.754  -0.353
  336    HB2  ASN  50           2HB      ASN  50   5.562  10.564   1.685
  337    HB3  ASN  50           1HB      ASN  50   6.228  12.182   1.744
  338   HD21  ASN  50          1HD2      ASN  50   5.483  13.742   0.328
  339   HD22  ASN  50          2HD2      ASN  50   4.036  13.512  -0.593
  340    H    CYS  51           H        CYS  51   7.677   8.628   1.075
  341    HA   CYS  51           HA       CYS  51   9.559   9.414   3.118
  342    HB2  CYS  51           2HB      CYS  51   8.707   6.699   2.116
  343    HB3  CYS  51           1HB      CYS  51  10.023   6.891   3.239
  344    H    ALA  52           H        ALA  52   9.750   8.492  -0.169
  345    HA   ALA  52           HA       ALA  52  12.562   7.796  -0.003
  346    HB1  ALA  52           3HB      ALA  52  11.177   6.530  -1.508
  347    HB2  ALA  52           1HB      ALA  52  12.421   7.372  -2.433
  348    HB3  ALA  52           2HB      ALA  52  10.769   7.980  -2.432
  Start of MODEL   11
    1    HA   SER   1           HA       SER   1 -12.464   5.545   3.923
    2    HB2  SER   1           2HB      SER   1 -14.322   7.294   3.985
    3    HB3  SER   1           1HB      SER   1 -13.804   7.838   2.397
    4    HG   SER   1           HG       SER   1 -15.414   5.851   3.072
    5    H    VAL   2           H        VAL   2 -10.243   7.503   2.714
    6    HA   VAL   2           HA       VAL   2  -9.788   5.918   0.284
    7    HB   VAL   2           HB       VAL   2  -9.133   8.883   0.591
    8   HG11  VAL   2          1HG1      VAL   2  -7.599   7.704  -0.876
    9   HG12  VAL   2          2HG1      VAL   2  -8.607   8.823  -1.788
   10   HG13  VAL   2          3HG1      VAL   2  -8.949   7.094  -1.838
   11   HG21  VAL   2          3HG2      VAL   2 -11.320   7.628  -1.057
   12   HG22  VAL   2          1HG2      VAL   2 -10.893   9.342  -1.088
   13   HG23  VAL   2          2HG2      VAL   2 -11.570   8.630   0.382
   14    H    CYS   3           H        CYS   3  -7.564   5.238   0.129
   15    HA   CYS   3           HA       CYS   3  -6.087   5.577   2.586
   16    HB2  CYS   3           2HB      CYS   3  -4.964   3.653   1.976
   17    HB3  CYS   3           1HB      CYS   3  -6.368   3.433   0.924
   18    H    ALA   4           H        ALA   4  -3.486   5.574   1.817
   19    HA   ALA   4           HA       ALA   4  -3.128   8.182   0.526
   20    HB1  ALA   4           1HB      ALA   4  -0.845   8.071   1.482
   21    HB2  ALA   4           2HB      ALA   4  -1.221   6.493   2.160
   22    HB3  ALA   4           3HB      ALA   4  -2.077   7.925   2.738
   23    H    ALA   5           H        ALA   5  -2.611   8.065  -1.619
   24    HA   ALA   5           HA       ALA   5  -0.297   6.667  -2.475
   25    HB1  ALA   5           1HB      ALA   5  -1.323   5.199  -4.208
   26    HB2  ALA   5           2HB      ALA   5  -2.910   5.715  -3.716
   27    HB3  ALA   5           3HB      ALA   5  -1.937   4.744  -2.624
   28    H    GLN   6           H        GLN   6   0.609   7.775  -4.249
   29    HA   GLN   6           HA       GLN   6  -0.164  10.081  -5.293
   30    HB2  GLN   6           2HB      GLN   6   1.972   8.798  -5.686
   31    HB3  GLN   6           1HB      GLN   6   1.120   7.805  -6.851
   32    HG2  GLN   6           2HG      GLN   6   0.731   9.933  -8.182
   33    HG3  GLN   6           1HG      GLN   6   1.782  10.734  -7.041
   34   HE21  GLN   6          1HE2      GLN   6   1.613   8.404  -9.606
   35   HE22  GLN   6          2HE2      GLN   6   3.317   8.374  -9.898
   36    H    ASN   7           H        ASN   7  -1.317   7.092  -6.102
   37    HA   ASN   7           HA       ASN   7  -3.752   8.156  -7.354
   38    HB2  ASN   7           2HB      ASN   7  -2.322   7.876  -9.328
   39    HB3  ASN   7           1HB      ASN   7  -2.114   6.166  -8.965
   40   HD21  ASN   7          1HD2      ASN   7  -3.045   5.539 -10.937
   41   HD22  ASN   7          2HD2      ASN   7  -4.731   5.670 -11.248
   42    H    CYS   8           H        CYS   8  -5.209   7.278  -6.015
   43    HA   CYS   8           HA       CYS   8  -4.828   4.495  -5.482
   44    HB2  CYS   8           2HB      CYS   8  -4.975   5.775  -3.424
   45    HB3  CYS   8           1HB      CYS   8  -6.530   6.441  -3.920
   46    H    GLN   9           H        GLN   9  -5.983   3.113  -6.336
   47    HA   GLN   9           HA       GLN   9  -8.178   3.580  -8.144
   48    HB2  GLN   9           2HB      GLN   9  -7.101   1.027  -6.953
   49    HB3  GLN   9           1HB      GLN   9  -8.143   1.085  -8.362
   50    HG2  GLN   9           2HG      GLN   9  -6.343   2.292  -9.567
   51    HG3  GLN   9           1HG      GLN   9  -5.362   2.228  -8.123
   52   HE21  GLN   9          1HE2      GLN   9  -3.771   1.050  -9.111
   53   HE22  GLN   9          2HE2      GLN   9  -3.928  -0.607  -9.543
   54    H    ARG  10           H        ARG  10  -7.980   3.431  -4.872
   55    HA   ARG  10           HA       ARG  10  -9.189   2.847  -3.053
   56    HB2  ARG  10           2HB      ARG  10 -10.328   4.874  -4.072
   57    HB3  ARG  10           1HB      ARG  10 -11.505   3.775  -4.769
   58    HG2  ARG  10           2HG      ARG  10 -12.191   3.077  -2.510
   59    HG3  ARG  10           1HG      ARG  10 -10.994   4.173  -1.821
   60    HD2  ARG  10           2HD      ARG  10 -12.141   6.063  -2.898
   61    HD3  ARG  10           1HD      ARG  10 -13.353   4.956  -3.528
   62    HE   ARG  10           HE       ARG  10 -12.876   5.229  -0.634
   63   HH11  ARG  10          1HH1      ARG  10 -15.133   5.399  -3.388
   64   HH12  ARG  10          2HH1      ARG  10 -16.484   5.656  -2.424
   65   HH21  ARG  10          1HH2      ARG  10 -14.818   5.649   0.688
   66   HH22  ARG  10          2HH2      ARG  10 -16.305   5.787  -0.107
   67    HA   PRO  11           HA       PRO  11 -10.969  -1.169  -4.932
   68    HB2  PRO  11           2HB      PRO  11  -8.583  -2.548  -4.012
   69    HB3  PRO  11           1HB      PRO  11  -9.251  -2.487  -5.659
   70    HG2  PRO  11           2HG      PRO  11  -6.918  -1.302  -4.988
   71    HG3  PRO  11           1HG      PRO  11  -8.020  -0.606  -6.182
   72    HD2  PRO  11           2HD      PRO  11  -7.702   0.094  -3.287
   73    HD3  PRO  11           1HD      PRO  11  -7.803   1.180  -4.696
   74    H    CYS  12           H        CYS  12 -12.120  -2.551  -3.663
   75    HA   CYS  12           HA       CYS  12 -11.279  -2.873  -0.904
   76    HB2  CYS  12           2HB      CYS  12 -12.953  -1.096  -0.949
   77    HB3  CYS  12           1HB      CYS  12 -14.073  -2.141  -1.810
   78    HG   CYS  12           HG       CYS  12 -15.149  -3.153   0.295
   79    H    LYS  13           H        LYS  13 -11.016  -4.960  -0.565
   80    HA   LYS  13           HA       LYS  13 -13.075  -6.832  -1.377
   81    HB2  LYS  13           2HB      LYS  13 -10.089  -7.278  -1.709
   82    HB3  LYS  13           1HB      LYS  13 -11.298  -8.541  -1.767
   83    HG2  LYS  13           2HG      LYS  13 -12.283  -7.493  -3.736
   84    HG3  LYS  13           1HG      LYS  13 -11.029  -6.255  -3.697
   85    HD2  LYS  13           2HD      LYS  13  -9.268  -7.904  -3.988
   86    HD3  LYS  13           1HD      LYS  13 -10.435  -9.222  -3.891
   87    HE2  LYS  13           2HE      LYS  13 -11.454  -8.511  -5.985
   88    HE3  LYS  13           1HE      LYS  13 -10.348  -7.139  -6.085
   89    HZ1  LYS  13           3HZ      LYS  13  -9.520  -9.996  -6.102
   90    HZ2  LYS  13           1HZ      LYS  13  -8.498  -8.676  -6.325
   91    HZ3  LYS  13           2HZ      LYS  13  -9.653  -9.045  -7.473
   92    H    ASP  14           H        ASP  14 -13.102  -8.689   0.064
   93    HA   ASP  14           HA       ASP  14 -12.191  -8.046   2.726
   94    HB2  ASP  14           2HB      ASP  14 -13.517 -10.592   1.703
   95    HB3  ASP  14           1HB      ASP  14 -13.257 -10.204   3.390
   96    H    LYS  15           H        LYS  15 -10.765  -9.169   0.102
   97    HA   LYS  15           HA       LYS  15  -8.747 -10.728   1.549
   98    HB2  LYS  15           2HB      LYS  15  -9.708 -11.269  -1.265
   99    HB3  LYS  15           1HB      LYS  15  -8.418 -12.132  -0.442
  100    HG2  LYS  15           2HG      LYS  15 -10.083 -12.963   1.191
  101    HG3  LYS  15           1HG      LYS  15 -11.349 -12.148   0.270
  102    HD2  LYS  15           2HD      LYS  15 -10.793 -13.466  -1.699
  103    HD3  LYS  15           1HD      LYS  15  -9.501 -14.281  -0.816
  104    HE2  LYS  15           2HE      LYS  15 -11.268 -15.101   0.775
  105    HE3  LYS  15           1HE      LYS  15 -12.466 -14.419  -0.306
  106    HZ1  LYS  15           3HZ      LYS  15 -12.131 -16.770  -0.721
  107    HZ2  LYS  15           1HZ      LYS  15 -10.497 -16.511  -1.027
  108    HZ3  LYS  15           2HZ      LYS  15 -11.665 -15.883  -2.084
  109    H    VAL  16           H        VAL  16  -7.587  -8.737   1.701
  110    HA   VAL  16           HA       VAL  16  -5.674  -8.415  -0.245
  111    HB   VAL  16           HB       VAL  16  -7.320  -7.228  -1.633
  112   HG11  VAL  16          1HG1      VAL  16  -7.645  -5.446   0.732
  113   HG12  VAL  16          2HG1      VAL  16  -8.895  -6.517   0.044
  114   HG13  VAL  16          3HG1      VAL  16  -8.325  -5.112  -0.862
  115   HG21  VAL  16          3HG2      VAL  16  -6.116  -5.124  -1.974
  116   HG22  VAL  16          1HG2      VAL  16  -4.969  -6.427  -1.644
  117   HG23  VAL  16          2HG2      VAL  16  -5.391  -5.287  -0.373
  118    H    ASP  17           H        ASP  17  -4.189  -8.260   1.027
  119    HA   ASP  17           HA       ASP  17  -4.114  -6.867   3.470
  120    HB2  ASP  17           2HB      ASP  17  -1.769  -7.910   1.851
  121    HB3  ASP  17           1HB      ASP  17  -1.733  -7.452   3.551
  122    H    TRP  18           H        TRP  18  -2.530  -5.199   4.045
  123    HA   TRP  18           HA       TRP  18  -2.391  -3.030   2.038
  124    HB2  TRP  18           2HB      TRP  18  -3.223  -2.843   4.939
  125    HB3  TRP  18           1HB      TRP  18  -2.910  -1.464   3.909
  126    HD1  TRP  18           HD       TRP  18  -5.172  -4.597   3.440
  127    HE1  TRP  18           1HE      TRP  18  -7.464  -3.833   2.706
  128    HE3  TRP  18           3HE      TRP  18  -4.314   0.431   3.506
  129    HZ2  TRP  18           2HZ      TRP  18  -8.795  -1.338   2.236
  130    HZ3  TRP  18           3HZ      TRP  18  -6.138   1.938   2.915
  131    HH2  TRP  18           HH       TRP  18  -8.344   1.077   2.291
  132    H    VAL  19           H        VAL  19  -0.638  -1.279   2.648
  133    HA   VAL  19           HA       VAL  19   1.351  -2.473   4.317
  134    HB   VAL  19           HB       VAL  19   3.103  -1.703   2.691
  135   HG11  VAL  19          1HG1      VAL  19   2.457  -4.029   2.716
  136   HG12  VAL  19          2HG1      VAL  19   2.850  -3.492   1.077
  137   HG13  VAL  19          3HG1      VAL  19   1.164  -3.687   1.561
  138   HG21  VAL  19          3HG2      VAL  19   0.754  -1.248   0.829
  139   HG22  VAL  19          1HG2      VAL  19   2.466  -1.205   0.376
  140   HG23  VAL  19          2HG2      VAL  19   1.822  -0.001   1.495
  141    H    GLN  20           H        GLN  20   2.304  -1.072   5.558
  142    HA   GLN  20           HA       GLN  20   1.467   1.749   5.480
  143    HB2  GLN  20           2HB      GLN  20   1.109   0.479   7.598
  144    HB3  GLN  20           1HB      GLN  20   2.842   0.202   7.696
  145    HG2  GLN  20           2HG      GLN  20   3.205   2.631   7.898
  146    HG3  GLN  20           1HG      GLN  20   1.469   2.873   7.811
  147   HE21  GLN  20          1HE2      GLN  20   3.368   3.545   9.897
  148   HE22  GLN  20          2HE2      GLN  20   2.802   2.836  11.338
  149    H    CYS  21           H        CYS  21   3.013   3.409   5.196
  150    HA   CYS  21           HA       CYS  21   5.669   2.409   4.563
  151    HB2  CYS  21           2HB      CYS  21   6.203   4.643   3.564
  152    HB3  CYS  21           1HB      CYS  21   4.685   4.043   2.966
  153    H    ASP  22           H        ASP  22   6.890   2.007   6.063
  154    HA   ASP  22           HA       ASP  22   6.726   3.299   8.651
  155    HB2  ASP  22           2HB      ASP  22   8.473   1.056   7.624
  156    HB3  ASP  22           1HB      ASP  22   8.486   1.630   9.291
  157    H    GLY  23           H        GLY  23   7.757   4.685   6.267
  158    HA2  GLY  23           2HA      GLY  23  10.545   5.166   6.991
  159    HA3  GLY  23           1HA      GLY  23   9.771   5.743   5.517
  160    H    GLY  24           H        GLY  24   7.443   6.500   7.598
  161    HA2  GLY  24           2HA      GLY  24   8.104   8.317   9.398
  162    HA3  GLY  24           1HA      GLY  24   8.588   9.165   7.957
  163    H    CYS  25           H        CYS  25   5.977   7.799   6.672
  164    HA   CYS  25           HA       CYS  25   4.317  10.104   7.441
  165    HB2  CYS  25           2HB      CYS  25   3.562   7.992   5.411
  166    HB3  CYS  25           1HB      CYS  25   2.912   9.626   5.559
  167    H    ASP  26           H        ASP  26   4.513   6.686   7.841
  168    HA   ASP  26           HA       ASP  26   3.276   5.055   8.811
  169    HB2  ASP  26           2HB      ASP  26   2.308   7.389  10.489
  170    HB3  ASP  26           1HB      ASP  26   1.882   5.722  10.815
  171    H    GLU  27           H        GLU  27   2.131   6.453   6.516
  172    HA   GLU  27           HA       GLU  27  -0.717   6.187   6.954
  173    HB2  GLU  27           2HB      GLU  27   0.822   7.062   4.499
  174    HB3  GLU  27           1HB      GLU  27  -0.934   6.955   4.589
  175    HG2  GLU  27           2HG      GLU  27  -0.911   8.614   6.390
  176    HG3  GLU  27           1HG      GLU  27   0.848   8.749   6.235
  177    H    TRP  28           H        TRP  28  -1.973   5.026   5.370
  178    HA   TRP  28           HA       TRP  28  -0.753   2.391   4.864
  179    HB2  TRP  28           2HB      TRP  28  -3.614   3.055   5.550
  180    HB3  TRP  28           1HB      TRP  28  -3.088   1.462   5.018
  181    HD1  TRP  28           HD       TRP  28  -2.649   3.896   7.981
  182    HE1  TRP  28           1HE      TRP  28  -1.890   2.535  10.025
  183    HE3  TRP  28           3HE      TRP  28  -2.015  -0.653   5.742
  184    HZ2  TRP  28           2HZ      TRP  28  -1.153  -0.116  10.623
  185    HZ3  TRP  28           3HZ      TRP  28  -1.264  -2.560   7.128
  186    HH2  TRP  28           HH       TRP  28  -0.861  -2.296   9.511
  187    H    PHE  29           H        PHE  29  -0.689   1.608   2.917
  188    HA   PHE  29           HA       PHE  29  -2.082   3.023   0.730
  189    HB2  PHE  29           2HB      PHE  29   0.611   1.584   0.588
  190    HB3  PHE  29           1HB      PHE  29  -0.160   2.521  -0.666
  191    HD1  PHE  29           1HD      PHE  29   1.025   2.976   2.831
  192    HD2  PHE  29           2HD      PHE  29   0.636   4.679  -1.043
  193    HE1  PHE  29           1HE      PHE  29   2.283   4.927   3.574
  194    HE2  PHE  29           2HE      PHE  29   1.891   6.639  -0.307
  195    HZ   PHE  29           HZ       PHE  29   2.728   6.752   2.057
  196    H    HIS  30           H        HIS  30  -2.550   1.653  -1.088
  197    HA   HIS  30           HA       HIS  30  -3.173  -1.165  -0.376
  198    HB2  HIS  30           2HB      HIS  30  -4.000   0.624  -2.595
  199    HB3  HIS  30           1HB      HIS  30  -4.307  -1.037  -2.875
  200    HD2  HIS  30           2HD      HIS  30  -6.311  -1.986  -0.805
  201    HE1  HIS  30           1HE      HIS  30  -8.019   1.890  -0.758
  202    HE2  HIS  30           2HE      HIS  30  -8.449  -0.571  -0.514
  203    H    GLN  31           H        GLN  31  -2.044  -2.788  -1.233
  204    HA   GLN  31           HA       GLN  31   0.389  -2.430  -2.457
  205    HB2  GLN  31           2HB      GLN  31  -1.375  -4.866  -2.390
  206    HB3  GLN  31           1HB      GLN  31   0.242  -4.865  -3.090
  207    HG2  GLN  31           2HG      GLN  31   1.265  -4.449  -1.073
  208    HG3  GLN  31           1HG      GLN  31  -0.179  -3.896  -0.278
  209   HE21  GLN  31          1HE2      GLN  31  -0.046  -6.811  -2.256
  210   HE22  GLN  31          2HE2      GLN  31  -0.223  -7.882  -0.901
  211    H    VAL  32           H        VAL  32  -2.701  -2.939  -4.063
  212    HA   VAL  32           HA       VAL  32  -1.458  -3.050  -6.644
  213    HB   VAL  32           HB       VAL  32  -3.643  -4.166  -6.341
  214   HG11  VAL  32          1HG1      VAL  32  -4.605  -1.377  -6.032
  215   HG12  VAL  32          2HG1      VAL  32  -4.526  -2.558  -4.735
  216   HG13  VAL  32          3HG1      VAL  32  -5.685  -2.780  -6.093
  217   HG21  VAL  32          3HG2      VAL  32  -4.796  -3.232  -8.309
  218   HG22  VAL  32          1HG2      VAL  32  -3.044  -3.410  -8.581
  219   HG23  VAL  32          2HG2      VAL  32  -3.739  -1.830  -8.186
  220    H    CYS  33           H        CYS  33  -3.008  -0.629  -4.824
  221    HA   CYS  33           HA       CYS  33  -3.131   1.345  -6.947
  222    HB2  CYS  33           2HB      CYS  33  -4.234   2.818  -5.494
  223    HB3  CYS  33           1HB      CYS  33  -4.718   1.264  -4.943
  224    H    VAL  34           H        VAL  34  -0.724   0.730  -4.411
  225    HA   VAL  34           HA       VAL  34   0.647   3.044  -5.436
  226    HB   VAL  34           HB       VAL  34   0.227   2.416  -2.847
  227   HG11  VAL  34          1HG1      VAL  34   1.098   0.258  -2.874
  228   HG12  VAL  34          2HG1      VAL  34   1.924   1.364  -1.764
  229   HG13  VAL  34          3HG1      VAL  34   2.676   0.941  -3.287
  230   HG21  VAL  34          3HG2      VAL  34   2.760   3.497  -3.949
  231   HG22  VAL  34          1HG2      VAL  34   2.098   3.753  -2.315
  232   HG23  VAL  34          2HG2      VAL  34   1.211   4.361  -3.713
  233    H    GLY  35           H        GLY  35   0.341   0.213  -6.538
  234    HA2  GLY  35           2HA      GLY  35   1.618  -1.405  -7.656
  235    HA3  GLY  35           1HA      GLY  35   2.741  -0.094  -7.885
  236    H    VAL  36           H        VAL  36   1.813  -2.316  -5.174
  237    HA   VAL  36           HA       VAL  36   4.635  -2.838  -4.702
  238    HB   VAL  36           HB       VAL  36   2.152  -3.162  -2.987
  239   HG11  VAL  36          1HG1      VAL  36   3.685  -3.866  -1.160
  240   HG12  VAL  36          2HG1      VAL  36   5.002  -4.040  -2.373
  241   HG13  VAL  36          3HG1      VAL  36   3.552  -5.023  -2.471
  242   HG21  VAL  36          3HG2      VAL  36   2.876  -0.936  -3.051
  243   HG22  VAL  36          1HG2      VAL  36   4.551  -1.391  -2.685
  244   HG23  VAL  36          2HG2      VAL  36   3.296  -1.631  -1.475
  245    H    SER  37           H        SER  37   5.266  -5.235  -4.654
  246    HA   SER  37           HA       SER  37   3.382  -6.811  -6.043
  247    HB2  SER  37           2HB      SER  37   5.499  -8.183  -6.294
  248    HB3  SER  37           1HB      SER  37   5.576  -6.574  -7.039
  249    HG   SER  37           HG       SER  37   7.416  -6.735  -5.880
  250    HA   PRO  38           HA       PRO  38   2.679  -9.202  -2.256
  251    HB2  PRO  38           2HB      PRO  38   3.088 -11.775  -3.193
  252    HB3  PRO  38           1HB      PRO  38   1.578 -10.890  -3.343
  253    HG2  PRO  38           2HG      PRO  38   3.773 -11.236  -5.301
  254    HG3  PRO  38           1HG      PRO  38   2.019 -11.288  -5.601
  255    HD2  PRO  38           2HD      PRO  38   3.465  -9.151  -6.262
  256    HD3  PRO  38           1HD      PRO  38   1.851  -8.948  -5.547
  257    H    GLU  39           H        GLU  39   5.603  -9.627  -4.166
  258    HA   GLU  39           HA       GLU  39   7.001 -11.228  -2.292
  259    HB2  GLU  39           2HB      GLU  39   7.490 -11.214  -4.733
  260    HB3  GLU  39           1HB      GLU  39   7.992  -9.541  -4.607
  261    HG2  GLU  39           2HG      GLU  39   9.849 -10.176  -3.173
  262    HG3  GLU  39           1HG      GLU  39   9.328 -11.856  -3.221
  263    H    MET  40           H        MET  40   6.595  -7.767  -2.869
  264    HA   MET  40           HA       MET  40   8.769  -7.054  -1.159
  265    HB2  MET  40           2HB      MET  40   7.772  -5.492  -3.094
  266    HB3  MET  40           1HB      MET  40   6.536  -5.274  -1.948
  267    HG2  MET  40           2HG      MET  40   7.657  -4.095  -0.470
  268    HG3  MET  40           1HG      MET  40   9.228  -4.770  -0.887
  269    HE1  MET  40           3HE      MET  40   6.420  -2.165  -1.932
  270    HE2  MET  40           1HE      MET  40   6.561  -3.174  -3.373
  271    HE3  MET  40           2HE      MET  40   7.097  -1.502  -3.419
  272    H    ALA  41           H        ALA  41   5.280  -7.096  -0.832
  273    HA   ALA  41           HA       ALA  41   5.101  -5.819   1.659
  274    HB1  ALA  41           1HB      ALA  41   3.196  -6.166   0.138
  275    HB2  ALA  41           2HB      ALA  41   2.842  -6.660   1.787
  276    HB3  ALA  41           3HB      ALA  41   3.185  -7.879   0.559
  277    H    GLU  42           H        GLU  42   5.325  -9.242   0.955
  278    HA   GLU  42           HA       GLU  42   5.152  -9.942   3.737
  279    HB2  GLU  42           2HB      GLU  42   5.905 -11.652   1.379
  280    HB3  GLU  42           1HB      GLU  42   5.583 -12.243   3.001
  281    HG2  GLU  42           2HG      GLU  42   3.296 -11.411   2.862
  282    HG3  GLU  42           1HG      GLU  42   3.614 -10.837   1.217
  283    H    ASN  43           H        ASN  43   7.781  -8.996   1.740
  284    HA   ASN  43           HA       ASN  43   9.593 -10.309   3.612
  285    HB2  ASN  43           2HB      ASN  43   9.914  -9.813   0.707
  286    HB3  ASN  43           1HB      ASN  43  11.299 -10.149   1.741
  287   HD21  ASN  43          1HD2      ASN  43  10.135 -11.677  -0.478
  288   HD22  ASN  43          2HD2      ASN  43   9.778 -13.238   0.195
  289    H    GLU  44           H        GLU  44   8.976  -7.106   2.191
  290    HA   GLU  44           HA       GLU  44  11.327  -6.229   3.705
  291    HB2  GLU  44           2HB      GLU  44  10.766  -5.367   0.869
  292    HB3  GLU  44           1HB      GLU  44  12.017  -4.698   1.914
  293    HG2  GLU  44           2HG      GLU  44  13.023  -6.957   2.067
  294    HG3  GLU  44           1HG      GLU  44  11.836  -7.531   0.892
  295    H    ASP  45           H        ASP  45  11.506  -3.886   3.873
  296    HA   ASP  45           HA       ASP  45   9.181  -2.844   5.171
  297    HB2  ASP  45           2HB      ASP  45  11.837  -1.518   4.591
  298    HB3  ASP  45           1HB      ASP  45  10.659  -0.967   5.752
  299    H    TYR  46           H        TYR  46   7.635  -1.855   4.099
  300    HA   TYR  46           HA       TYR  46   8.015  -0.745   1.510
  301    HB2  TYR  46           2HB      TYR  46   5.850  -1.689   1.858
  302    HB3  TYR  46           1HB      TYR  46   5.554  -0.686   3.284
  303    HD1  TYR  46           1HD      TYR  46   5.855  -0.663  -0.399
  304    HD2  TYR  46           2HD      TYR  46   4.684   1.472   3.050
  305    HE1  TYR  46           1HE      TYR  46   4.745   1.111  -1.830
  306    HE2  TYR  46           2HE      TYR  46   3.630   3.191   1.611
  307    HH   TYR  46           HH       TYR  46   3.133   2.715  -1.597
  308    H    ILE  47           H        ILE  47   8.835   0.969   1.063
  309    HA   ILE  47           HA       ILE  47   8.648   3.437   2.706
  310    HB   ILE  47           HB       ILE  47  10.538   2.830   0.382
  311   HG12  ILE  47          2HG1      ILE  47  11.094   1.409   2.292
  312   HG13  ILE  47          1HG1      ILE  47  12.328   2.640   2.075
  313   HG21  ILE  47          1HG2      ILE  47  10.167   5.200   0.569
  314   HG22  ILE  47          2HG2      ILE  47  11.804   4.851   1.100
  315   HG23  ILE  47          3HG2      ILE  47  10.512   5.138   2.291
  316   HD11  ILE  47          3HD1      ILE  47  11.348   3.932   3.935
  317   HD12  ILE  47          1HD1      ILE  47  11.838   2.312   4.423
  318   HD13  ILE  47          2HD1      ILE  47  10.141   2.670   4.152
  319    H    CYS  48           H        CYS  48   7.822   5.495   1.524
  320    HA   CYS  48           HA       CYS  48   6.332   4.697  -0.855
  321    HB2  CYS  48           2HB      CYS  48   4.670   6.254  -0.259
  322    HB3  CYS  48           1HB      CYS  48   5.055   5.464   1.266
  323    H    ILE  49           H        ILE  49   5.841   6.794  -2.099
  324    HA   ILE  49           HA       ILE  49   8.128   7.910  -3.230
  325    HB   ILE  49           HB       ILE  49   6.065   7.857  -4.414
  326   HG12  ILE  49          2HG1      ILE  49   6.767  10.715  -3.885
  327   HG13  ILE  49          1HG1      ILE  49   7.707   9.635  -4.906
  328   HG21  ILE  49          1HG2      ILE  49   4.475   8.112  -2.632
  329   HG22  ILE  49          2HG2      ILE  49   4.142   9.311  -3.881
  330   HG23  ILE  49          3HG2      ILE  49   4.960   9.794  -2.389
  331   HD11  ILE  49          3HD1      ILE  49   4.816  10.348  -5.440
  332   HD12  ILE  49          1HD1      ILE  49   5.903   9.368  -6.395
  333   HD13  ILE  49          2HD1      ILE  49   6.208  11.100  -6.235
  334    H    ASN  50           H        ASN  50   6.148   9.239  -0.602
  335    HA   ASN  50           HA       ASN  50   7.626  11.693  -0.516
  336    HB2  ASN  50           2HB      ASN  50   5.617  10.560   1.462
  337    HB3  ASN  50           1HB      ASN  50   6.332  12.154   1.584
  338   HD21  ASN  50          1HD2      ASN  50   5.679  13.770   0.133
  339   HD22  ASN  50          2HD2      ASN  50   4.272  13.598  -0.822
  340    H    CYS  51           H        CYS  51   7.741   8.640   1.126
  341    HA   CYS  51           HA       CYS  51   9.667   9.463   3.096
  342    HB2  CYS  51           2HB      CYS  51   8.762   6.724   2.185
  343    HB3  CYS  51           1HB      CYS  51  10.055   6.939   3.341
  344    H    ALA  52           H        ALA  52   9.779   8.443  -0.178
  345    HA   ALA  52           HA       ALA  52  12.573   7.733  -0.034
  346    HB1  ALA  52           3HB      ALA  52  12.370   7.155  -2.430
  347    HB2  ALA  52           1HB      ALA  52  10.720   7.792  -2.408
  348    HB3  ALA  52           2HB      ALA  52  11.146   6.384  -1.422
  Start of MODEL   12
    1    HA   SER   1           HA       SER   1 -11.811   6.418   3.688
    2    HB2  SER   1           2HB      SER   1 -13.200   4.426   4.369
    3    HB3  SER   1           1HB      SER   1 -12.838   3.702   2.803
    4    HG   SER   1           HG       SER   1 -11.371   3.730   5.067
    5    H    VAL   2           H        VAL   2 -10.319   7.321   2.353
    6    HA   VAL   2           HA       VAL   2  -9.565   5.827  -0.044
    7    HB   VAL   2           HB       VAL   2  -9.286   8.819   0.455
    8   HG11  VAL   2          1HG1      VAL   2  -7.512   7.993  -0.931
    9   HG12  VAL   2          2HG1      VAL   2  -8.612   8.963  -1.918
   10   HG13  VAL   2          3HG1      VAL   2  -8.655   7.203  -2.012
   11   HG21  VAL   2          3HG2      VAL   2 -11.629   8.205   0.066
   12   HG22  VAL   2          1HG2      VAL   2 -11.166   7.407  -1.434
   13   HG23  VAL   2          2HG2      VAL   2 -10.989   9.154  -1.286
   14    H    CYS   3           H        CYS   3  -7.309   5.401  -0.199
   15    HA   CYS   3           HA       CYS   3  -5.978   5.798   2.353
   16    HB2  CYS   3           2HB      CYS   3  -4.876   3.820   1.942
   17    HB3  CYS   3           1HB      CYS   3  -6.245   3.573   0.860
   18    H    ALA   4           H        ALA   4  -3.377   5.685   1.654
   19    HA   ALA   4           HA       ALA   4  -2.925   8.283   0.379
   20    HB1  ALA   4           1HB      ALA   4  -1.027   6.499   1.923
   21    HB2  ALA   4           2HB      ALA   4  -1.853   7.922   2.572
   22    HB3  ALA   4           3HB      ALA   4  -0.648   8.098   1.293
   23    H    ALA   5           H        ALA   5  -2.518   8.213  -1.748
   24    HA   ALA   5           HA       ALA   5  -0.229   6.966  -2.818
   25    HB1  ALA   5           1HB      ALA   5  -1.684   4.913  -2.918
   26    HB2  ALA   5           2HB      ALA   5  -1.330   5.505  -4.520
   27    HB3  ALA   5           3HB      ALA   5  -2.892   5.846  -3.794
   28    H    GLN   6           H        GLN   6   0.360   8.088  -4.703
   29    HA   GLN   6           HA       GLN   6  -0.622  10.413  -5.517
   30    HB2  GLN   6           2HB      GLN   6   0.592   8.198  -7.189
   31    HB3  GLN   6           1HB      GLN   6   0.401   9.836  -7.775
   32    HG2  GLN   6           2HG      GLN   6   1.989  10.599  -6.162
   33    HG3  GLN   6           1HG      GLN   6   1.980   9.037  -5.355
   34   HE21  GLN   6          1HE2      GLN   6   2.994  10.735  -8.212
   35   HE22  GLN   6          2HE2      GLN   6   4.144   9.560  -8.742
   36    H    ASN   7           H        ASN   7  -1.583   7.383  -6.703
   37    HA   ASN   7           HA       ASN   7  -4.259   8.461  -7.320
   38    HB2  ASN   7           2HB      ASN   7  -3.085   8.431  -9.516
   39    HB3  ASN   7           1HB      ASN   7  -2.871   6.683  -9.327
   40   HD21  ASN   7          1HD2      ASN   7  -4.649   5.321  -9.685
   41   HD22  ASN   7          2HD2      ASN   7  -6.113   5.909 -10.389
   42    H    CYS   8           H        CYS   8  -5.381   7.469  -5.771
   43    HA   CYS   8           HA       CYS   8  -4.898   4.667  -5.498
   44    HB2  CYS   8           2HB      CYS   8  -4.979   5.829  -3.385
   45    HB3  CYS   8           1HB      CYS   8  -6.588   6.479  -3.754
   46    H    GLN   9           H        GLN   9  -6.004   3.267  -6.447
   47    HA   GLN   9           HA       GLN   9  -8.237   3.749  -8.131
   48    HB2  GLN   9           2HB      GLN   9  -7.102   1.161  -7.073
   49    HB3  GLN   9           1HB      GLN   9  -8.135   1.304  -8.470
   50    HG2  GLN   9           2HG      GLN   9  -6.399   2.605  -9.622
   51    HG3  GLN   9           1HG      GLN   9  -5.377   2.480  -8.194
   52   HE21  GLN   9          1HE2      GLN   9  -3.738   1.408  -9.282
   53   HE22  GLN   9          2HE2      GLN   9  -3.906  -0.203  -9.832
   54    H    ARG  10           H        ARG  10  -8.011   3.429  -4.856
   55    HA   ARG  10           HA       ARG  10  -9.211   2.727  -3.063
   56    HB2  ARG  10           2HB      ARG  10 -10.445   4.747  -3.956
   57    HB3  ARG  10           1HB      ARG  10 -11.570   3.639  -4.722
   58    HG2  ARG  10           2HG      ARG  10 -12.182   2.728  -2.534
   59    HG3  ARG  10           1HG      ARG  10 -11.054   3.827  -1.746
   60    HD2  ARG  10           2HD      ARG  10 -12.361   5.749  -2.688
   61    HD3  ARG  10           1HD      ARG  10 -13.526   4.578  -3.312
   62    HE   ARG  10           HE       ARG  10 -13.022   4.274  -0.517
   63   HH11  ARG  10          1HH1      ARG  10 -14.959   6.131  -2.847
   64   HH12  ARG  10          2HH1      ARG  10 -16.183   6.483  -1.713
   65   HH21  ARG  10          1HH2      ARG  10 -14.761   4.818   1.028
   66   HH22  ARG  10          2HH2      ARG  10 -16.039   5.776   0.471
   67    HA   PRO  11           HA       PRO  11 -10.700  -1.303  -5.037
   68    HB2  PRO  11           2HB      PRO  11  -8.347  -2.571  -3.850
   69    HB3  PRO  11           1HB      PRO  11  -8.895  -2.584  -5.533
   70    HG2  PRO  11           2HG      PRO  11  -6.681  -1.278  -4.756
   71    HG3  PRO  11           1HG      PRO  11  -7.698  -0.699  -6.083
   72    HD2  PRO  11           2HD      PRO  11  -7.590   0.234  -3.238
   73    HD3  PRO  11           1HD      PRO  11  -7.703   1.174  -4.739
   74    H    CYS  12           H        CYS  12 -12.095  -2.393  -3.802
   75    HA   CYS  12           HA       CYS  12 -11.495  -2.677  -0.969
   76    HB2  CYS  12           2HB      CYS  12 -13.213  -0.954  -1.347
   77    HB3  CYS  12           1HB      CYS  12 -14.199  -2.112  -2.222
   78    HG   CYS  12           HG       CYS  12 -13.522  -3.357   0.745
   79    H    LYS  13           H        LYS  13 -11.055  -4.787  -0.712
   80    HA   LYS  13           HA       LYS  13 -13.076  -6.705  -1.511
   81    HB2  LYS  13           2HB      LYS  13 -10.095  -7.148  -1.816
   82    HB3  LYS  13           1HB      LYS  13 -11.327  -8.399  -1.982
   83    HG2  LYS  13           2HG      LYS  13 -12.208  -7.109  -3.946
   84    HG3  LYS  13           1HG      LYS  13 -10.818  -6.039  -3.801
   85    HD2  LYS  13           2HD      LYS  13  -9.324  -7.974  -4.059
   86    HD3  LYS  13           1HD      LYS  13 -10.729  -9.018  -4.241
   87    HE2  LYS  13           2HE      LYS  13 -11.401  -7.630  -6.238
   88    HE3  LYS  13           1HE      LYS  13  -9.861  -6.797  -6.080
   89    HZ1  LYS  13           3HZ      LYS  13 -10.229  -9.699  -6.534
   90    HZ2  LYS  13           1HZ      LYS  13  -8.723  -8.945  -6.378
   91    HZ3  LYS  13           2HZ      LYS  13  -9.710  -8.596  -7.698
   92    H    ASP  14           H        ASP  14 -13.071  -8.543  -0.114
   93    HA   ASP  14           HA       ASP  14 -12.660  -7.782   2.592
   94    HB2  ASP  14           2HB      ASP  14 -13.228 -10.527   1.453
   95    HB3  ASP  14           1HB      ASP  14 -13.366 -10.065   3.155
   96    H    LYS  15           H        LYS  15 -10.991 -10.243   0.534
   97    HA   LYS  15           HA       LYS  15  -8.895 -10.258   2.511
   98    HB2  LYS  15           2HB      LYS  15  -9.965 -12.363   1.905
   99    HB3  LYS  15           1HB      LYS  15  -9.552 -12.129   0.225
  100    HG2  LYS  15           2HG      LYS  15  -7.177 -12.389   0.753
  101    HG3  LYS  15           1HG      LYS  15  -7.591 -12.554   2.477
  102    HD2  LYS  15           2HD      LYS  15  -8.948 -14.512   1.988
  103    HD3  LYS  15           1HD      LYS  15  -8.588 -14.370   0.272
  104    HE2  LYS  15           2HE      LYS  15  -6.215 -14.811   0.749
  105    HE3  LYS  15           1HE      LYS  15  -6.575 -14.922   2.461
  106    HZ1  LYS  15           3HZ      LYS  15  -7.928 -16.856   2.065
  107    HZ2  LYS  15           1HZ      LYS  15  -6.414 -17.095   1.402
  108    HZ3  LYS  15           2HZ      LYS  15  -7.742 -16.761   0.403
  109    H    VAL  16           H        VAL  16  -7.809  -8.396   2.017
  110    HA   VAL  16           HA       VAL  16  -5.974  -8.632  -0.136
  111    HB   VAL  16           HB       VAL  16  -7.698  -7.460  -1.409
  112   HG11  VAL  16          1HG1      VAL  16  -8.979  -6.513   0.428
  113   HG12  VAL  16          2HG1      VAL  16  -8.531  -5.242  -0.730
  114   HG13  VAL  16          3HG1      VAL  16  -7.631  -5.431   0.790
  115   HG21  VAL  16          3HG2      VAL  16  -5.618  -5.497  -0.543
  116   HG22  VAL  16          1HG2      VAL  16  -6.460  -5.445  -2.085
  117   HG23  VAL  16          2HG2      VAL  16  -5.309  -6.761  -1.734
  118    H    ASP  17           H        ASP  17  -4.191  -8.200   0.632
  119    HA   ASP  17           HA       ASP  17  -3.593  -6.938   3.073
  120    HB2  ASP  17           2HB      ASP  17  -1.708  -7.450   0.790
  121    HB3  ASP  17           1HB      ASP  17  -1.252  -7.166   2.475
  122    H    TRP  18           H        TRP  18  -2.228  -5.161   3.483
  123    HA   TRP  18           HA       TRP  18  -2.384  -2.855   1.671
  124    HB2  TRP  18           2HB      TRP  18  -3.137  -2.993   4.607
  125    HB3  TRP  18           1HB      TRP  18  -2.864  -1.489   3.734
  126    HD1  TRP  18           HD       TRP  18  -5.167  -4.599   3.179
  127    HE1  TRP  18           1HE      TRP  18  -7.493  -3.780   2.606
  128    HE3  TRP  18           3HE      TRP  18  -4.235   0.405   3.358
  129    HZ2  TRP  18           2HZ      TRP  18  -8.828  -1.244   2.319
  130    HZ3  TRP  18           3HZ      TRP  18  -6.073   1.969   2.935
  131    HH2  TRP  18           HH       TRP  18  -8.338   1.157   2.423
  132    H    VAL  19           H        VAL  19  -0.622  -1.141   2.347
  133    HA   VAL  19           HA       VAL  19   1.384  -2.369   3.985
  134    HB   VAL  19           HB       VAL  19   3.126  -1.442   2.422
  135   HG11  VAL  19          1HG1      VAL  19   1.325  -3.549   1.235
  136   HG12  VAL  19          2HG1      VAL  19   2.669  -3.799   2.360
  137   HG13  VAL  19          3HG1      VAL  19   2.983  -3.191   0.732
  138   HG21  VAL  19          3HG2      VAL  19   2.521  -0.960   0.100
  139   HG22  VAL  19          1HG2      VAL  19   1.794   0.171   1.231
  140   HG23  VAL  19          2HG2      VAL  19   0.808  -1.112   0.511
  141    H    GLN  20           H        GLN  20   2.139  -1.046   5.409
  142    HA   GLN  20           HA       GLN  20   1.444   1.784   5.280
  143    HB2  GLN  20           2HB      GLN  20   0.834   0.687   7.378
  144    HB3  GLN  20           1HB      GLN  20   2.484   0.062   7.564
  145    HG2  GLN  20           2HG      GLN  20   3.297   2.321   7.858
  146    HG3  GLN  20           1HG      GLN  20   1.687   2.983   7.619
  147   HE21  GLN  20          1HE2      GLN  20   3.501   3.228   9.880
  148   HE22  GLN  20          2HE2      GLN  20   2.659   2.652  11.244
  149    H    CYS  21           H        CYS  21   3.027   3.334   5.103
  150    HA   CYS  21           HA       CYS  21   5.641   2.219   4.505
  151    HB2  CYS  21           2HB      CYS  21   6.302   4.455   3.625
  152    HB3  CYS  21           1HB      CYS  21   4.791   3.924   2.940
  153    H    ASP  22           H        ASP  22   6.924   1.811   6.032
  154    HA   ASP  22           HA       ASP  22   6.747   3.135   8.608
  155    HB2  ASP  22           2HB      ASP  22   8.374   0.801   7.621
  156    HB3  ASP  22           1HB      ASP  22   8.590   1.478   9.235
  157    H    GLY  23           H        GLY  23   7.727   4.515   6.266
  158    HA2  GLY  23           2HA      GLY  23  10.518   4.994   6.935
  159    HA3  GLY  23           1HA      GLY  23   9.669   5.625   5.523
  160    H    GLY  24           H        GLY  24   7.422   6.206   7.787
  161    HA2  GLY  24           2HA      GLY  24   7.916   7.840   9.681
  162    HA3  GLY  24           1HA      GLY  24   8.582   8.830   8.382
  163    H    CYS  25           H        CYS  25   6.041   7.603   6.780
  164    HA   CYS  25           HA       CYS  25   4.386   9.930   7.520
  165    HB2  CYS  25           2HB      CYS  25   3.662   7.858   5.427
  166    HB3  CYS  25           1HB      CYS  25   3.040   9.485   5.562
  167    H    ASP  26           H        ASP  26   4.521   6.525   7.864
  168    HA   ASP  26           HA       ASP  26   3.288   4.923   8.801
  169    HB2  ASP  26           2HB      ASP  26   2.085   7.184  10.448
  170    HB3  ASP  26           1HB      ASP  26   1.926   5.486  10.797
  171    H    GLU  27           H        GLU  27   2.174   6.399   6.451
  172    HA   GLU  27           HA       GLU  27  -0.661   6.073   6.893
  173    HB2  GLU  27           2HB      GLU  27   0.797   7.075   4.449
  174    HB3  GLU  27           1HB      GLU  27  -0.938   6.923   4.550
  175    HG2  GLU  27           2HG      GLU  27  -0.877   8.488   6.520
  176    HG3  GLU  27           1HG      GLU  27   0.841   8.733   6.162
  177    H    TRP  28           H        TRP  28  -1.903   5.059   5.187
  178    HA   TRP  28           HA       TRP  28  -0.816   2.370   4.693
  179    HB2  TRP  28           2HB      TRP  28  -3.624   3.286   5.282
  180    HB3  TRP  28           1HB      TRP  28  -3.231   1.651   4.776
  181    HD1  TRP  28           HD       TRP  28  -2.217   4.090   7.635
  182    HE1  TRP  28           1HE      TRP  28  -1.818   2.710   9.762
  183    HE3  TRP  28           3HE      TRP  28  -3.003  -0.584   5.715
  184    HZ2  TRP  28           2HZ      TRP  28  -1.851  -0.017  10.538
  185    HZ3  TRP  28           3HZ      TRP  28  -2.800  -2.514   7.215
  186    HH2  TRP  28           HH       TRP  28  -2.229  -2.218   9.593
  187    H    PHE  29           H        PHE  29  -0.665   1.646   2.767
  188    HA   PHE  29           HA       PHE  29  -1.982   3.051   0.512
  189    HB2  PHE  29           2HB      PHE  29   0.682   1.583   0.454
  190    HB3  PHE  29           1HB      PHE  29  -0.022   2.571  -0.808
  191    HD1  PHE  29           1HD      PHE  29   1.221   2.788   2.684
  192    HD2  PHE  29           2HD      PHE  29   0.694   4.839  -1.020
  193    HE1  PHE  29           1HE      PHE  29   2.494   4.702   3.536
  194    HE2  PHE  29           2HE      PHE  29   1.954   6.710  -0.173
  195    HZ   PHE  29           HZ       PHE  29   2.878   6.633   2.167
  196    H    HIS  30           H        HIS  30  -2.458   1.682  -1.240
  197    HA   HIS  30           HA       HIS  30  -3.014  -1.159  -0.585
  198    HB2  HIS  30           2HB      HIS  30  -3.900   0.681  -2.716
  199    HB3  HIS  30           1HB      HIS  30  -4.205  -0.954  -3.051
  200    HD2  HIS  30           2HD      HIS  30  -6.074  -2.019  -0.891
  201    HE1  HIS  30           1HE      HIS  30  -7.809   1.842  -0.608
  202    HE2  HIS  30           2HE      HIS  30  -8.200  -0.646  -0.415
  203    H    GLN  31           H        GLN  31  -1.989  -2.759  -1.684
  204    HA   GLN  31           HA       GLN  31   0.470  -2.216  -2.850
  205    HB2  GLN  31           2HB      GLN  31  -1.136  -4.763  -3.087
  206    HB3  GLN  31           1HB      GLN  31   0.489  -4.541  -3.698
  207    HG2  GLN  31           2HG      GLN  31   1.341  -4.115  -1.504
  208    HG3  GLN  31           1HG      GLN  31  -0.255  -4.205  -0.802
  209   HE21  GLN  31          1HE2      GLN  31  -1.233  -6.213  -0.587
  210   HE22  GLN  31          2HE2      GLN  31  -0.413  -7.687  -0.749
  211    H    VAL  32           H        VAL  32  -2.588  -2.883  -4.560
  212    HA   VAL  32           HA       VAL  32  -1.323  -2.722  -7.115
  213    HB   VAL  32           HB       VAL  32  -3.437  -3.917  -6.841
  214   HG11  VAL  32          1HG1      VAL  32  -4.447  -2.495  -5.154
  215   HG12  VAL  32          2HG1      VAL  32  -5.554  -2.568  -6.559
  216   HG13  VAL  32          3HG1      VAL  32  -4.445  -1.191  -6.322
  217   HG21  VAL  32          3HG2      VAL  32  -2.879  -2.998  -9.057
  218   HG22  VAL  32          1HG2      VAL  32  -3.667  -1.503  -8.551
  219   HG23  VAL  32          2HG2      VAL  32  -4.631  -2.979  -8.784
  220    H    CYS  33           H        CYS  33  -2.937  -0.474  -5.136
  221    HA   CYS  33           HA       CYS  33  -3.117   1.601  -7.127
  222    HB2  CYS  33           2HB      CYS  33  -4.210   2.999  -5.559
  223    HB3  CYS  33           1HB      CYS  33  -4.669   1.420  -5.087
  224    H    VAL  34           H        VAL  34  -0.643   0.940  -4.608
  225    HA   VAL  34           HA       VAL  34   0.714   3.288  -5.568
  226    HB   VAL  34           HB       VAL  34   0.238   2.598  -3.004
  227   HG11  VAL  34          1HG1      VAL  34   1.091   0.461  -3.005
  228   HG12  VAL  34          2HG1      VAL  34   1.922   1.546  -1.890
  229   HG13  VAL  34          3HG1      VAL  34   2.673   1.129  -3.436
  230   HG21  VAL  34          3HG2      VAL  34   2.158   3.869  -2.358
  231   HG22  VAL  34          1HG2      VAL  34   1.248   4.594  -3.698
  232   HG23  VAL  34          2HG2      VAL  34   2.782   3.733  -4.027
  233    H    GLY  35           H        GLY  35   0.424   0.464  -6.702
  234    HA2  GLY  35           2HA      GLY  35   1.688  -1.117  -7.877
  235    HA3  GLY  35           1HA      GLY  35   2.838   0.175  -8.058
  236    H    VAL  36           H        VAL  36   1.850  -2.148  -5.428
  237    HA   VAL  36           HA       VAL  36   4.661  -2.795  -4.984
  238    HB   VAL  36           HB       VAL  36   2.233  -2.880  -3.152
  239   HG11  VAL  36          1HG1      VAL  36   5.037  -3.897  -2.574
  240   HG12  VAL  36          2HG1      VAL  36   3.510  -4.788  -2.648
  241   HG13  VAL  36          3HG1      VAL  36   3.764  -3.613  -1.364
  242   HG21  VAL  36          3HG2      VAL  36   4.742  -1.210  -2.980
  243   HG22  VAL  36          1HG2      VAL  36   3.477  -1.297  -1.759
  244   HG23  VAL  36          2HG2      VAL  36   3.091  -0.669  -3.336
  245    H    SER  37           H        SER  37   5.070  -5.237  -4.851
  246    HA   SER  37           HA       SER  37   2.927  -6.704  -6.002
  247    HB2  SER  37           2HB      SER  37   4.841  -8.326  -6.303
  248    HB3  SER  37           1HB      SER  37   5.004  -6.820  -7.221
  249    HG   SER  37           HG       SER  37   6.892  -6.791  -6.248
  250    HA   PRO  38           HA       PRO  38   1.937  -8.660  -2.127
  251    HB2  PRO  38           2HB      PRO  38   2.337 -11.267  -3.537
  252    HB3  PRO  38           1HB      PRO  38   0.968 -10.704  -2.564
  253    HG2  PRO  38           2HG      PRO  38   0.771 -10.708  -5.201
  254    HG3  PRO  38           1HG      PRO  38   0.161  -9.325  -4.264
  255    HD2  PRO  38           2HD      PRO  38   2.682  -9.589  -5.867
  256    HD3  PRO  38           1HD      PRO  38   1.544  -8.234  -5.751
  257    H    GLU  39           H        GLU  39   4.770  -9.827  -3.917
  258    HA   GLU  39           HA       GLU  39   5.874 -11.415  -1.917
  259    HB2  GLU  39           2HB      GLU  39   7.003 -10.075  -4.371
  260    HB3  GLU  39           1HB      GLU  39   7.825 -11.267  -3.389
  261    HG2  GLU  39           2HG      GLU  39   6.193 -12.950  -3.986
  262    HG3  GLU  39           1HG      GLU  39   5.241 -11.764  -4.887
  263    H    MET  40           H        MET  40   5.983  -7.989  -2.729
  264    HA   MET  40           HA       MET  40   8.384  -7.497  -1.250
  265    HB2  MET  40           2HB      MET  40   7.491  -5.924  -3.248
  266    HB3  MET  40           1HB      MET  40   6.373  -5.440  -2.073
  267    HG2  MET  40           2HG      MET  40   7.716  -4.328  -0.773
  268    HG3  MET  40           1HG      MET  40   9.172  -5.249  -1.186
  269    HE1  MET  40           3HE      MET  40   6.626  -3.495  -3.707
  270    HE2  MET  40           1HE      MET  40   7.367  -1.910  -3.883
  271    HE3  MET  40           2HE      MET  40   6.662  -2.390  -2.333
  272    H    ALA  41           H        ALA  41   4.958  -7.117  -0.734
  273    HA   ALA  41           HA       ALA  41   4.951  -5.624   1.617
  274    HB1  ALA  41           1HB      ALA  41   2.931  -7.707   0.817
  275    HB2  ALA  41           2HB      ALA  41   2.979  -6.055   0.220
  276    HB3  ALA  41           3HB      ALA  41   2.652  -6.359   1.911
  277    H    GLU  42           H        GLU  42   5.069  -9.071   1.287
  278    HA   GLU  42           HA       GLU  42   5.149  -9.396   4.202
  279    HB2  GLU  42           2HB      GLU  42   5.428 -11.611   2.163
  280    HB3  GLU  42           1HB      GLU  42   5.330 -11.805   3.920
  281    HG2  GLU  42           2HG      GLU  42   3.072 -10.697   3.768
  282    HG3  GLU  42           1HG      GLU  42   3.197 -10.889   2.022
  283    H    ASN  43           H        ASN  43   7.593  -8.877   1.908
  284    HA   ASN  43           HA       ASN  43   9.537 -10.175   3.687
  285    HB2  ASN  43           2HB      ASN  43   9.560  -9.773   0.753
  286    HB3  ASN  43           1HB      ASN  43  11.026 -10.123   1.638
  287   HD21  ASN  43          1HD2      ASN  43   9.688 -11.752  -0.386
  288   HD22  ASN  43          2HD2      ASN  43   9.305 -13.249   0.401
  289    H    GLU  44           H        GLU  44   8.903  -7.054   2.094
  290    HA   GLU  44           HA       GLU  44  11.281  -6.112   3.486
  291    HB2  GLU  44           2HB      GLU  44  10.581  -5.448   0.612
  292    HB3  GLU  44           1HB      GLU  44  11.867  -4.675   1.534
  293    HG2  GLU  44           2HG      GLU  44  12.973  -6.897   1.761
  294    HG3  GLU  44           1HG      GLU  44  11.698  -7.596   0.785
  295    H    ASP  45           H        ASP  45  11.224  -4.088   4.250
  296    HA   ASP  45           HA       ASP  45   8.687  -3.117   5.006
  297    HB2  ASP  45           2HB      ASP  45  11.407  -1.790   5.305
  298    HB3  ASP  45           1HB      ASP  45   9.941  -1.409   6.214
  299    H    TYR  46           H        TYR  46   7.444  -1.960   3.784
  300    HA   TYR  46           HA       TYR  46   8.268  -0.761   1.375
  301    HB2  TYR  46           2HB      TYR  46   6.026  -1.723   1.514
  302    HB3  TYR  46           1HB      TYR  46   5.568  -0.511   2.713
  303    HD1  TYR  46           1HD      TYR  46   7.051  -0.590  -0.733
  304    HD2  TYR  46           2HD      TYR  46   4.302   1.237   1.943
  305    HE1  TYR  46           1HE      TYR  46   6.359   0.935  -2.516
  306    HE2  TYR  46           2HE      TYR  46   3.586   2.795   0.108
  307    HH   TYR  46           HH       TYR  46   4.457   3.700  -1.923
  308    H    ILE  47           H        ILE  47   9.109   0.933   1.021
  309    HA   ILE  47           HA       ILE  47   8.790   3.379   2.667
  310    HB   ILE  47           HB       ILE  47  10.790   2.840   0.421
  311   HG12  ILE  47          2HG1      ILE  47  11.284   1.460   2.388
  312   HG13  ILE  47          1HG1      ILE  47  12.502   2.693   2.179
  313   HG21  ILE  47          1HG2      ILE  47  10.353   5.215   0.549
  314   HG22  ILE  47          2HG2      ILE  47  11.947   4.878   1.229
  315   HG23  ILE  47          3HG2      ILE  47  10.548   5.140   2.301
  316   HD11  ILE  47          3HD1      ILE  47  11.453   4.020   3.975
  317   HD12  ILE  47          1HD1      ILE  47  11.949   2.411   4.517
  318   HD13  ILE  47          2HD1      ILE  47  10.256   2.731   4.171
  319    H    CYS  48           H        CYS  48   7.781   5.361   1.632
  320    HA   CYS  48           HA       CYS  48   6.428   4.642  -0.834
  321    HB2  CYS  48           2HB      CYS  48   4.788   6.231  -0.264
  322    HB3  CYS  48           1HB      CYS  48   5.105   5.384   1.242
  323    H    ILE  49           H        ILE  49   5.913   6.776  -2.061
  324    HA   ILE  49           HA       ILE  49   8.189   7.891  -3.205
  325    HB   ILE  49           HB       ILE  49   6.064   7.866  -4.347
  326   HG12  ILE  49          2HG1      ILE  49   6.929  10.692  -3.817
  327   HG13  ILE  49          1HG1      ILE  49   7.727   9.577  -4.929
  328   HG21  ILE  49          1HG2      ILE  49   5.078   9.856  -2.297
  329   HG22  ILE  49          2HG2      ILE  49   4.531   8.185  -2.477
  330   HG23  ILE  49          3HG2      ILE  49   4.215   9.348  -3.744
  331   HD11  ILE  49          3HD1      ILE  49   4.886  10.521  -5.173
  332   HD12  ILE  49          1HD1      ILE  49   5.743   9.423  -6.242
  333   HD13  ILE  49          2HD1      ILE  49   6.257  11.127  -6.120
  334    H    ASN  50           H        ASN  50   6.238   9.161  -0.528
  335    HA   ASN  50           HA       ASN  50   7.641  11.676  -0.353
  336    HB2  ASN  50           2HB      ASN  50   5.846  10.281   1.633
  337    HB3  ASN  50           1HB      ASN  50   6.467  11.922   1.821
  338   HD21  ASN  50          1HD2      ASN  50   5.560  13.558   0.632
  339   HD22  ASN  50          2HD2      ASN  50   4.117  13.348  -0.287
  340    H    CYS  51           H        CYS  51   7.827   8.598   1.264
  341    HA   CYS  51           HA       CYS  51   9.764   9.371   3.202
  342    HB2  CYS  51           2HB      CYS  51   8.925   6.653   2.176
  343    HB3  CYS  51           1HB      CYS  51  10.207   6.871   3.340
  344    H    ALA  52           H        ALA  52   9.922   8.430  -0.087
  345    HA   ALA  52           HA       ALA  52  12.706   7.678   0.044
  346    HB1  ALA  52           3HB      ALA  52  11.177   6.500  -1.439
  347    HB2  ALA  52           1HB      ALA  52  12.527   7.209  -2.353
  348    HB3  ALA  52           2HB      ALA  52  10.942   7.983  -2.387
  Start of MODEL   13
    1    HA   SER   1           HA       SER   1 -12.527   7.204   3.266
    2    HB2  SER   1           2HB      SER   1 -12.781   5.317   4.837
    3    HB3  SER   1           1HB      SER   1 -12.021   4.220   3.682
    4    HG   SER   1           HG       SER   1 -10.735   5.277   5.491
    5    H    VAL   2           H        VAL   2 -10.317   7.534   2.641
    6    HA   VAL   2           HA       VAL   2  -9.621   6.375   0.044
    7    HB   VAL   2           HB       VAL   2  -9.053   9.218   0.957
    8   HG11  VAL   2          1HG1      VAL   2  -7.424   8.431  -0.627
    9   HG12  VAL   2          2HG1      VAL   2  -8.472   9.642  -1.385
   10   HG13  VAL   2          3HG1      VAL   2  -8.701   7.932  -1.736
   11   HG21  VAL   2          3HG2      VAL   2 -11.442   9.001   0.647
   12   HG22  VAL   2          1HG2      VAL   2 -11.214   8.275  -0.939
   13   HG23  VAL   2          2HG2      VAL   2 -10.786   9.957  -0.677
   14    H    CYS   3           H        CYS   3  -7.499   5.536   0.046
   15    HA   CYS   3           HA       CYS   3  -6.061   5.821   2.549
   16    HB2  CYS   3           2HB      CYS   3  -5.124   3.756   2.084
   17    HB3  CYS   3           1HB      CYS   3  -6.433   3.611   0.934
   18    H    ALA   4           H        ALA   4  -3.479   5.658   1.849
   19    HA   ALA   4           HA       ALA   4  -3.029   8.243   0.529
   20    HB1  ALA   4           1HB      ALA   4  -1.214   6.513   2.201
   21    HB2  ALA   4           2HB      ALA   4  -2.042   7.978   2.741
   22    HB3  ALA   4           3HB      ALA   4  -0.778   8.071   1.507
   23    H    ALA   5           H        ALA   5  -2.516   8.116  -1.556
   24    HA   ALA   5           HA       ALA   5  -0.200   6.778  -2.462
   25    HB1  ALA   5           1HB      ALA   5  -1.231   5.293  -4.178
   26    HB2  ALA   5           2HB      ALA   5  -2.823   5.721  -3.604
   27    HB3  ALA   5           3HB      ALA   5  -1.744   4.807  -2.570
   28    H    GLN   6           H        GLN   6   0.503   7.734  -4.449
   29    HA   GLN   6           HA       GLN   6  -0.243  10.057  -5.427
   30    HB2  GLN   6           2HB      GLN   6   0.579   7.638  -7.086
   31    HB3  GLN   6           1HB      GLN   6   0.739   9.328  -7.560
   32    HG2  GLN   6           2HG      GLN   6   2.383   9.664  -5.866
   33    HG3  GLN   6           1HG      GLN   6   2.101   8.041  -5.214
   34   HE21  GLN   6          1HE2      GLN   6   2.826   6.222  -6.360
   35   HE22  GLN   6          2HE2      GLN   6   3.991   6.371  -7.615
   36    H    ASN   7           H        ASN   7  -1.508   7.105  -6.364
   37    HA   ASN   7           HA       ASN   7  -4.086   8.305  -7.197
   38    HB2  ASN   7           2HB      ASN   7  -2.878   8.002  -9.312
   39    HB3  ASN   7           1HB      ASN   7  -2.672   6.282  -8.944
   40   HD21  ASN   7          1HD2      ASN   7  -3.725   5.729 -10.871
   41   HD22  ASN   7          2HD2      ASN   7  -5.435   5.891 -11.055
   42    H    CYS   8           H        CYS   8  -5.510   7.432  -5.798
   43    HA   CYS   8           HA       CYS   8  -5.127   4.634  -5.246
   44    HB2  CYS   8           2HB      CYS   8  -5.135   6.005  -3.215
   45    HB3  CYS   8           1HB      CYS   8  -6.738   6.598  -3.635
   46    H    GLN   9           H        GLN   9  -6.240   3.294  -6.197
   47    HA   GLN   9           HA       GLN   9  -8.556   3.766  -7.816
   48    HB2  GLN   9           2HB      GLN   9  -7.345   1.195  -6.804
   49    HB3  GLN   9           1HB      GLN   9  -8.431   1.306  -8.171
   50    HG2  GLN   9           2HG      GLN   9  -6.707   2.631  -9.383
   51    HG3  GLN   9           1HG      GLN   9  -5.668   2.488  -7.973
   52   HE21  GLN   9          1HE2      GLN   9  -4.074   1.446  -9.119
   53   HE22  GLN   9          2HE2      GLN   9  -4.243  -0.184  -9.659
   54    H    ARG  10           H        ARG  10  -8.096   3.322  -4.579
   55    HA   ARG  10           HA       ARG  10  -9.114   2.516  -2.752
   56    HB2  ARG  10           2HB      ARG  10 -11.584   3.605  -4.079
   57    HB3  ARG  10           1HB      ARG  10 -11.389   3.295  -2.354
   58    HG2  ARG  10           2HG      ARG  10  -9.452   4.971  -2.472
   59    HG3  ARG  10           1HG      ARG  10 -10.105   5.422  -4.047
   60    HD2  ARG  10           2HD      ARG  10 -11.514   5.565  -1.388
   61    HD3  ARG  10           1HD      ARG  10 -10.939   6.899  -2.380
   62    HE   ARG  10           HE       ARG  10 -12.634   6.247  -4.011
   63   HH11  ARG  10          1HH1      ARG  10 -13.031   5.077  -0.662
   64   HH12  ARG  10          2HH1      ARG  10 -14.726   5.039  -0.732
   65   HH21  ARG  10          1HH2      ARG  10 -15.021   6.256  -4.037
   66   HH22  ARG  10          2HH2      ARG  10 -15.863   5.761  -2.645
   67    HA   PRO  11           HA       PRO  11 -11.013  -1.372  -4.557
   68    HB2  PRO  11           2HB      PRO  11  -8.518  -2.714  -3.844
   69    HB3  PRO  11           1HB      PRO  11  -9.339  -2.693  -5.422
   70    HG2  PRO  11           2HG      PRO  11  -7.011  -1.433  -4.991
   71    HG3  PRO  11           1HG      PRO  11  -8.240  -0.755  -6.077
   72    HD2  PRO  11           2HD      PRO  11  -7.619  -0.073  -3.217
   73    HD3  PRO  11           1HD      PRO  11  -7.878   1.011  -4.591
   74    H    CYS  12           H        CYS  12 -12.090  -2.732  -3.150
   75    HA   CYS  12           HA       CYS  12 -11.014  -3.102  -0.447
   76    HB2  CYS  12           2HB      CYS  12 -12.731  -1.327  -0.402
   77    HB3  CYS  12           1HB      CYS  12 -13.867  -2.411  -1.184
   78    HG   CYS  12           HG       CYS  12 -14.060  -4.143   0.971
   79    H    LYS  13           H        LYS  13 -10.714  -5.264  -0.146
   80    HA   LYS  13           HA       LYS  13 -12.808  -7.158  -0.874
   81    HB2  LYS  13           2HB      LYS  13  -9.935  -7.540  -1.791
   82    HB3  LYS  13           1HB      LYS  13 -11.234  -8.697  -1.952
   83    HG2  LYS  13           2HG      LYS  13 -12.376  -7.183  -3.492
   84    HG3  LYS  13           1HG      LYS  13 -11.029  -6.043  -3.359
   85    HD2  LYS  13           2HD      LYS  13  -9.511  -7.756  -4.211
   86    HD3  LYS  13           1HD      LYS  13 -10.866  -8.887  -4.354
   87    HE2  LYS  13           2HE      LYS  13 -11.924  -7.340  -5.958
   88    HE3  LYS  13           1HE      LYS  13 -10.522  -6.273  -5.851
   89    HZ1  LYS  13           3HZ      LYS  13  -9.154  -8.160  -6.664
   90    HZ2  LYS  13           1HZ      LYS  13 -10.334  -7.729  -7.800
   91    HZ3  LYS  13           2HZ      LYS  13 -10.574  -9.053  -6.845
   92    H    ASP  14           H        ASP  14 -12.564  -9.190   0.303
   93    HA   ASP  14           HA       ASP  14 -11.465  -9.023   2.902
   94    HB2  ASP  14           2HB      ASP  14 -12.331 -11.456   1.317
   95    HB3  ASP  14           1HB      ASP  14 -12.005 -11.451   3.029
   96    H    LYS  15           H        LYS  15  -9.956  -9.672  -0.058
   97    HA   LYS  15           HA       LYS  15  -7.940 -11.388   1.216
   98    HB2  LYS  15           2HB      LYS  15  -8.943 -11.438  -1.628
   99    HB3  LYS  15           1HB      LYS  15  -7.616 -12.424  -1.040
  100    HG2  LYS  15           2HG      LYS  15  -9.144 -13.540   0.534
  101    HG3  LYS  15           1HG      LYS  15 -10.457 -12.516  -0.024
  102    HD2  LYS  15           2HD      LYS  15 -10.227 -13.474  -2.284
  103    HD3  LYS  15           1HD      LYS  15  -8.922 -14.503  -1.705
  104    HE2  LYS  15           2HE      LYS  15 -10.477 -15.561  -0.105
  105    HE3  LYS  15           1HE      LYS  15 -11.771 -14.545  -0.689
  106    HZ1  LYS  15           3HZ      LYS  15 -11.585 -15.571  -2.862
  107    HZ2  LYS  15           1HZ      LYS  15 -11.844 -16.746  -1.696
  108    HZ3  LYS  15           2HZ      LYS  15 -10.309 -16.540  -2.338
  109    H    VAL  16           H        VAL  16  -8.083  -8.330   0.703
  110    HA   VAL  16           HA       VAL  16  -5.547  -8.251  -0.731
  111    HB   VAL  16           HB       VAL  16  -7.222  -7.055  -2.064
  112   HG11  VAL  16          1HG1      VAL  16  -8.746  -6.461  -0.289
  113   HG12  VAL  16          2HG1      VAL  16  -8.301  -5.022  -1.222
  114   HG13  VAL  16          3HG1      VAL  16  -7.534  -5.347   0.353
  115   HG21  VAL  16          3HG2      VAL  16  -5.361  -5.111  -0.726
  116   HG22  VAL  16          1HG2      VAL  16  -6.058  -4.911  -2.319
  117   HG23  VAL  16          2HG2      VAL  16  -4.859  -6.202  -2.005
  118    H    ASP  17           H        ASP  17  -4.140  -8.244   0.653
  119    HA   ASP  17           HA       ASP  17  -4.091  -6.825   3.099
  120    HB2  ASP  17           2HB      ASP  17  -2.777  -8.853   2.779
  121    HB3  ASP  17           1HB      ASP  17  -1.771  -8.040   1.588
  122    H    TRP  18           H        TRP  18  -2.782  -5.092   3.789
  123    HA   TRP  18           HA       TRP  18  -2.470  -2.964   1.758
  124    HB2  TRP  18           2HB      TRP  18  -3.320  -2.808   4.652
  125    HB3  TRP  18           1HB      TRP  18  -3.002  -1.417   3.616
  126    HD1  TRP  18           HD       TRP  18  -5.217  -4.550   3.019
  127    HE1  TRP  18           1HE      TRP  18  -7.532  -3.766   2.349
  128    HE3  TRP  18           3HE      TRP  18  -4.415   0.471   3.384
  129    HZ2  TRP  18           2HZ      TRP  18  -8.928  -1.235   2.058
  130    HZ3  TRP  18           3HZ      TRP  18  -6.244   1.996   2.914
  131    HH2  TRP  18           HH       TRP  18  -8.481   1.163   2.256
  132    H    VAL  19           H        VAL  19  -0.712  -1.222   2.388
  133    HA   VAL  19           HA       VAL  19   1.320  -2.469   3.987
  134    HB   VAL  19           HB       VAL  19   2.994  -1.496   2.338
  135   HG11  VAL  19          1HG1      VAL  19   2.463  -3.918   2.326
  136   HG12  VAL  19          2HG1      VAL  19   2.800  -3.276   0.715
  137   HG13  VAL  19          3HG1      VAL  19   1.143  -3.586   1.195
  138   HG21  VAL  19          3HG2      VAL  19   1.516   0.094   1.228
  139   HG22  VAL  19          1HG2      VAL  19   0.546  -1.230   0.580
  140   HG23  VAL  19          2HG2      VAL  19   2.223  -1.016   0.056
  141    H    GLN  20           H        GLN  20   2.170  -1.138   5.392
  142    HA   GLN  20           HA       GLN  20   1.429   1.699   5.341
  143    HB2  GLN  20           2HB      GLN  20   0.966   0.450   7.427
  144    HB3  GLN  20           1HB      GLN  20   2.677   0.044   7.568
  145    HG2  GLN  20           2HG      GLN  20   3.194   2.448   7.777
  146    HG3  GLN  20           1HG      GLN  20   1.490   2.815   7.673
  147   HE21  GLN  20          1HE2      GLN  20   3.426   3.317   9.789
  148   HE22  GLN  20          2HE2      GLN  20   2.751   2.667  11.213
  149    H    CYS  21           H        CYS  21   3.031   3.286   5.153
  150    HA   CYS  21           HA       CYS  21   5.538   2.198   4.222
  151    HB2  CYS  21           2HB      CYS  21   6.108   4.499   3.368
  152    HB3  CYS  21           1HB      CYS  21   4.500   4.008   2.916
  153    H    ASP  22           H        ASP  22   7.048   1.638   5.517
  154    HA   ASP  22           HA       ASP  22   7.251   2.553   8.230
  155    HB2  ASP  22           2HB      ASP  22   9.028   0.707   6.613
  156    HB3  ASP  22           1HB      ASP  22   9.201   0.994   8.331
  157    H    GLY  23           H        GLY  23   7.886   4.409   5.947
  158    HA2  GLY  23           2HA      GLY  23  10.730   4.979   6.424
  159    HA3  GLY  23           1HA      GLY  23   9.724   5.719   5.194
  160    H    GLY  24           H        GLY  24   7.604   6.061   7.440
  161    HA2  GLY  24           2HA      GLY  24   8.100   7.495   9.558
  162    HA3  GLY  24           1HA      GLY  24   8.780   8.602   8.388
  163    H    CYS  25           H        CYS  25   6.133   7.469   6.760
  164    HA   CYS  25           HA       CYS  25   4.620   9.860   7.583
  165    HB2  CYS  25           2HB      CYS  25   3.742   7.878   5.475
  166    HB3  CYS  25           1HB      CYS  25   3.220   9.542   5.667
  167    H    ASP  26           H        ASP  26   4.622   6.478   7.970
  168    HA   ASP  26           HA       ASP  26   3.309   4.906   8.865
  169    HB2  ASP  26           2HB      ASP  26   2.367   7.245  10.551
  170    HB3  ASP  26           1HB      ASP  26   1.805   5.609  10.803
  171    H    GLU  27           H        GLU  27   2.226   6.438   6.520
  172    HA   GLU  27           HA       GLU  27  -0.618   6.175   6.908
  173    HB2  GLU  27           2HB      GLU  27   0.940   6.965   4.447
  174    HB3  GLU  27           1HB      GLU  27  -0.810   6.996   4.577
  175    HG2  GLU  27           2HG      GLU  27  -0.596   8.644   6.403
  176    HG3  GLU  27           1HG      GLU  27   1.143   8.652   6.136
  177    H    TRP  28           H        TRP  28  -1.878   5.021   5.405
  178    HA   TRP  28           HA       TRP  28  -0.721   2.385   4.770
  179    HB2  TRP  28           2HB      TRP  28  -3.589   3.066   5.479
  180    HB3  TRP  28           1HB      TRP  28  -3.067   1.507   4.889
  181    HD1  TRP  28           HD       TRP  28  -2.446   3.841   7.912
  182    HE1  TRP  28           1HE      TRP  28  -1.778   2.363   9.924
  183    HE3  TRP  28           3HE      TRP  28  -2.271  -0.697   5.579
  184    HZ2  TRP  28           2HZ      TRP  28  -1.261  -0.373  10.445
  185    HZ3  TRP  28           3HZ      TRP  28  -1.691  -2.689   6.886
  186    HH2  TRP  28           HH       TRP  28  -1.196  -2.528   9.285
  187    H    PHE  29           H        PHE  29  -0.608   1.711   2.814
  188    HA   PHE  29           HA       PHE  29  -2.003   3.167   0.670
  189    HB2  PHE  29           2HB      PHE  29   0.730   1.783   0.530
  190    HB3  PHE  29           1HB      PHE  29  -0.044   2.705  -0.724
  191    HD1  PHE  29           1HD      PHE  29   0.998   3.187   2.823
  192    HD2  PHE  29           2HD      PHE  29   0.823   4.838  -1.095
  193    HE1  PHE  29           1HE      PHE  29   2.236   5.153   3.589
  194    HE2  PHE  29           2HE      PHE  29   2.051   6.795  -0.335
  195    HZ   PHE  29           HZ       PHE  29   2.773   6.948   2.047
  196    H    HIS  30           H        HIS  30  -2.489   1.818  -1.162
  197    HA   HIS  30           HA       HIS  30  -3.051  -1.030  -0.530
  198    HB2  HIS  30           2HB      HIS  30  -3.952   0.826  -2.633
  199    HB3  HIS  30           1HB      HIS  30  -4.203  -0.829  -3.004
  200    HD2  HIS  30           2HD      HIS  30  -6.100  -1.958  -0.957
  201    HE1  HIS  30           1HE      HIS  30  -7.989   1.826  -0.718
  202    HE2  HIS  30           2HE      HIS  30  -8.309  -0.662  -0.624
  203    H    GLN  31           H        GLN  31  -1.965  -2.640  -1.482
  204    HA   GLN  31           HA       GLN  31   0.420  -2.204  -2.811
  205    HB2  GLN  31           2HB      GLN  31  -1.270  -4.713  -2.792
  206    HB3  GLN  31           1HB      GLN  31   0.322  -4.587  -3.543
  207    HG2  GLN  31           2HG      GLN  31   1.334  -4.054  -1.442
  208    HG3  GLN  31           1HG      GLN  31  -0.230  -4.098  -0.625
  209   HE21  GLN  31          1HE2      GLN  31  -1.151  -6.075  -0.192
  210   HE22  GLN  31          2HE2      GLN  31  -0.298  -7.558  -0.349
  211    H    VAL  32           H        VAL  32  -2.740  -2.761  -4.291
  212    HA   VAL  32           HA       VAL  32  -1.621  -2.743  -6.930
  213    HB   VAL  32           HB       VAL  32  -3.748  -3.892  -6.500
  214   HG11  VAL  32          1HG1      VAL  32  -4.720  -1.121  -6.091
  215   HG12  VAL  32          2HG1      VAL  32  -4.621  -2.367  -4.837
  216   HG13  VAL  32          3HG1      VAL  32  -5.795  -2.523  -6.178
  217   HG21  VAL  32          3HG2      VAL  32  -5.046  -2.940  -8.410
  218   HG22  VAL  32          1HG2      VAL  32  -3.310  -3.124  -8.765
  219   HG23  VAL  32          2HG2      VAL  32  -3.965  -1.550  -8.300
  220    H    CYS  33           H        CYS  33  -3.047  -0.401  -4.938
  221    HA   CYS  33           HA       CYS  33  -3.271   1.637  -7.014
  222    HB2  CYS  33           2HB      CYS  33  -4.284   3.101  -5.524
  223    HB3  CYS  33           1HB      CYS  33  -4.849   1.557  -4.988
  224    H    VAL  34           H        VAL  34  -0.743   0.968  -4.553
  225    HA   VAL  34           HA       VAL  34   0.618   3.310  -5.560
  226    HB   VAL  34           HB       VAL  34   0.325   2.562  -2.952
  227   HG11  VAL  34          1HG1      VAL  34   1.045   0.403  -3.146
  228   HG12  VAL  34          2HG1      VAL  34   2.050   1.377  -2.061
  229   HG13  VAL  34          3HG1      VAL  34   2.625   0.981  -3.687
  230   HG21  VAL  34          3HG2      VAL  34   2.829   3.596  -4.166
  231   HG22  VAL  34          1HG2      VAL  34   2.311   3.742  -2.466
  232   HG23  VAL  34          2HG2      VAL  34   1.346   4.505  -3.741
  233    H    GLY  35           H        GLY  35   0.236   0.382  -6.530
  234    HA2  GLY  35           2HA      GLY  35   1.450  -1.294  -7.652
  235    HA3  GLY  35           1HA      GLY  35   2.591  -0.003  -7.980
  236    H    VAL  36           H        VAL  36   1.732  -2.459  -5.465
  237    HA   VAL  36           HA       VAL  36   4.562  -2.934  -4.935
  238    HB   VAL  36           HB       VAL  36   2.170  -2.975  -3.047
  239   HG11  VAL  36          1HG1      VAL  36   5.000  -3.909  -2.489
  240   HG12  VAL  36          2HG1      VAL  36   3.530  -4.865  -2.583
  241   HG13  VAL  36          3HG1      VAL  36   3.720  -3.711  -1.266
  242   HG21  VAL  36          3HG2      VAL  36   4.659  -1.282  -3.016
  243   HG22  VAL  36          1HG2      VAL  36   3.472  -1.372  -1.702
  244   HG23  VAL  36          2HG2      VAL  36   2.972  -0.797  -3.279
  245    H    SER  37           H        SER  37   4.992  -5.357  -4.742
  246    HA   SER  37           HA       SER  37   2.813  -6.872  -5.781
  247    HB2  SER  37           2HB      SER  37   4.682  -8.473  -6.138
  248    HB3  SER  37           1HB      SER  37   4.913  -6.948  -6.985
  249    HG   SER  37           HG       SER  37   6.818  -7.333  -5.993
  250    HA   PRO  38           HA       PRO  38   1.956  -8.599  -1.791
  251    HB2  PRO  38           2HB      PRO  38   1.921 -11.333  -2.345
  252    HB3  PRO  38           1HB      PRO  38   0.576 -10.211  -2.610
  253    HG2  PRO  38           2HG      PRO  38   2.667 -11.144  -4.523
  254    HG3  PRO  38           1HG      PRO  38   0.904 -10.999  -4.771
  255    HD2  PRO  38           2HD      PRO  38   2.550  -9.156  -5.753
  256    HD3  PRO  38           1HD      PRO  38   1.043  -8.659  -4.963
  257    H    GLU  39           H        GLU  39   4.713  -9.684  -3.561
  258    HA   GLU  39           HA       GLU  39   5.925 -11.289  -1.530
  259    HB2  GLU  39           2HB      GLU  39   6.290 -11.595  -3.995
  260    HB3  GLU  39           1HB      GLU  39   7.098 -10.044  -4.013
  261    HG2  GLU  39           2HG      GLU  39   8.809 -10.893  -2.540
  262    HG3  GLU  39           1HG      GLU  39   8.022 -12.459  -2.474
  263    H    MET  40           H        MET  40   5.987  -7.896  -2.520
  264    HA   MET  40           HA       MET  40   8.415  -7.319  -1.119
  265    HB2  MET  40           2HB      MET  40   7.471  -5.872  -3.151
  266    HB3  MET  40           1HB      MET  40   6.336  -5.355  -1.999
  267    HG2  MET  40           2HG      MET  40   7.681  -4.126  -0.743
  268    HG3  MET  40           1HG      MET  40   9.153  -5.012  -1.165
  269    HE1  MET  40           3HE      MET  40   6.526  -3.507  -3.722
  270    HE2  MET  40           1HE      MET  40   7.142  -1.873  -3.943
  271    HE3  MET  40           2HE      MET  40   6.510  -2.359  -2.370
  272    H    ALA  41           H        ALA  41   4.996  -6.958  -0.547
  273    HA   ALA  41           HA       ALA  41   5.044  -5.503   1.807
  274    HB1  ALA  41           1HB      ALA  41   3.051  -7.640   1.028
  275    HB2  ALA  41           2HB      ALA  41   2.989  -5.954   0.532
  276    HB3  ALA  41           3HB      ALA  41   2.817  -6.386   2.239
  277    H    GLU  42           H        GLU  42   5.203  -8.951   1.334
  278    HA   GLU  42           HA       GLU  42   5.291  -9.496   4.178
  279    HB2  GLU  42           2HB      GLU  42   5.539 -11.365   1.844
  280    HB3  GLU  42           1HB      GLU  42   5.531 -11.875   3.517
  281    HG2  GLU  42           2HG      GLU  42   3.342 -11.004   3.877
  282    HG3  GLU  42           1HG      GLU  42   3.250 -10.330   2.256
  283    H    ASN  43           H        ASN  43   7.725  -8.947   1.788
  284    HA   ASN  43           HA       ASN  43   9.624 -10.246   3.569
  285    HB2  ASN  43           2HB      ASN  43   9.780  -9.777   0.614
  286    HB3  ASN  43           1HB      ASN  43  11.137 -10.275   1.612
  287   HD21  ASN  43          1HD2      ASN  43   9.575 -11.643  -0.555
  288   HD22  ASN  43          2HD2      ASN  43   9.132 -13.174   0.115
  289    H    GLU  44           H        GLU  44   8.926  -7.058   2.229
  290    HA   GLU  44           HA       GLU  44  11.460  -6.194   3.466
  291    HB2  GLU  44           2HB      GLU  44  10.532  -5.209   0.760
  292    HB3  GLU  44           1HB      GLU  44  11.959  -4.699   1.636
  293    HG2  GLU  44           2HG      GLU  44  12.964  -6.829   1.465
  294    HG3  GLU  44           1HG      GLU  44  11.538  -7.533   0.717
  295    H    ASP  45           H        ASP  45  11.571  -3.774   3.732
  296    HA   ASP  45           HA       ASP  45   9.139  -2.918   5.040
  297    HB2  ASP  45           2HB      ASP  45  11.745  -1.367   4.732
  298    HB3  ASP  45           1HB      ASP  45  10.440  -0.991   5.838
  299    H    TYR  46           H        TYR  46   7.641  -1.920   3.908
  300    HA   TYR  46           HA       TYR  46   8.069  -0.798   1.340
  301    HB2  TYR  46           2HB      TYR  46   5.914  -1.747   1.621
  302    HB3  TYR  46           1HB      TYR  46   5.601  -0.801   3.080
  303    HD1  TYR  46           2HD      TYR  46   6.364  -0.308  -0.574
  304    HD2  TYR  46           1HD      TYR  46   4.205   0.994   2.846
  305    HE1  TYR  46           2HE      TYR  46   5.175   1.460  -1.926
  306    HE2  TYR  46           1HE      TYR  46   3.088   2.725   1.461
  307    HH   TYR  46           HH       TYR  46   3.356   3.889  -0.413
  308    H    ILE  47           H        ILE  47   8.945   0.862   0.891
  309    HA   ILE  47           HA       ILE  47   8.803   3.353   2.493
  310    HB   ILE  47           HB       ILE  47  10.610   2.696   0.130
  311   HG12  ILE  47          2HG1      ILE  47  11.192   1.367   2.069
  312   HG13  ILE  47          1HG1      ILE  47  12.439   2.557   1.783
  313   HG21  ILE  47          1HG2      ILE  47  11.861   4.755   0.754
  314   HG22  ILE  47          2HG2      ILE  47  10.582   5.081   1.958
  315   HG23  ILE  47          3HG2      ILE  47  10.200   5.056   0.240
  316   HD11  ILE  47          3HD1      ILE  47  10.294   2.680   3.897
  317   HD12  ILE  47          1HD1      ILE  47  11.480   3.956   3.571
  318   HD13  ILE  47          2HD1      ILE  47  12.021   2.370   4.131
  319    H    CYS  48           H        CYS  48   7.797   5.347   1.498
  320    HA   CYS  48           HA       CYS  48   6.347   4.652  -0.923
  321    HB2  CYS  48           2HB      CYS  48   4.643   6.083  -0.222
  322    HB3  CYS  48           1HB      CYS  48   5.117   5.280   1.266
  323    H    ILE  49           H        ILE  49   5.772   6.809  -2.026
  324    HA   ILE  49           HA       ILE  49   7.983   8.010  -3.189
  325    HB   ILE  49           HB       ILE  49   5.816   7.970  -4.232
  326   HG12  ILE  49          2HG1      ILE  49   6.638  10.797  -3.712
  327   HG13  ILE  49          1HG1      ILE  49   7.456   9.722  -4.852
  328   HG21  ILE  49          1HG2      ILE  49   4.393   8.247  -2.309
  329   HG22  ILE  49          2HG2      ILE  49   3.997   9.455  -3.541
  330   HG23  ILE  49          3HG2      ILE  49   4.944   9.909  -2.112
  331   HD11  ILE  49          3HD1      ILE  49   5.387   9.514  -6.119
  332   HD12  ILE  49          1HD1      ILE  49   5.913  11.202  -6.028
  333   HD13  ILE  49          2HD1      ILE  49   4.596  10.603  -4.991
  334    H    ASN  50           H        ASN  50   6.069   9.201  -0.395
  335    HA   ASN  50           HA       ASN  50   7.569  11.668  -0.267
  336    HB2  ASN  50           2HB      ASN  50   5.709  10.498   1.832
  337    HB3  ASN  50           1HB      ASN  50   6.354  12.128   1.841
  338   HD21  ASN  50          1HD2      ASN  50   3.903  10.032   0.689
  339   HD22  ASN  50          2HD2      ASN  50   3.047  11.248  -0.192
  340    H    CYS  51           H        CYS  51   7.823   8.534   1.029
  341    HA   CYS  51           HA       CYS  51   9.680   9.218   3.132
  342    HB2  CYS  51           2HB      CYS  51   8.864   6.568   1.964
  343    HB3  CYS  51           1HB      CYS  51  10.164   6.722   3.125
  344    H    ALA  52           H        ALA  52   9.854   8.458  -0.163
  345    HA   ALA  52           HA       ALA  52  12.642   7.694  -0.071
  346    HB1  ALA  52           3HB      ALA  52  11.182   6.569  -1.594
  347    HB2  ALA  52           1HB      ALA  52  12.472   7.381  -2.495
  348    HB3  ALA  52           2HB      ALA  52  10.847   8.084  -2.457
  Start of MODEL   14
    1    HA   SER   1           HA       SER   1 -12.776   4.752   3.096
    2    HB2  SER   1           2HB      SER   1 -14.319   6.080   1.582
    3    HB3  SER   1           1HB      SER   1 -14.623   6.345   3.290
    4    HG   SER   1           HG       SER   1 -14.470   8.345   2.757
    5    H    VAL   2           H        VAL   2 -10.519   7.238   2.611
    6    HA   VAL   2           HA       VAL   2  -9.722   6.057   0.045
    7    HB   VAL   2           HB       VAL   2  -9.174   8.933   0.865
    8   HG11  VAL   2          1HG1      VAL   2  -7.628   8.009  -0.748
    9   HG12  VAL   2          2HG1      VAL   2  -8.622   9.269  -1.481
   10   HG13  VAL   2          3HG1      VAL   2  -8.967   7.571  -1.808
   11   HG21  VAL   2          3HG2      VAL   2 -11.595   8.705   0.614
   12   HG22  VAL   2          1HG2      VAL   2 -11.380   7.967  -0.978
   13   HG23  VAL   2          2HG2      VAL   2 -10.929   9.651  -0.718
   14    H    CYS   3           H        CYS   3  -7.534   5.393   0.032
   15    HA   CYS   3           HA       CYS   3  -6.207   5.676   2.597
   16    HB2  CYS   3           2HB      CYS   3  -5.207   3.648   2.139
   17    HB3  CYS   3           1HB      CYS   3  -6.474   3.490   0.968
   18    H    ALA   4           H        ALA   4  -3.580   5.607   1.953
   19    HA   ALA   4           HA       ALA   4  -3.169   8.193   0.654
   20    HB1  ALA   4           1HB      ALA   4  -0.901   8.056   1.635
   21    HB2  ALA   4           2HB      ALA   4  -1.290   6.480   2.300
   22    HB3  ALA   4           3HB      ALA   4  -2.155   7.907   2.874
   23    H    ALA   5           H        ALA   5  -2.727   8.057  -1.470
   24    HA   ALA   5           HA       ALA   5  -0.402   6.791  -2.442
   25    HB1  ALA   5           1HB      ALA   5  -3.027   5.577  -3.385
   26    HB2  ALA   5           2HB      ALA   5  -1.840   4.766  -2.411
   27    HB3  ALA   5           3HB      ALA   5  -1.450   5.194  -4.072
   28    H    GLN   6           H        GLN   6   0.234   7.850  -4.345
   29    HA   GLN   6           HA       GLN   6  -0.676  10.192  -5.228
   30    HB2  GLN   6           2HB      GLN   6   0.357   7.977  -7.033
   31    HB3  GLN   6           1HB      GLN   6   0.452   9.702  -7.336
   32    HG2  GLN   6           2HG      GLN   6   2.027   9.929  -5.547
   33    HG3  GLN   6           1HG      GLN   6   1.826   8.224  -5.112
   34   HE21  GLN   6          1HE2      GLN   6   2.629   6.601  -6.485
   35   HE22  GLN   6          2HE2      GLN   6   3.809   6.971  -7.691
   36    H    ASN   7           H        ASN   7  -1.537   7.167  -6.474
   37    HA   ASN   7           HA       ASN   7  -4.125   8.184  -7.493
   38    HB2  ASN   7           2HB      ASN   7  -2.338   6.215  -8.947
   39    HB3  ASN   7           1HB      ASN   7  -4.003   6.498  -9.406
   40   HD21  ASN   7          1HD2      ASN   7  -1.531   6.883 -10.939
   41   HD22  ASN   7          2HD2      ASN   7  -1.532   8.553 -11.394
   42    H    CYS   8           H        CYS   8  -5.397   7.389  -5.768
   43    HA   CYS   8           HA       CYS   8  -4.946   4.627  -5.234
   44    HB2  CYS   8           2HB      CYS   8  -5.069   5.961  -3.220
   45    HB3  CYS   8           1HB      CYS   8  -6.657   6.575  -3.696
   46    H    GLN   9           H        GLN   9  -6.089   3.179  -5.949
   47    HA   GLN   9           HA       GLN   9  -8.308   3.632  -7.743
   48    HB2  GLN   9           2HB      GLN   9  -7.116   1.055  -6.740
   49    HB3  GLN   9           1HB      GLN   9  -8.161   1.230  -8.139
   50    HG2  GLN   9           2HG      GLN   9  -6.445   2.536  -9.284
   51    HG3  GLN   9           1HG      GLN   9  -5.424   2.437  -7.835
   52   HE21  GLN   9          1HE2      GLN   9  -3.773   1.469  -8.898
   53   HE22  GLN   9          2HE2      GLN   9  -3.849  -0.167  -9.428
   54    H    ARG  10           H        ARG  10  -8.033   3.188  -4.437
   55    HA   ARG  10           HA       ARG  10  -9.329   2.451  -2.717
   56    HB2  ARG  10           2HB      ARG  10 -11.269   3.664  -4.629
   57    HB3  ARG  10           1HB      ARG  10 -11.809   3.030  -3.086
   58    HG2  ARG  10           2HG      ARG  10 -10.478   4.557  -1.869
   59    HG3  ARG  10           1HG      ARG  10  -9.577   5.016  -3.309
   60    HD2  ARG  10           2HD      ARG  10 -12.540   5.535  -2.994
   61    HD3  ARG  10           1HD      ARG  10 -11.291   6.664  -2.492
   62    HE   ARG  10           HE       ARG  10 -10.889   5.814  -5.141
   63   HH11  ARG  10          1HH1      ARG  10 -13.109   7.894  -3.303
   64   HH12  ARG  10          2HH1      ARG  10 -13.165   9.130  -4.473
   65   HH21  ARG  10          1HH2      ARG  10 -10.951   7.562  -6.768
   66   HH22  ARG  10          2HH2      ARG  10 -11.884   8.952  -6.457
   67    HA   PRO  11           HA       PRO  11 -10.981  -1.556  -4.714
   68    HB2  PRO  11           2HB      PRO  11  -8.454  -2.847  -4.002
   69    HB3  PRO  11           1HB      PRO  11  -9.287  -2.862  -5.579
   70    HG2  PRO  11           2HG      PRO  11  -6.978  -1.562  -5.165
   71    HG3  PRO  11           1HG      PRO  11  -8.211  -0.899  -6.250
   72    HD2  PRO  11           2HD      PRO  11  -7.578  -0.223  -3.404
   73    HD3  PRO  11           1HD      PRO  11  -7.876   0.873  -4.761
   74    H    CYS  12           H        CYS  12 -11.933  -3.054  -3.306
   75    HA   CYS  12           HA       CYS  12 -10.816  -3.357  -0.631
   76    HB2  CYS  12           2HB      CYS  12 -12.500  -1.598  -0.473
   77    HB3  CYS  12           1HB      CYS  12 -13.690  -2.624  -1.260
   78    HG   CYS  12           HG       CYS  12 -14.302  -2.409   1.435
   79    H    LYS  13           H        LYS  13 -10.441  -5.478  -0.424
   80    HA   LYS  13           HA       LYS  13 -12.565  -7.389  -1.035
   81    HB2  LYS  13           2HB      LYS  13  -9.688  -7.750  -1.933
   82    HB3  LYS  13           1HB      LYS  13 -10.914  -8.989  -1.980
   83    HG2  LYS  13           2HG      LYS  13 -12.164  -7.632  -3.590
   84    HG3  LYS  13           1HG      LYS  13 -10.853  -6.440  -3.590
   85    HD2  LYS  13           2HD      LYS  13  -9.298  -8.160  -4.366
   86    HD3  LYS  13           1HD      LYS  13 -10.593  -9.366  -4.346
   87    HE2  LYS  13           2HE      LYS  13 -11.783  -8.031  -6.045
   88    HE3  LYS  13           1HE      LYS  13 -10.435  -6.898  -6.098
   89    HZ1  LYS  13           3HZ      LYS  13 -10.303  -9.778  -6.771
   90    HZ2  LYS  13           1HZ      LYS  13  -9.000  -8.721  -6.869
   91    HZ3  LYS  13           2HZ      LYS  13 -10.323  -8.541  -7.909
   92    H    ASP  14           H        ASP  14 -12.462  -9.247   0.276
   93    HA   ASP  14           HA       ASP  14 -11.321  -8.925   2.832
   94    HB2  ASP  14           2HB      ASP  14 -12.570 -11.313   1.493
   95    HB3  ASP  14           1HB      ASP  14 -12.003 -11.343   3.139
   96    H    LYS  15           H        LYS  15  -9.760  -9.770   0.053
   97    HA   LYS  15           HA       LYS  15  -7.816 -11.425   1.515
   98    HB2  LYS  15           2HB      LYS  15  -8.645 -11.634  -1.375
   99    HB3  LYS  15           1HB      LYS  15  -7.285 -12.499  -0.695
  100    HG2  LYS  15           2HG      LYS  15  -8.783 -13.691   0.836
  101    HG3  LYS  15           1HG      LYS  15 -10.156 -12.791   0.224
  102    HD2  LYS  15           2HD      LYS  15  -9.785 -13.732  -2.011
  103    HD3  LYS  15           1HD      LYS  15  -8.398 -14.624  -1.395
  104    HE2  LYS  15           2HE      LYS  15  -9.820 -15.881   0.104
  105    HE3  LYS  15           1HE      LYS  15 -11.234 -14.950  -0.402
  106    HZ1  LYS  15           3HZ      LYS  15 -11.108 -17.115  -1.495
  107    HZ2  LYS  15           1HZ      LYS  15  -9.590 -16.725  -2.110
  108    HZ3  LYS  15           2HZ      LYS  15 -10.936 -15.871  -2.632
  109    H    VAL  16           H        VAL  16  -8.082  -8.378   0.568
  110    HA   VAL  16           HA       VAL  16  -5.451  -8.340  -0.680
  111    HB   VAL  16           HB       VAL  16  -7.090  -7.184  -2.091
  112   HG11  VAL  16          1HG1      VAL  16  -7.496  -5.415   0.256
  113   HG12  VAL  16          2HG1      VAL  16  -8.680  -6.569  -0.372
  114   HG13  VAL  16          3HG1      VAL  16  -8.214  -5.151  -1.339
  115   HG21  VAL  16          3HG2      VAL  16  -5.294  -5.192  -0.746
  116   HG22  VAL  16          1HG2      VAL  16  -5.987  -5.026  -2.345
  117   HG23  VAL  16          2HG2      VAL  16  -4.775  -6.294  -2.024
  118    H    ASP  17           H        ASP  17  -4.052  -8.262   0.674
  119    HA   ASP  17           HA       ASP  17  -4.042  -6.828   3.139
  120    HB2  ASP  17           2HB      ASP  17  -2.703  -8.877   2.765
  121    HB3  ASP  17           1HB      ASP  17  -1.678  -7.976   1.657
  122    H    TRP  18           H        TRP  18  -2.825  -5.057   3.802
  123    HA   TRP  18           HA       TRP  18  -2.439  -2.972   1.729
  124    HB2  TRP  18           2HB      TRP  18  -3.342  -2.739   4.609
  125    HB3  TRP  18           1HB      TRP  18  -3.061  -1.376   3.522
  126    HD1  TRP  18           HD       TRP  18  -5.177  -4.590   2.994
  127    HE1  TRP  18           1HE      TRP  18  -7.522  -3.900   2.313
  128    HE3  TRP  18           3HE      TRP  18  -4.579   0.460   3.304
  129    HZ2  TRP  18           2HZ      TRP  18  -9.019  -1.441   1.991
  130    HZ3  TRP  18           3HZ      TRP  18  -6.487   1.909   2.815
  131    HH2  TRP  18           HH       TRP  18  -8.673   0.977   2.174
  132    H    VAL  19           H        VAL  19  -0.699  -1.232   2.376
  133    HA   VAL  19           HA       VAL  19   1.280  -2.478   4.054
  134    HB   VAL  19           HB       VAL  19   3.020  -1.533   2.481
  135   HG11  VAL  19          1HG1      VAL  19   2.449  -3.949   2.407
  136   HG12  VAL  19          2HG1      VAL  19   2.825  -3.306   0.802
  137   HG13  VAL  19          3HG1      VAL  19   1.154  -3.580   1.263
  138   HG21  VAL  19          3HG2      VAL  19   2.357  -0.987   0.180
  139   HG22  VAL  19          1HG2      VAL  19   1.608   0.102   1.350
  140   HG23  VAL  19          2HG2      VAL  19   0.651  -1.183   0.618
  141    H    GLN  20           H        GLN  20   2.151  -1.176   5.484
  142    HA   GLN  20           HA       GLN  20   1.346   1.645   5.487
  143    HB2  GLN  20           2HB      GLN  20   0.805   0.284   7.518
  144    HB3  GLN  20           1HB      GLN  20   2.528  -0.031   7.731
  145    HG2  GLN  20           2HG      GLN  20   2.929   2.367   8.047
  146    HG3  GLN  20           1HG      GLN  20   1.226   2.709   7.851
  147   HE21  GLN  20          1HE2      GLN  20   2.994   3.246  10.075
  148   HE22  GLN  20          2HE2      GLN  20   2.290   2.506  11.443
  149    H    CYS  21           H        CYS  21   2.909   3.246   5.422
  150    HA   CYS  21           HA       CYS  21   5.548   2.231   4.739
  151    HB2  CYS  21           2HB      CYS  21   6.058   4.512   3.824
  152    HB3  CYS  21           1HB      CYS  21   4.553   3.894   3.212
  153    H    ASP  22           H        ASP  22   6.895   1.849   6.263
  154    HA   ASP  22           HA       ASP  22   6.713   3.233   8.818
  155    HB2  ASP  22           2HB      ASP  22   8.403   0.874   7.934
  156    HB3  ASP  22           1HB      ASP  22   8.471   1.594   9.533
  157    H    GLY  23           H        GLY  23   7.695   4.498   6.397
  158    HA2  GLY  23           2HA      GLY  23  10.514   5.010   6.978
  159    HA3  GLY  23           1HA      GLY  23   9.602   5.642   5.615
  160    H    GLY  24           H        GLY  24   7.411   6.230   7.788
  161    HA2  GLY  24           2HA      GLY  24   7.968   7.900   9.729
  162    HA3  GLY  24           1HA      GLY  24   8.532   8.869   8.382
  163    H    CYS  25           H        CYS  25   5.877   7.523   6.989
  164    HA   CYS  25           HA       CYS  25   4.250   9.848   7.790
  165    HB2  CYS  25           2HB      CYS  25   3.462   7.778   5.736
  166    HB3  CYS  25           1HB      CYS  25   2.846   9.415   5.896
  167    H    ASP  26           H        ASP  26   4.375   6.452   8.157
  168    HA   ASP  26           HA       ASP  26   3.147   4.826   9.124
  169    HB2  ASP  26           2HB      ASP  26   1.883   7.080  10.744
  170    HB3  ASP  26           1HB      ASP  26   1.792   5.365  11.091
  171    H    GLU  27           H        GLU  27   2.030   6.376   6.804
  172    HA   GLU  27           HA       GLU  27  -0.801   6.002   7.167
  173    HB2  GLU  27           2HB      GLU  27   0.760   7.114   4.833
  174    HB3  GLU  27           1HB      GLU  27  -0.989   6.999   4.859
  175    HG2  GLU  27           2HG      GLU  27  -1.039   8.445   6.828
  176    HG3  GLU  27           1HG      GLU  27   0.708   8.587   6.774
  177    H    TRP  28           H        TRP  28  -2.030   4.964   5.460
  178    HA   TRP  28           HA       TRP  28  -0.832   2.335   4.832
  179    HB2  TRP  28           2HB      TRP  28  -3.731   3.002   5.392
  180    HB3  TRP  28           1HB      TRP  28  -3.156   1.449   4.833
  181    HD1  TRP  28           HD       TRP  28  -2.853   3.773   7.904
  182    HE1  TRP  28           1HE      TRP  28  -2.263   2.291   9.950
  183    HE3  TRP  28           3HE      TRP  28  -2.251  -0.709   5.542
  184    HZ2  TRP  28           2HZ      TRP  28  -1.645  -0.408  10.473
  185    HZ3  TRP  28           3HZ      TRP  28  -1.669  -2.687   6.861
  186    HH2  TRP  28           HH       TRP  28  -1.373  -2.542   9.300
  187    H    PHE  29           H        PHE  29  -0.649   1.684   2.883
  188    HA   PHE  29           HA       PHE  29  -2.028   3.118   0.699
  189    HB2  PHE  29           2HB      PHE  29   0.706   1.738   0.575
  190    HB3  PHE  29           1HB      PHE  29  -0.062   2.713  -0.653
  191    HD1  PHE  29           1HD      PHE  29   1.025   3.001   2.883
  192    HD2  PHE  29           2HD      PHE  29   0.723   4.903  -0.906
  193    HE1  PHE  29           1HE      PHE  29   2.227   4.932   3.754
  194    HE2  PHE  29           2HE      PHE  29   1.930   6.837  -0.033
  195    HZ   PHE  29           HZ       PHE  29   2.688   6.833   2.345
  196    H    HIS  30           H        HIS  30  -2.579   1.778  -1.065
  197    HA   HIS  30           HA       HIS  30  -3.082  -1.078  -0.423
  198    HB2  HIS  30           2HB      HIS  30  -3.938   0.724  -2.614
  199    HB3  HIS  30           1HB      HIS  30  -4.151  -0.962  -2.900
  200    HD2  HIS  30           2HD      HIS  30  -6.138  -2.027  -0.979
  201    HE1  HIS  30           1HE      HIS  30  -8.064   1.736  -0.882
  202    HE2  HIS  30           2HE      HIS  30  -8.355  -0.747  -0.773
  203    H    GLN  31           H        GLN  31  -2.019  -2.691  -1.393
  204    HA   GLN  31           HA       GLN  31   0.430  -2.225  -2.582
  205    HB2  GLN  31           2HB      GLN  31  -1.312  -4.661  -2.717
  206    HB3  GLN  31           1HB      GLN  31   0.285  -4.594  -3.475
  207    HG2  GLN  31           2HG      GLN  31   1.295  -4.105  -1.336
  208    HG3  GLN  31           1HG      GLN  31  -0.282  -4.199  -0.550
  209   HE21  GLN  31          1HE2      GLN  31  -1.182  -6.207  -0.204
  210   HE22  GLN  31          2HE2      GLN  31  -0.294  -7.671  -0.431
  211    H    VAL  32           H        VAL  32  -2.630  -2.946  -4.295
  212    HA   VAL  32           HA       VAL  32  -1.403  -2.781  -6.841
  213    HB   VAL  32           HB       VAL  32  -3.517  -4.006  -6.496
  214   HG11  VAL  32          1HG1      VAL  32  -5.599  -2.752  -6.224
  215   HG12  VAL  32          2HG1      VAL  32  -4.595  -1.280  -6.084
  216   HG13  VAL  32          3HG1      VAL  32  -4.485  -2.526  -4.843
  217   HG21  VAL  32          3HG2      VAL  32  -2.959  -3.126  -8.729
  218   HG22  VAL  32          1HG2      VAL  32  -3.812  -1.647  -8.277
  219   HG23  VAL  32          2HG2      VAL  32  -4.713  -3.175  -8.465
  220    H    CYS  33           H        CYS  33  -2.986  -0.527  -4.886
  221    HA   CYS  33           HA       CYS  33  -3.156   1.524  -6.940
  222    HB2  CYS  33           2HB      CYS  33  -4.330   2.928  -5.466
  223    HB3  CYS  33           1HB      CYS  33  -4.738   1.348  -4.899
  224    H    VAL  34           H        VAL  34  -0.647   0.777  -4.519
  225    HA   VAL  34           HA       VAL  34   0.713   3.095  -5.571
  226    HB   VAL  34           HB       VAL  34   0.302   2.431  -2.964
  227   HG11  VAL  34          1HG1      VAL  34   2.048   1.469  -1.882
  228   HG12  VAL  34          2HG1      VAL  34   2.788   1.054  -3.421
  229   HG13  VAL  34          3HG1      VAL  34   1.232   0.344  -2.985
  230   HG21  VAL  34          3HG2      VAL  34   2.759   3.682  -4.055
  231   HG22  VAL  34          1HG2      VAL  34   2.116   3.838  -2.398
  232   HG23  VAL  34          2HG2      VAL  34   1.165   4.434  -3.761
  233    H    GLY  35           H        GLY  35   0.351   0.230  -6.627
  234    HA2  GLY  35           2HA      GLY  35   1.548  -1.275  -7.932
  235    HA3  GLY  35           1HA      GLY  35   2.776  -0.041  -7.999
  236    H    VAL  36           H        VAL  36   1.807  -1.908  -5.092
  237    HA   VAL  36           HA       VAL  36   4.525  -2.933  -4.870
  238    HB   VAL  36           HB       VAL  36   2.122  -3.039  -3.025
  239   HG11  VAL  36          1HG1      VAL  36   4.937  -4.061  -2.464
  240   HG12  VAL  36          2HG1      VAL  36   3.475  -4.997  -2.683
  241   HG13  VAL  36          3HG1      VAL  36   3.602  -3.933  -1.290
  242   HG21  VAL  36          3HG2      VAL  36   3.041  -0.840  -3.215
  243   HG22  VAL  36          1HG2      VAL  36   4.659  -1.437  -2.866
  244   HG23  VAL  36          2HG2      VAL  36   3.424  -1.518  -1.623
  245    H    SER  37           H        SER  37   4.978  -5.317  -4.825
  246    HA   SER  37           HA       SER  37   2.844  -6.797  -5.967
  247    HB2  SER  37           2HB      SER  37   4.727  -8.392  -6.328
  248    HB3  SER  37           1HB      SER  37   4.921  -6.854  -7.165
  249    HG   SER  37           HG       SER  37   6.855  -7.158  -6.188
  250    HA   PRO  38           HA       PRO  38   1.832  -8.641  -2.077
  251    HB2  PRO  38           2HB      PRO  38   2.228 -11.284  -3.371
  252    HB3  PRO  38           1HB      PRO  38   0.846 -10.662  -2.459
  253    HG2  PRO  38           2HG      PRO  38   0.726 -10.786  -5.094
  254    HG3  PRO  38           1HG      PRO  38   0.062  -9.381  -4.223
  255    HD2  PRO  38           2HD      PRO  38   2.584  -9.643  -5.789
  256    HD3  PRO  38           1HD      PRO  38   1.476  -8.272  -5.666
  257    H    GLU  39           H        GLU  39   4.750  -9.984  -3.685
  258    HA   GLU  39           HA       GLU  39   5.679 -11.332  -1.406
  259    HB2  GLU  39           2HB      GLU  39   6.909 -10.545  -4.014
  260    HB3  GLU  39           1HB      GLU  39   7.694 -11.519  -2.794
  261    HG2  GLU  39           2HG      GLU  39   5.830 -13.158  -3.013
  262    HG3  GLU  39           1HG      GLU  39   5.191 -12.189  -4.329
  263    H    MET  40           H        MET  40   5.933  -8.077  -2.565
  264    HA   MET  40           HA       MET  40   8.369  -7.465  -1.151
  265    HB2  MET  40           2HB      MET  40   7.389  -6.033  -3.202
  266    HB3  MET  40           1HB      MET  40   6.303  -5.496  -2.016
  267    HG2  MET  40           2HG      MET  40   7.700  -4.316  -0.785
  268    HG3  MET  40           1HG      MET  40   9.145  -5.212  -1.277
  269    HE1  MET  40           3HE      MET  40   6.500  -2.525  -2.357
  270    HE2  MET  40           1HE      MET  40   6.447  -3.677  -3.692
  271    HE3  MET  40           2HE      MET  40   7.096  -2.053  -3.951
  272    H    ALA  41           H        ALA  41   4.962  -7.165  -0.555
  273    HA   ALA  41           HA       ALA  41   4.966  -5.578   1.703
  274    HB1  ALA  41           1HB      ALA  41   3.054  -7.850   1.060
  275    HB2  ALA  41           2HB      ALA  41   2.955  -6.214   0.453
  276    HB3  ALA  41           3HB      ALA  41   2.760  -6.517   2.177
  277    H    GLU  42           H        GLU  42   5.292  -9.042   1.547
  278    HA   GLU  42           HA       GLU  42   5.666  -9.211   4.455
  279    HB2  GLU  42           2HB      GLU  42   5.569 -11.447   2.482
  280    HB3  GLU  42           1HB      GLU  42   5.877 -11.675   4.189
  281    HG2  GLU  42           2HG      GLU  42   3.638 -10.670   4.696
  282    HG3  GLU  42           1HG      GLU  42   3.296 -10.612   2.977
  283    H    ASN  43           H        ASN  43   7.848  -8.850   1.898
  284    HA   ASN  43           HA       ASN  43   9.910 -10.123   3.528
  285    HB2  ASN  43           2HB      ASN  43   9.785  -9.761   0.567
  286    HB3  ASN  43           1HB      ASN  43  11.251 -10.172   1.425
  287   HD21  ASN  43          1HD2      ASN  43   9.784 -11.728  -0.548
  288   HD22  ASN  43          2HD2      ASN  43   9.380 -13.227   0.230
  289    H    GLU  44           H        GLU  44   9.006  -7.069   2.071
  290    HA   GLU  44           HA       GLU  44  11.587  -6.020   2.967
  291    HB2  GLU  44           2HB      GLU  44  10.130  -5.327   0.427
  292    HB3  GLU  44           1HB      GLU  44  11.556  -4.501   1.011
  293    HG2  GLU  44           2HG      GLU  44  12.901  -6.484   0.733
  294    HG3  GLU  44           1HG      GLU  44  11.490  -7.428   0.299
  295    H    ASP  45           H        ASP  45  11.531  -3.890   3.652
  296    HA   ASP  45           HA       ASP  45   9.074  -3.145   4.929
  297    HB2  ASP  45           2HB      ASP  45  11.748  -1.708   4.824
  298    HB3  ASP  45           1HB      ASP  45  10.417  -1.327   5.912
  299    H    TYR  46           H        TYR  46   7.561  -2.054   3.863
  300    HA   TYR  46           HA       TYR  46   7.993  -0.740   1.413
  301    HB2  TYR  46           2HB      TYR  46   5.812  -1.708   1.759
  302    HB3  TYR  46           1HB      TYR  46   5.527  -0.714   3.187
  303    HD1  TYR  46           2HD      TYR  46   5.917  -0.588  -0.528
  304    HD2  TYR  46           1HD      TYR  46   4.605   1.444   2.976
  305    HE1  TYR  46           2HE      TYR  46   4.829   1.218  -1.908
  306    HE2  TYR  46           1HE      TYR  46   3.596   3.197   1.563
  307    HH   TYR  46           HH       TYR  46   3.200   2.822  -1.704
  308    H    ILE  47           H        ILE  47   8.891   0.913   1.093
  309    HA   ILE  47           HA       ILE  47   8.650   3.349   2.759
  310    HB   ILE  47           HB       ILE  47  10.538   2.816   0.423
  311   HG12  ILE  47          2HG1      ILE  47  11.137   1.430   2.342
  312   HG13  ILE  47          1HG1      ILE  47  12.332   2.686   2.116
  313   HG21  ILE  47          1HG2      ILE  47  10.397   5.112   2.357
  314   HG22  ILE  47          2HG2      ILE  47  10.043   5.186   0.622
  315   HG23  ILE  47          3HG2      ILE  47  11.699   4.901   1.174
  316   HD11  ILE  47          3HD1      ILE  47  11.307   3.965   3.947
  317   HD12  ILE  47          1HD1      ILE  47  11.839   2.355   4.455
  318   HD13  ILE  47          2HD1      ILE  47  10.122   2.679   4.150
  319    H    CYS  48           H        CYS  48   7.629   5.342   1.742
  320    HA   CYS  48           HA       CYS  48   6.205   4.607  -0.685
  321    HB2  CYS  48           2HB      CYS  48   4.473   6.026   0.013
  322    HB3  CYS  48           1HB      CYS  48   4.961   5.224   1.496
  323    H    ILE  49           H        ILE  49   5.588   6.753  -1.800
  324    HA   ILE  49           HA       ILE  49   7.807   7.973  -2.941
  325    HB   ILE  49           HB       ILE  49   5.701   7.941  -4.072
  326   HG12  ILE  49          2HG1      ILE  49   6.434  10.766  -3.431
  327   HG13  ILE  49          1HG1      ILE  49   7.308   9.732  -4.559
  328   HG21  ILE  49          1HG2      ILE  49   3.817   9.367  -3.422
  329   HG22  ILE  49          2HG2      ILE  49   4.686   9.778  -1.935
  330   HG23  ILE  49          3HG2      ILE  49   4.180   8.110  -2.228
  331   HD11  ILE  49          3HD1      ILE  49   5.828  11.208  -5.777
  332   HD12  ILE  49          1HD1      ILE  49   4.450  10.608  -4.828
  333   HD13  ILE  49          2HD1      ILE  49   5.313   9.517  -5.903
  334    H    ASN  50           H        ASN  50   5.823   9.142  -0.250
  335    HA   ASN  50           HA       ASN  50   7.224  11.657  -0.046
  336    HB2  ASN  50           2HB      ASN  50   5.277  10.350   1.885
  337    HB3  ASN  50           1HB      ASN  50   5.940  11.970   2.071
  338   HD21  ASN  50          1HD2      ASN  50   5.173  13.626   0.778
  339   HD22  ASN  50          2HD2      ASN  50   3.765  13.454  -0.198
  340    H    CYS  51           H        CYS  51   7.510   8.533   1.346
  341    HA   CYS  51           HA       CYS  51   9.353   9.316   3.426
  342    HB2  CYS  51           2HB      CYS  51   8.643   6.597   2.328
  343    HB3  CYS  51           1HB      CYS  51   9.923   6.831   3.501
  344    H    ALA  52           H        ALA  52   9.565   8.537   0.151
  345    HA   ALA  52           HA       ALA  52  12.386   7.844   0.254
  346    HB1  ALA  52           3HB      ALA  52  10.566   8.156  -2.137
  347    HB2  ALA  52           1HB      ALA  52  10.923   6.660  -1.268
  348    HB3  ALA  52           2HB      ALA  52  12.221   7.480  -2.139
  Start of MODEL   15
    1    HA   SER   1           HA       SER   1 -12.570   4.283   2.692
    2    HB2  SER   1           2HB      SER   1 -13.568   6.995   1.735
    3    HB3  SER   1           1HB      SER   1 -14.134   5.425   1.148
    4    HG   SER   1           HG       SER   1 -14.238   6.168   3.879
    5    H    VAL   2           H        VAL   2 -10.393   6.806   2.250
    6    HA   VAL   2           HA       VAL   2  -9.380   5.688  -0.279
    7    HB   VAL   2           HB       VAL   2  -9.354   8.637   0.508
    8   HG11  VAL   2          1HG1      VAL   2  -8.585   9.019  -1.791
    9   HG12  VAL   2          2HG1      VAL   2  -8.596   7.287  -2.066
   10   HG13  VAL   2          3HG1      VAL   2  -7.464   7.982  -0.888
   11   HG21  VAL   2          3HG2      VAL   2 -11.629   7.956  -0.048
   12   HG22  VAL   2          1HG2      VAL   2 -11.075   7.296  -1.590
   13   HG23  VAL   2          2HG2      VAL   2 -10.968   9.026  -1.300
   14    H    CYS   3           H        CYS   3  -7.089   5.391  -0.218
   15    HA   CYS   3           HA       CYS   3  -6.042   5.858   2.460
   16    HB2  CYS   3           2HB      CYS   3  -4.750   3.936   2.245
   17    HB3  CYS   3           1HB      CYS   3  -6.096   3.521   1.182
   18    H    ALA   4           H        ALA   4  -3.433   5.758   1.978
   19    HA   ALA   4           HA       ALA   4  -2.942   8.372   0.757
   20    HB1  ALA   4           1HB      ALA   4  -1.124   6.581   2.410
   21    HB2  ALA   4           2HB      ALA   4  -1.961   8.019   2.974
   22    HB3  ALA   4           3HB      ALA   4  -0.675   8.165   1.791
   23    H    ALA   5           H        ALA   5  -2.394   8.313  -1.363
   24    HA   ALA   5           HA       ALA   5  -0.075   6.932  -2.234
   25    HB1  ALA   5           1HB      ALA   5  -2.687   5.977  -3.496
   26    HB2  ALA   5           2HB      ALA   5  -1.689   5.022  -2.423
   27    HB3  ALA   5           3HB      ALA   5  -1.063   5.498  -3.986
   28    H    GLN   6           H        GLN   6   0.791   8.017  -4.039
   29    HA   GLN   6           HA       GLN   6   0.039  10.368  -5.002
   30    HB2  GLN   6           2HB      GLN   6   2.089   9.067  -5.561
   31    HB3  GLN   6           1HB      GLN   6   1.162   8.069  -6.641
   32    HG2  GLN   6           2HG      GLN   6   0.690  10.125  -8.024
   33    HG3  GLN   6           1HG      GLN   6   1.795  10.996  -6.983
   34   HE21  GLN   6          1HE2      GLN   6   3.993  10.586  -7.176
   35   HE22  GLN   6          2HE2      GLN   6   4.645   9.701  -8.508
   36    H    ASN   7           H        ASN   7  -0.961   7.359  -6.158
   37    HA   ASN   7           HA       ASN   7  -3.469   8.522  -7.179
   38    HB2  ASN   7           2HB      ASN   7  -2.021   8.128  -9.137
   39    HB3  ASN   7           1HB      ASN   7  -1.899   6.428  -8.699
   40   HD21  ASN   7          1HD2      ASN   7  -2.771   5.809 -10.699
   41   HD22  ASN   7          2HD2      ASN   7  -4.456   5.986 -11.053
   42    H    CYS   8           H        CYS   8  -4.836   7.751  -5.600
   43    HA   CYS   8           HA       CYS   8  -4.533   4.972  -4.976
   44    HB2  CYS   8           2HB      CYS   8  -4.623   6.387  -2.991
   45    HB3  CYS   8           1HB      CYS   8  -6.151   7.093  -3.529
   46    H    GLN   9           H        GLN   9  -6.422   3.762  -4.771
   47    HA   GLN   9           HA       GLN   9  -8.435   4.275  -6.882
   48    HB2  GLN   9           2HB      GLN   9  -7.246   1.610  -6.063
   49    HB3  GLN   9           1HB      GLN   9  -8.460   1.871  -7.303
   50    HG2  GLN   9           2HG      GLN   9  -6.830   3.169  -8.630
   51    HG3  GLN   9           1HG      GLN   9  -5.638   2.910  -7.361
   52   HE21  GLN   9          1HE2      GLN   9  -4.240   1.896  -8.780
   53   HE22  GLN   9          2HE2      GLN   9  -4.541   0.305  -9.357
   54    H    ARG  10           H        ARG  10 -10.379   2.782  -6.498
   55    HA   ARG  10           HA       ARG  10 -11.111   2.798  -3.642
   56    HB2  ARG  10           2HB      ARG  10 -12.745   3.292  -6.136
   57    HB3  ARG  10           1HB      ARG  10 -13.450   3.094  -4.541
   58    HG2  ARG  10           2HG      ARG  10 -11.372   5.207  -5.060
   59    HG3  ARG  10           1HG      ARG  10 -13.059   5.469  -5.454
   60    HD2  ARG  10           2HD      ARG  10 -12.049   4.717  -2.687
   61    HD3  ARG  10           1HD      ARG  10 -12.486   6.327  -3.228
   62    HE   ARG  10           HE       ARG  10 -14.696   5.334  -3.846
   63   HH11  ARG  10          1HH1      ARG  10 -12.929   4.266  -0.950
   64   HH12  ARG  10          2HH1      ARG  10 -14.375   3.831  -0.124
   65   HH21  ARG  10          1HH2      ARG  10 -16.586   4.721  -2.685
   66   HH22  ARG  10          2HH2      ARG  10 -16.452   4.087  -1.105
   67    HA   PRO  11           HA       PRO  11 -11.630  -1.624  -5.292
   68    HB2  PRO  11           2HB      PRO  11  -9.419  -2.462  -3.655
   69    HB3  PRO  11           1HB      PRO  11  -9.530  -2.502  -5.433
   70    HG2  PRO  11           2HG      PRO  11  -7.791  -0.896  -4.086
   71    HG3  PRO  11           1HG      PRO  11  -8.535  -0.432  -5.625
   72    HD2  PRO  11           2HD      PRO  11  -9.423   0.314  -2.842
   73    HD3  PRO  11           1HD      PRO  11  -9.165   1.360  -4.244
   74    H    CYS  12           H        CYS  12 -12.734  -3.188  -4.166
   75    HA   CYS  12           HA       CYS  12 -12.718  -3.073  -1.241
   76    HB2  CYS  12           2HB      CYS  12 -14.750  -1.942  -2.108
   77    HB3  CYS  12           1HB      CYS  12 -15.161  -3.422  -2.993
   78    HG   CYS  12           HG       CYS  12 -16.058  -2.536  -0.033
   79    H    LYS  13           H        LYS  13 -11.718  -4.897  -0.693
   80    HA   LYS  13           HA       LYS  13 -12.898  -7.433  -1.329
   81    HB2  LYS  13           2HB      LYS  13  -9.971  -6.872  -1.886
   82    HB3  LYS  13           1HB      LYS  13 -10.665  -8.471  -1.724
   83    HG2  LYS  13           2HG      LYS  13 -12.089  -7.879  -3.710
   84    HG3  LYS  13           1HG      LYS  13 -11.086  -6.449  -3.896
   85    HD2  LYS  13           2HD      LYS  13  -9.054  -7.792  -4.061
   86    HD3  LYS  13           1HD      LYS  13  -9.986  -9.259  -3.778
   87    HE2  LYS  13           2HE      LYS  13  -9.427  -9.083  -6.107
   88    HE3  LYS  13           1HE      LYS  13 -11.155  -8.878  -5.933
   89    HZ1  LYS  13           3HZ      LYS  13 -10.875  -6.476  -6.179
   90    HZ2  LYS  13           1HZ      LYS  13 -10.175  -7.304  -7.489
   91    HZ3  LYS  13           2HZ      LYS  13  -9.181  -6.696  -6.286
   92    H    ASP  14           H        ASP  14 -12.271  -8.992   0.191
   93    HA   ASP  14           HA       ASP  14 -11.212  -7.872   2.661
   94    HB2  ASP  14           2HB      ASP  14 -12.245 -10.665   2.036
   95    HB3  ASP  14           1HB      ASP  14 -11.607 -10.224   3.598
   96    H    LYS  15           H        LYS  15 -10.468 -10.634   0.448
   97    HA   LYS  15           HA       LYS  15  -7.876 -11.032   1.360
   98    HB2  LYS  15           2HB      LYS  15  -9.199 -11.753  -1.274
   99    HB3  LYS  15           1HB      LYS  15  -7.703 -12.437  -0.650
  100    HG2  LYS  15           2HG      LYS  15  -8.886 -13.523   1.133
  101    HG3  LYS  15           1HG      LYS  15 -10.367 -12.644   0.735
  102    HD2  LYS  15           2HD      LYS  15 -10.463 -13.808  -1.436
  103    HD3  LYS  15           1HD      LYS  15  -8.983 -14.679  -1.019
  104    HE2  LYS  15           2HE      LYS  15 -10.087 -15.782   0.814
  105    HE3  LYS  15           1HE      LYS  15 -11.538 -14.803   0.585
  106    HZ1  LYS  15           3HZ      LYS  15 -10.477 -16.804  -1.347
  107    HZ2  LYS  15           1HZ      LYS  15 -11.847 -15.836  -1.550
  108    HZ3  LYS  15           2HZ      LYS  15 -11.814 -16.988  -0.333
  109    H    VAL  16           H        VAL  16  -7.130  -8.810   1.372
  110    HA   VAL  16           HA       VAL  16  -5.435  -8.352  -0.803
  111    HB   VAL  16           HB       VAL  16  -7.332  -7.242  -1.871
  112   HG11  VAL  16          1HG1      VAL  16  -8.709  -6.762   0.004
  113   HG12  VAL  16          2HG1      VAL  16  -8.383  -5.223  -0.808
  114   HG13  VAL  16          3HG1      VAL  16  -7.483  -5.694   0.662
  115   HG21  VAL  16          3HG2      VAL  16  -5.067  -6.263  -2.127
  116   HG22  VAL  16          1HG2      VAL  16  -5.409  -5.190  -0.782
  117   HG23  VAL  16          2HG2      VAL  16  -6.342  -5.037  -2.283
  118    H    ASP  17           H        ASP  17  -3.881  -8.320   0.399
  119    HA   ASP  17           HA       ASP  17  -3.540  -7.070   2.888
  120    HB2  ASP  17           2HB      ASP  17  -1.466  -8.009   0.908
  121    HB3  ASP  17           1HB      ASP  17  -1.108  -7.564   2.583
  122    H    TRP  18           H        TRP  18  -2.691  -5.191   3.539
  123    HA   TRP  18           HA       TRP  18  -2.334  -2.991   1.583
  124    HB2  TRP  18           2HB      TRP  18  -3.119  -2.926   4.518
  125    HB3  TRP  18           1HB      TRP  18  -2.827  -1.500   3.535
  126    HD1  TRP  18           HD       TRP  18  -5.131  -4.621   3.077
  127    HE1  TRP  18           1HE      TRP  18  -7.443  -3.822   2.418
  128    HE3  TRP  18           3HE      TRP  18  -4.238   0.404   3.139
  129    HZ2  TRP  18           2HZ      TRP  18  -8.767  -1.325   1.997
  130    HZ3  TRP  18           3HZ      TRP  18  -6.080   1.935   2.597
  131    HH2  TRP  18           HH       TRP  18  -8.293   1.097   2.036
  132    H    VAL  19           H        VAL  19  -0.556  -1.229   2.277
  133    HA   VAL  19           HA       VAL  19   1.464  -2.531   3.844
  134    HB   VAL  19           HB       VAL  19   3.176  -1.570   2.266
  135   HG11  VAL  19          1HG1      VAL  19   2.609  -3.936   2.147
  136   HG12  VAL  19          2HG1      VAL  19   2.960  -3.279   0.559
  137   HG13  VAL  19          3HG1      VAL  19   1.292  -3.576   1.034
  138   HG21  VAL  19          3HG2      VAL  19   2.489  -0.959  -0.021
  139   HG22  VAL  19          1HG2      VAL  19   1.788   0.118   1.184
  140   HG23  VAL  19          2HG2      VAL  19   0.794  -1.140   0.450
  141    H    GLN  20           H        GLN  20   2.334  -1.265   5.291
  142    HA   GLN  20           HA       GLN  20   1.609   1.572   5.304
  143    HB2  GLN  20           2HB      GLN  20   1.071   0.363   7.358
  144    HB3  GLN  20           1HB      GLN  20   2.761  -0.147   7.516
  145    HG2  GLN  20           2HG      GLN  20   3.424   2.172   7.809
  146    HG3  GLN  20           1HG      GLN  20   1.746   2.686   7.630
  147   HE21  GLN  20          1HE2      GLN  20   3.614   3.085   9.889
  148   HE22  GLN  20          2HE2      GLN  20   2.835   2.432  11.257
  149    H    CYS  21           H        CYS  21   3.155   3.180   5.213
  150    HA   CYS  21           HA       CYS  21   5.772   2.171   4.468
  151    HB2  CYS  21           2HB      CYS  21   6.289   4.480   3.613
  152    HB3  CYS  21           1HB      CYS  21   4.753   3.902   3.031
  153    H    ASP  22           H        ASP  22   7.012   1.644   5.968
  154    HA   ASP  22           HA       ASP  22   6.936   2.809   8.624
  155    HB2  ASP  22           2HB      ASP  22   8.409   0.460   7.416
  156    HB3  ASP  22           1HB      ASP  22   8.779   1.054   9.036
  157    H    GLY  23           H        GLY  23   7.934   4.325   6.320
  158    HA2  GLY  23           2HA      GLY  23  10.739   4.748   6.990
  159    HA3  GLY  23           1HA      GLY  23   9.889   5.493   5.625
  160    H    GLY  24           H        GLY  24   7.609   5.986   7.687
  161    HA2  GLY  24           2HA      GLY  24   8.121   7.510   9.780
  162    HA3  GLY  24           1HA      GLY  24   8.724   8.561   8.538
  163    H    CYS  25           H        CYS  25   6.105   7.367   6.948
  164    HA   CYS  25           HA       CYS  25   4.511   9.674   7.850
  165    HB2  CYS  25           2HB      CYS  25   3.689   7.730   5.681
  166    HB3  CYS  25           1HB      CYS  25   3.119   9.369   5.941
  167    H    ASP  26           H        ASP  26   4.611   6.271   8.137
  168    HA   ASP  26           HA       ASP  26   3.298   4.647   9.064
  169    HB2  ASP  26           2HB      ASP  26   2.198   6.984  10.629
  170    HB3  ASP  26           1HB      ASP  26   1.863   5.310  11.007
  171    H    GLU  27           H        GLU  27   2.274   6.156   6.721
  172    HA   GLU  27           HA       GLU  27  -0.581   5.884   7.077
  173    HB2  GLU  27           2HB      GLU  27   0.993   6.840   4.697
  174    HB3  GLU  27           1HB      GLU  27  -0.749   6.884   4.849
  175    HG2  GLU  27           2HG      GLU  27  -0.544   8.329   6.812
  176    HG3  GLU  27           1HG      GLU  27   1.194   8.386   6.606
  177    H    TRP  28           H        TRP  28  -1.774   4.797   5.508
  178    HA   TRP  28           HA       TRP  28  -0.497   2.253   4.711
  179    HB2  TRP  28           2HB      TRP  28  -3.375   2.747   5.482
  180    HB3  TRP  28           1HB      TRP  28  -2.783   1.236   4.817
  181    HD1  TRP  28           HD       TRP  28  -2.266   3.459   7.957
  182    HE1  TRP  28           1HE      TRP  28  -1.563   1.915   9.889
  183    HE3  TRP  28           3HE      TRP  28  -1.885  -0.945   5.401
  184    HZ2  TRP  28           2HZ      TRP  28  -0.961  -0.797  10.285
  185    HZ3  TRP  28           3HZ      TRP  28  -1.241  -2.961   6.612
  186    HH2  TRP  28           HH       TRP  28  -0.785  -2.899   9.017
  187    H    PHE  29           H        PHE  29  -0.520   1.567   2.744
  188    HA   PHE  29           HA       PHE  29  -1.940   3.128   0.692
  189    HB2  PHE  29           2HB      PHE  29   0.755   1.717   0.447
  190    HB3  PHE  29           1HB      PHE  29  -0.021   2.714  -0.764
  191    HD1  PHE  29           1HD      PHE  29   1.161   3.004   2.772
  192    HD2  PHE  29           2HD      PHE  29   0.811   4.888  -1.031
  193    HE1  PHE  29           1HE      PHE  29   2.401   4.903   3.601
  194    HE2  PHE  29           2HE      PHE  29   2.072   6.799  -0.180
  195    HZ   PHE  29           HZ       PHE  29   2.866   6.787   2.193
  196    H    HIS  30           H        HIS  30  -2.425   1.878  -1.187
  197    HA   HIS  30           HA       HIS  30  -3.154  -0.959  -0.652
  198    HB2  HIS  30           2HB      HIS  30  -3.848   0.990  -2.773
  199    HB3  HIS  30           1HB      HIS  30  -4.183  -0.643  -3.169
  200    HD2  HIS  30           2HD      HIS  30  -6.328  -1.702  -1.365
  201    HE1  HIS  30           1HE      HIS  30  -7.950   2.185  -0.952
  202    HE2  HIS  30           2HE      HIS  30  -8.277  -0.264  -0.497
  203    H    GLN  31           H        GLN  31  -1.993  -2.617  -1.588
  204    HA   GLN  31           HA       GLN  31   0.389  -2.148  -2.934
  205    HB2  GLN  31           2HB      GLN  31  -1.283  -4.673  -3.010
  206    HB3  GLN  31           1HB      GLN  31   0.310  -4.535  -3.715
  207    HG2  GLN  31           2HG      GLN  31   1.250  -4.072  -1.495
  208    HG3  GLN  31           1HG      GLN  31  -0.349  -4.246  -0.783
  209   HE21  GLN  31          1HE2      GLN  31  -1.227  -6.268  -0.588
  210   HE22  GLN  31          2HE2      GLN  31  -0.343  -7.728  -0.847
  211    H    VAL  32           H        VAL  32  -2.789  -2.518  -4.313
  212    HA   VAL  32           HA       VAL  32  -1.794  -2.557  -6.994
  213    HB   VAL  32           HB       VAL  32  -3.986  -3.591  -6.515
  214   HG11  VAL  32          1HG1      VAL  32  -5.904  -2.202  -5.929
  215   HG12  VAL  32          2HG1      VAL  32  -4.765  -0.815  -5.905
  216   HG13  VAL  32          3HG1      VAL  32  -4.590  -2.093  -4.729
  217   HG21  VAL  32          3HG2      VAL  32  -3.591  -2.693  -8.772
  218   HG22  VAL  32          1HG2      VAL  32  -4.226  -1.147  -8.216
  219   HG23  VAL  32          2HG2      VAL  32  -5.309  -2.527  -8.314
  220    H    CYS  33           H        CYS  33  -3.021  -0.184  -4.948
  221    HA   CYS  33           HA       CYS  33  -3.111   1.919  -6.995
  222    HB2  CYS  33           2HB      CYS  33  -4.145   3.338  -5.544
  223    HB3  CYS  33           1HB      CYS  33  -4.657   1.796  -4.966
  224    H    VAL  34           H        VAL  34  -0.678   1.019  -4.595
  225    HA   VAL  34           HA       VAL  34   0.810   3.305  -5.550
  226    HB   VAL  34           HB       VAL  34   0.426   2.545  -2.967
  227   HG11  VAL  34          1HG1      VAL  34   2.757   1.025  -3.660
  228   HG12  VAL  34          2HG1      VAL  34   1.196   0.411  -3.115
  229   HG13  VAL  34          3HG1      VAL  34   2.203   1.426  -2.036
  230   HG21  VAL  34          3HG2      VAL  34   2.949   3.652  -4.102
  231   HG22  VAL  34          1HG2      VAL  34   2.351   3.801  -2.427
  232   HG23  VAL  34          2HG2      VAL  34   1.419   4.505  -3.759
  233    H    GLY  35           H        GLY  35   0.302   0.390  -6.578
  234    HA2  GLY  35           2HA      GLY  35   1.451  -1.344  -7.647
  235    HA3  GLY  35           1HA      GLY  35   2.630  -0.104  -8.002
  236    H    VAL  36           H        VAL  36   1.723  -2.449  -5.403
  237    HA   VAL  36           HA       VAL  36   4.552  -2.969  -4.897
  238    HB   VAL  36           HB       VAL  36   2.170  -2.995  -3.003
  239   HG11  VAL  36          1HG1      VAL  36   3.422  -4.916  -2.471
  240   HG12  VAL  36          2HG1      VAL  36   3.735  -3.718  -1.229
  241   HG13  VAL  36          3HG1      VAL  36   4.961  -4.071  -2.481
  242   HG21  VAL  36          3HG2      VAL  36   4.708  -1.390  -2.994
  243   HG22  VAL  36          1HG2      VAL  36   3.525  -1.427  -1.681
  244   HG23  VAL  36          2HG2      VAL  36   3.040  -0.853  -3.268
  245    H    SER  37           H        SER  37   5.065  -5.430  -4.658
  246    HA   SER  37           HA       SER  37   2.991  -7.006  -5.805
  247    HB2  SER  37           2HB      SER  37   4.946  -8.514  -6.125
  248    HB3  SER  37           1HB      SER  37   5.159  -6.983  -6.963
  249    HG   SER  37           HG       SER  37   7.037  -7.501  -5.809
  250    HA   PRO  38           HA       PRO  38   1.962  -8.847  -1.962
  251    HB2  PRO  38           2HB      PRO  38   2.383 -11.557  -2.552
  252    HB3  PRO  38           1HB      PRO  38   0.894 -10.641  -2.873
  253    HG2  PRO  38           2HG      PRO  38   3.206 -11.182  -4.706
  254    HG3  PRO  38           1HG      PRO  38   1.463 -11.304  -5.064
  255    HD2  PRO  38           2HD      PRO  38   2.818  -9.239  -5.892
  256    HD3  PRO  38           1HD      PRO  38   1.265  -8.921  -5.119
  257    H    GLU  39           H        GLU  39   4.915 -10.330  -3.492
  258    HA   GLU  39           HA       GLU  39   5.979 -11.327  -1.221
  259    HB2  GLU  39           2HB      GLU  39   7.345 -10.275  -3.662
  260    HB3  GLU  39           1HB      GLU  39   8.024 -11.315  -2.419
  261    HG2  GLU  39           2HG      GLU  39   6.356 -13.022  -2.991
  262    HG3  GLU  39           1HG      GLU  39   5.805 -12.012  -4.335
  263    H    MET  40           H        MET  40   6.099  -7.998  -2.459
  264    HA   MET  40           HA       MET  40   8.372  -7.305  -0.883
  265    HB2  MET  40           2HB      MET  40   7.490  -5.963  -3.006
  266    HB3  MET  40           1HB      MET  40   6.342  -5.364  -1.866
  267    HG2  MET  40           2HG      MET  40   7.728  -4.246  -0.596
  268    HG3  MET  40           1HG      MET  40   9.188  -5.130  -1.066
  269    HE1  MET  40           3HE      MET  40   6.457  -3.239  -3.353
  270    HE2  MET  40           1HE      MET  40   7.205  -1.653  -3.414
  271    HE3  MET  40           2HE      MET  40   6.644  -2.273  -1.863
  272    H    ALA  41           H        ALA  41   4.899  -6.946  -0.472
  273    HA   ALA  41           HA       ALA  41   4.842  -5.471   1.893
  274    HB1  ALA  41           1HB      ALA  41   2.855  -5.924   0.498
  275    HB2  ALA  41           2HB      ALA  41   2.572  -6.403   2.161
  276    HB3  ALA  41           3HB      ALA  41   2.919  -7.616   0.947
  277    H    GLU  42           H        GLU  42   4.864  -8.920   1.462
  278    HA   GLU  42           HA       GLU  42   4.814  -9.529   4.290
  279    HB2  GLU  42           2HB      GLU  42   5.399 -11.384   1.990
  280    HB3  GLU  42           1HB      GLU  42   5.050 -11.854   3.642
  281    HG2  GLU  42           2HG      GLU  42   2.814 -10.912   3.462
  282    HG3  GLU  42           1HG      GLU  42   3.153 -10.399   1.805
  283    H    ASN  43           H        ASN  43   7.422  -8.714   2.230
  284    HA   ASN  43           HA       ASN  43   9.228 -10.164   4.028
  285    HB2  ASN  43           2HB      ASN  43   9.479  -9.810   1.075
  286    HB3  ASN  43           1HB      ASN  43  10.794 -10.329   2.112
  287   HD21  ASN  43          1HD2      ASN  43   7.780 -11.119   0.735
  288   HD22  ASN  43          2HD2      ASN  43   7.861 -12.814   1.111
  289    H    GLU  44           H        GLU  44   8.997  -7.096   2.206
  290    HA   GLU  44           HA       GLU  44  11.432  -6.370   3.634
  291    HB2  GLU  44           2HB      GLU  44  11.037  -5.880   0.672
  292    HB3  GLU  44           1HB      GLU  44  12.377  -5.272   1.631
  293    HG2  GLU  44           2HG      GLU  44  13.068  -7.543   2.167
  294    HG3  GLU  44           1HG      GLU  44  11.723  -8.201   1.246
  295    H    ASP  45           H        ASP  45  11.972  -3.909   3.277
  296    HA   ASP  45           HA       ASP  45   9.986  -2.561   4.750
  297    HB2  ASP  45           2HB      ASP  45  12.342  -1.300   3.352
  298    HB3  ASP  45           1HB      ASP  45  11.487  -0.692   4.746
  299    H    TYR  46           H        TYR  46   8.165  -1.849   3.807
  300    HA   TYR  46           HA       TYR  46   8.271  -0.703   1.184
  301    HB2  TYR  46           2HB      TYR  46   6.200  -1.823   1.579
  302    HB3  TYR  46           1HB      TYR  46   5.900  -0.935   3.080
  303    HD1  TYR  46           2HD      TYR  46   6.209  -0.570  -0.620
  304    HD2  TYR  46           1HD      TYR  46   4.683   1.062   2.991
  305    HE1  TYR  46           2HE      TYR  46   4.884   1.158  -1.910
  306    HE2  TYR  46           1HE      TYR  46   3.446   2.739   1.708
  307    HH   TYR  46           HH       TYR  46   3.474   3.798  -0.352
  308    H    ILE  47           H        ILE  47   9.211   0.965   0.938
  309    HA   ILE  47           HA       ILE  47   8.907   3.349   2.670
  310    HB   ILE  47           HB       ILE  47  10.761   2.945   0.269
  311   HG12  ILE  47          2HG1      ILE  47  11.397   1.419   2.070
  312   HG13  ILE  47          1HG1      ILE  47  12.599   2.691   1.913
  313   HG21  ILE  47          1HG2      ILE  47  10.747   5.090   2.383
  314   HG22  ILE  47          2HG2      ILE  47  10.299   5.307   0.683
  315   HG23  ILE  47          3HG2      ILE  47  11.964   4.931   1.115
  316   HD11  ILE  47          3HD1      ILE  47  10.445   2.505   4.018
  317   HD12  ILE  47          1HD1      ILE  47  11.620   3.826   3.884
  318   HD13  ILE  47          2HD1      ILE  47  12.172   2.194   4.232
  319    H    CYS  48           H        CYS  48   7.896   5.386   1.685
  320    HA   CYS  48           HA       CYS  48   6.409   4.673  -0.709
  321    HB2  CYS  48           2HB      CYS  48   4.756   6.209  -0.019
  322    HB3  CYS  48           1HB      CYS  48   5.200   5.356   1.442
  323    H    ILE  49           H        ILE  49   5.859   6.808  -1.858
  324    HA   ILE  49           HA       ILE  49   8.078   7.911  -3.081
  325    HB   ILE  49           HB       ILE  49   5.943   7.897  -4.158
  326   HG12  ILE  49          2HG1      ILE  49   6.752  10.733  -3.647
  327   HG13  ILE  49          1HG1      ILE  49   7.576   9.620  -4.756
  328   HG21  ILE  49          1HG2      ILE  49   4.978   9.809  -2.047
  329   HG22  ILE  49          2HG2      ILE  49   4.447   8.153  -2.315
  330   HG23  ILE  49          3HG2      ILE  49   4.120   9.397  -3.535
  331   HD11  ILE  49          3HD1      ILE  49   5.610   9.429  -6.075
  332   HD12  ILE  49          1HD1      ILE  49   6.079  11.124  -5.966
  333   HD13  ILE  49          2HD1      ILE  49   4.701  10.493  -5.023
  334    H    ASN  50           H        ASN  50   6.195   9.184  -0.361
  335    HA   ASN  50           HA       ASN  50   7.642  11.653  -0.197
  336    HB2  ASN  50           2HB      ASN  50   5.741  10.338   1.755
  337    HB3  ASN  50           1HB      ASN  50   6.430  11.955   1.947
  338   HD21  ASN  50          1HD2      ASN  50   5.667  13.620   0.735
  339   HD22  ASN  50          2HD2      ASN  50   4.230  13.509  -0.210
  340    H    CYS  51           H        CYS  51   7.766   8.580   1.484
  341    HA   CYS  51           HA       CYS  51   9.626   9.319   3.484
  342    HB2  CYS  51           2HB      CYS  51   8.913   6.616   2.347
  343    HB3  CYS  51           1HB      CYS  51  10.193   6.797   3.527
  344    H    ALA  52           H        ALA  52  10.054   8.515   0.186
  345    HA   ALA  52           HA       ALA  52  12.867   7.819   0.484
  346    HB1  ALA  52           3HB      ALA  52  11.270   8.165  -2.044
  347    HB2  ALA  52           1HB      ALA  52  11.510   6.636  -1.180
  348    HB3  ALA  52           2HB      ALA  52  12.887   7.452  -1.899
  Start of MODEL   16
    1    HA   SER   1           HA       SER   1 -13.182   5.609   3.263
    2    HB2  SER   1           2HB      SER   1 -12.776   8.602   2.879
    3    HB3  SER   1           1HB      SER   1 -14.046   7.632   2.118
    4    HG   SER   1           HG       SER   1 -13.857   7.491   4.883
    5    H    VAL   2           H        VAL   2 -10.248   7.466   2.759
    6    HA   VAL   2           HA       VAL   2  -9.703   6.019   0.285
    7    HB   VAL   2           HB       VAL   2  -9.140   8.991   0.767
    8   HG11  VAL   2          1HG1      VAL   2  -7.386   7.913  -0.527
    9   HG12  VAL   2          2HG1      VAL   2  -8.348   9.008  -1.549
   10   HG13  VAL   2          3HG1      VAL   2  -8.594   7.268  -1.650
   11   HG21  VAL   2          3HG2      VAL   2 -11.031   7.701  -1.192
   12   HG22  VAL   2          1HG2      VAL   2 -10.685   9.429  -1.060
   13   HG23  VAL   2          2HG2      VAL   2 -11.501   8.572   0.264
   14    H    CYS   3           H        CYS   3  -7.485   5.307   0.187
   15    HA   CYS   3           HA       CYS   3  -6.114   5.486   2.750
   16    HB2  CYS   3           2HB      CYS   3  -4.959   3.587   2.080
   17    HB3  CYS   3           1HB      CYS   3  -6.387   3.408   1.052
   18    H    ALA   4           H        ALA   4  -3.504   5.501   2.147
   19    HA   ALA   4           HA       ALA   4  -3.088   8.075   0.849
   20    HB1  ALA   4           1HB      ALA   4  -1.243   6.339   2.501
   21    HB2  ALA   4           2HB      ALA   4  -2.028   7.817   3.055
   22    HB3  ALA   4           3HB      ALA   4  -0.801   7.877   1.801
   23    H    ALA   5           H        ALA   5  -2.684   7.919  -1.272
   24    HA   ALA   5           HA       ALA   5  -0.364   6.603  -2.221
   25    HB1  ALA   5           1HB      ALA   5  -1.879   4.613  -2.331
   26    HB2  ALA   5           2HB      ALA   5  -1.432   5.130  -3.933
   27    HB3  ALA   5           3HB      ALA   5  -3.014   5.534  -3.304
   28    H    GLN   6           H        GLN   6   0.374   7.780  -4.010
   29    HA   GLN   6           HA       GLN   6  -0.562  10.121  -4.819
   30    HB2  GLN   6           2HB      GLN   6   1.571   8.968  -5.484
   31    HB3  GLN   6           1HB      GLN   6   0.654   7.991  -6.607
   32    HG2  GLN   6           2HG      GLN   6   0.037  10.232  -7.726
   33    HG3  GLN   6           1HG      GLN   6   1.278  10.908  -6.700
   34   HE21  GLN   6          1HE2      GLN   6   3.436  10.398  -7.066
   35   HE22  GLN   6          2HE2      GLN   6   3.917   9.632  -8.543
   36    H    ASN   7           H        ASN   7  -1.325   7.074  -6.135
   37    HA   ASN   7           HA       ASN   7  -3.842   8.095  -7.367
   38    HB2  ASN   7           2HB      ASN   7  -2.126   5.868  -8.506
   39    HB3  ASN   7           1HB      ASN   7  -3.653   6.421  -9.181
   40   HD21  ASN   7          1HD2      ASN   7  -1.031   6.301 -10.392
   41   HD22  ASN   7          2HD2      ASN   7  -0.608   7.915 -10.843
   42    H    CYS   8           H        CYS   8  -5.438   7.316  -5.919
   43    HA   CYS   8           HA       CYS   8  -5.051   4.531  -5.331
   44    HB2  CYS   8           2HB      CYS   8  -5.138   5.807  -3.261
   45    HB3  CYS   8           1HB      CYS   8  -6.736   6.418  -3.687
   46    H    GLN   9           H        GLN   9  -6.213   3.119  -6.027
   47    HA   GLN   9           HA       GLN   9  -8.455   3.582  -7.809
   48    HB2  GLN   9           2HB      GLN   9  -7.267   1.001  -6.795
   49    HB3  GLN   9           1HB      GLN   9  -8.350   1.119  -8.154
   50    HG2  GLN   9           2HG      GLN   9  -6.635   2.445  -9.370
   51    HG3  GLN   9           1HG      GLN   9  -5.586   2.279  -7.973
   52   HE21  GLN   9          1HE2      GLN   9  -4.024   1.235  -9.162
   53   HE22  GLN   9          2HE2      GLN   9  -4.223  -0.388  -9.711
   54    H    ARG  10           H        ARG  10  -8.183   3.346  -4.540
   55    HA   ARG  10           HA       ARG  10  -9.436   2.802  -2.725
   56    HB2  ARG  10           2HB      ARG  10 -11.650   3.508  -4.661
   57    HB3  ARG  10           1HB      ARG  10 -11.878   3.316  -2.928
   58    HG2  ARG  10           2HG      ARG  10 -10.395   5.151  -2.483
   59    HG3  ARG  10           1HG      ARG  10 -10.050   5.349  -4.198
   60    HD2  ARG  10           2HD      ARG  10 -11.722   6.970  -3.443
   61    HD3  ARG  10           1HD      ARG  10 -12.410   5.856  -4.620
   62    HE   ARG  10           HE       ARG  10 -12.748   5.178  -1.824
   63   HH11  ARG  10          1HH1      ARG  10 -14.161   6.592  -4.696
   64   HH12  ARG  10          2HH1      ARG  10 -15.782   6.497  -4.227
   65   HH21  ARG  10          1HH2      ARG  10 -15.021   4.999  -1.057
   66   HH22  ARG  10          2HH2      ARG  10 -16.294   5.559  -2.030
   67    HA   PRO  11           HA       PRO  11 -10.941  -1.383  -4.579
   68    HB2  PRO  11           2HB      PRO  11  -8.433  -2.646  -3.818
   69    HB3  PRO  11           1HB      PRO  11  -9.217  -2.625  -5.413
   70    HG2  PRO  11           2HG      PRO  11  -6.912  -1.305  -4.917
   71    HG3  PRO  11           1HG      PRO  11  -8.154  -0.679  -6.024
   72    HD2  PRO  11           2HD      PRO  11  -7.656   0.043  -3.149
   73    HD3  PRO  11           1HD      PRO  11  -7.904   1.122  -4.534
   74    H    CYS  12           H        CYS  12 -12.081  -2.622  -3.214
   75    HA   CYS  12           HA       CYS  12 -11.085  -3.081  -0.503
   76    HB2  CYS  12           2HB      CYS  12 -12.880  -1.378  -0.500
   77    HB3  CYS  12           1HB      CYS  12 -13.899  -2.476  -1.410
   78    HG   CYS  12           HG       CYS  12 -14.823  -3.822   0.550
   79    H    LYS  13           H        LYS  13 -10.953  -5.241  -0.062
   80    HA   LYS  13           HA       LYS  13 -12.855  -7.117  -1.186
   81    HB2  LYS  13           2HB      LYS  13  -9.858  -7.418  -1.522
   82    HB3  LYS  13           1HB      LYS  13 -11.028  -8.681  -1.843
   83    HG2  LYS  13           2HG      LYS  13 -11.964  -7.247  -3.635
   84    HG3  LYS  13           1HG      LYS  13 -10.632  -6.110  -3.365
   85    HD2  LYS  13           2HD      LYS  13  -9.007  -7.849  -3.865
   86    HD3  LYS  13           1HD      LYS  13 -10.279  -9.040  -4.069
   87    HE2  LYS  13           2HE      LYS  13  -9.560  -8.340  -6.237
   88    HE3  LYS  13           1HE      LYS  13 -11.164  -7.694  -5.955
   89    HZ1  LYS  13           3HZ      LYS  13 -10.142  -5.534  -5.440
   90    HZ2  LYS  13           1HZ      LYS  13  -9.738  -6.063  -6.983
   91    HZ3  LYS  13           2HZ      LYS  13  -8.599  -6.190  -5.801
   92    H    ASP  14           H        ASP  14 -12.668  -9.191  -0.059
   93    HA   ASP  14           HA       ASP  14 -11.996  -8.952   2.725
   94    HB2  ASP  14           2HB      ASP  14 -12.687 -11.425   1.113
   95    HB3  ASP  14           1HB      ASP  14 -12.577 -11.357   2.862
   96    H    LYS  15           H        LYS  15 -10.297  -9.627  -0.062
   97    HA   LYS  15           HA       LYS  15  -8.116 -10.863   1.416
   98    HB2  LYS  15           2HB      LYS  15  -8.995 -11.703  -1.372
   99    HB3  LYS  15           1HB      LYS  15  -7.619 -12.336  -0.492
  100    HG2  LYS  15           2HG      LYS  15  -9.237 -13.287   1.193
  101    HG3  LYS  15           1HG      LYS  15 -10.544 -12.697   0.172
  102    HD2  LYS  15           2HD      LYS  15  -9.722 -14.064  -1.688
  103    HD3  LYS  15           1HD      LYS  15  -8.427 -14.671  -0.675
  104    HE2  LYS  15           2HE      LYS  15 -10.186 -16.314  -0.767
  105    HE3  LYS  15           1HE      LYS  15 -10.136 -15.634   0.861
  106    HZ1  LYS  15           3HZ      LYS  15 -12.065 -14.190   0.166
  107    HZ2  LYS  15           1HZ      LYS  15 -12.403 -15.851   0.086
  108    HZ3  LYS  15           2HZ      LYS  15 -12.051 -15.009  -1.300
  109    H    VAL  16           H        VAL  16  -7.045  -8.831   1.468
  110    HA   VAL  16           HA       VAL  16  -5.420  -8.248  -0.704
  111    HB   VAL  16           HB       VAL  16  -7.354  -7.122  -1.741
  112   HG11  VAL  16          1HG1      VAL  16  -8.663  -6.685   0.235
  113   HG12  VAL  16          2HG1      VAL  16  -8.392  -5.177  -0.662
  114   HG13  VAL  16          3HG1      VAL  16  -7.416  -5.570   0.787
  115   HG21  VAL  16          3HG2      VAL  16  -5.103  -6.132  -2.012
  116   HG22  VAL  16          1HG2      VAL  16  -5.416  -5.107  -0.624
  117   HG23  VAL  16          2HG2      VAL  16  -6.369  -4.901  -2.083
  118    H    ASP  17           H        ASP  17  -3.849  -8.212   0.500
  119    HA   ASP  17           HA       ASP  17  -3.470  -7.002   3.005
  120    HB2  ASP  17           2HB      ASP  17  -1.291  -7.526   1.008
  121    HB3  ASP  17           1HB      ASP  17  -1.161  -7.514   2.760
  122    H    TRP  18           H        TRP  18  -2.688  -5.080   3.646
  123    HA   TRP  18           HA       TRP  18  -2.320  -2.906   1.681
  124    HB2  TRP  18           2HB      TRP  18  -3.052  -2.848   4.625
  125    HB3  TRP  18           1HB      TRP  18  -2.772  -1.432   3.635
  126    HD1  TRP  18           HD       TRP  18  -5.066  -4.529   3.048
  127    HE1  TRP  18           1HE      TRP  18  -7.411  -3.695   2.561
  128    HE3  TRP  18           3HE      TRP  18  -4.198   0.457   3.521
  129    HZ2  TRP  18           2HZ      TRP  18  -8.753  -1.207   2.408
  130    HZ3  TRP  18           3HZ      TRP  18  -6.072   2.023   3.195
  131    HH2  TRP  18           HH       TRP  18  -8.306   1.206   2.650
  132    H    VAL  19           H        VAL  19  -0.551  -1.255   2.303
  133    HA   VAL  19           HA       VAL  19   1.454  -2.519   3.949
  134    HB   VAL  19           HB       VAL  19   3.227  -1.658   2.421
  135   HG11  VAL  19          1HG1      VAL  19   1.309  -3.577   1.116
  136   HG12  VAL  19          2HG1      VAL  19   2.624  -3.983   2.228
  137   HG13  VAL  19          3HG1      VAL  19   2.984  -3.319   0.632
  138   HG21  VAL  19          3HG2      VAL  19   2.687  -0.991   0.142
  139   HG22  VAL  19          1HG2      VAL  19   1.974   0.102   1.318
  140   HG23  VAL  19          2HG2      VAL  19   0.964  -1.103   0.490
  141    H    GLN  20           H        GLN  20   2.374  -1.193   5.348
  142    HA   GLN  20           HA       GLN  20   1.538   1.607   5.367
  143    HB2  GLN  20           2HB      GLN  20   1.059   0.328   7.397
  144    HB3  GLN  20           1HB      GLN  20   2.756  -0.132   7.549
  145    HG2  GLN  20           2HG      GLN  20   3.359   2.176   7.924
  146    HG3  GLN  20           1HG      GLN  20   1.674   2.697   7.748
  147   HE21  GLN  20          1HE2      GLN  20   3.494   3.076   9.977
  148   HE22  GLN  20          2HE2      GLN  20   2.804   2.314  11.318
  149    H    CYS  21           H        CYS  21   3.074   3.227   5.223
  150    HA   CYS  21           HA       CYS  21   5.734   2.235   4.634
  151    HB2  CYS  21           2HB      CYS  21   6.240   4.482   3.678
  152    HB3  CYS  21           1HB      CYS  21   4.748   3.861   3.039
  153    H    ASP  22           H        ASP  22   6.854   1.824   6.293
  154    HA   ASP  22           HA       ASP  22   6.517   3.332   8.750
  155    HB2  ASP  22           2HB      ASP  22   7.963   0.754   8.131
  156    HB3  ASP  22           1HB      ASP  22   8.163   1.554   9.679
  157    H    GLY  23           H        GLY  23   7.800   4.402   6.399
  158    HA2  GLY  23           2HA      GLY  23  10.595   4.770   7.218
  159    HA3  GLY  23           1HA      GLY  23   9.916   5.253   5.672
  160    H    GLY  24           H        GLY  24   7.615   6.235   7.856
  161    HA2  GLY  24           2HA      GLY  24   8.401   8.277   9.330
  162    HA3  GLY  24           1HA      GLY  24   8.721   8.931   7.742
  163    H    CYS  25           H        CYS  25   6.107   7.550   6.721
  164    HA   CYS  25           HA       CYS  25   4.420   9.795   7.629
  165    HB2  CYS  25           2HB      CYS  25   3.601   7.785   5.544
  166    HB3  CYS  25           1HB      CYS  25   3.019   9.427   5.760
  167    H    ASP  26           H        ASP  26   4.673   6.344   7.760
  168    HA   ASP  26           HA       ASP  26   3.474   4.649   8.665
  169    HB2  ASP  26           2HB      ASP  26   2.558   6.859  10.534
  170    HB3  ASP  26           1HB      ASP  26   2.188   5.161  10.783
  171    H    GLU  27           H        GLU  27   2.242   6.312   6.554
  172    HA   GLU  27           HA       GLU  27  -0.570   5.954   7.052
  173    HB2  GLU  27           2HB      GLU  27   0.916   7.097   4.675
  174    HB3  GLU  27           1HB      GLU  27  -0.842   6.950   4.738
  175    HG2  GLU  27           2HG      GLU  27  -0.862   8.370   6.740
  176    HG3  GLU  27           1HG      GLU  27   0.884   8.573   6.627
  177    H    TRP  28           H        TRP  28  -1.888   4.858   5.460
  178    HA   TRP  28           HA       TRP  28  -0.666   2.263   4.763
  179    HB2  TRP  28           2HB      TRP  28  -3.539   2.845   5.495
  180    HB3  TRP  28           1HB      TRP  28  -2.973   1.306   4.875
  181    HD1  TRP  28           HD       TRP  28  -2.535   3.551   7.965
  182    HE1  TRP  28           1HE      TRP  28  -1.751   2.036   9.945
  183    HE3  TRP  28           3HE      TRP  28  -1.898  -0.861   5.449
  184    HZ2  TRP  28           2HZ      TRP  28  -1.019  -0.626  10.348
  185    HZ3  TRP  28           3HZ      TRP  28  -1.172  -2.815   6.678
  186    HH2  TRP  28           HH       TRP  28  -0.721  -2.703   9.113
  187    H    PHE  29           H        PHE  29  -0.557   1.563   2.828
  188    HA   PHE  29           HA       PHE  29  -1.981   2.981   0.657
  189    HB2  PHE  29           2HB      PHE  29   0.699   1.535   0.528
  190    HB3  PHE  29           1HB      PHE  29  -0.053   2.486  -0.731
  191    HD1  PHE  29           1HD      PHE  29   1.189   2.832   2.731
  192    HD2  PHE  29           2HD      PHE  29   0.684   4.705  -1.037
  193    HE1  PHE  29           1HE      PHE  29   2.417   4.767   3.539
  194    HE2  PHE  29           2HE      PHE  29   1.917   6.661  -0.232
  195    HZ   PHE  29           HZ       PHE  29   2.803   6.666   2.109
  196    H    HIS  30           H        HIS  30  -2.584   1.638  -1.090
  197    HA   HIS  30           HA       HIS  30  -3.079  -1.195  -0.448
  198    HB2  HIS  30           2HB      HIS  30  -4.016   0.624  -2.599
  199    HB3  HIS  30           1HB      HIS  30  -4.302  -1.040  -2.874
  200    HD2  HIS  30           2HD      HIS  30  -6.150  -2.062  -0.738
  201    HE1  HIS  30           1HE      HIS  30  -7.980   1.748  -0.518
  202    HE2  HIS  30           2HE      HIS  30  -8.307  -0.756  -0.374
  203    H    GLN  31           H        GLN  31  -2.054  -2.800  -1.533
  204    HA   GLN  31           HA       GLN  31   0.379  -2.282  -2.718
  205    HB2  GLN  31           2HB      GLN  31  -1.306  -4.765  -2.895
  206    HB3  GLN  31           1HB      GLN  31   0.296  -4.667  -3.611
  207    HG2  GLN  31           2HG      GLN  31   1.252  -4.201  -1.440
  208    HG3  GLN  31           1HG      GLN  31  -0.345  -4.268  -0.704
  209   HE21  GLN  31          1HE2      GLN  31  -1.323  -6.250  -0.440
  210   HE22  GLN  31          2HE2      GLN  31  -0.501  -7.743  -0.618
  211    H    VAL  32           H        VAL  32  -2.676  -2.943  -4.373
  212    HA   VAL  32           HA       VAL  32  -1.430  -2.825  -6.917
  213    HB   VAL  32           HB       VAL  32  -3.531  -4.052  -6.645
  214   HG11  VAL  32          1HG1      VAL  32  -5.655  -2.796  -6.328
  215   HG12  VAL  32          2HG1      VAL  32  -4.629  -1.339  -6.150
  216   HG13  VAL  32          3HG1      VAL  32  -4.514  -2.625  -4.960
  217   HG21  VAL  32          3HG2      VAL  32  -4.766  -3.141  -8.582
  218   HG22  VAL  32          1HG2      VAL  32  -2.996  -3.155  -8.854
  219   HG23  VAL  32          2HG2      VAL  32  -3.805  -1.659  -8.361
  220    H    CYS  33           H        CYS  33  -3.024  -0.579  -4.952
  221    HA   CYS  33           HA       CYS  33  -3.233   1.523  -6.961
  222    HB2  CYS  33           2HB      CYS  33  -4.391   2.859  -5.428
  223    HB3  CYS  33           1HB      CYS  33  -4.785   1.279  -4.895
  224    H    VAL  34           H        VAL  34  -0.747   0.828  -4.513
  225    HA   VAL  34           HA       VAL  34   0.577   3.218  -5.466
  226    HB   VAL  34           HB       VAL  34   0.241   2.409  -2.894
  227   HG11  VAL  34          1HG1      VAL  34   2.683   1.002  -3.570
  228   HG12  VAL  34          2HG1      VAL  34   1.144   0.281  -3.137
  229   HG13  VAL  34          3HG1      VAL  34   2.019   1.281  -1.964
  230   HG21  VAL  34          3HG2      VAL  34   2.741   3.585  -3.981
  231   HG22  VAL  34          1HG2      VAL  34   2.097   3.765  -2.330
  232   HG23  VAL  34          2HG2      VAL  34   1.186   4.422  -3.694
  233    H    GLY  35           H        GLY  35   0.294   0.339  -6.586
  234    HA2  GLY  35           2HA      GLY  35   1.594  -1.243  -7.744
  235    HA3  GLY  35           1HA      GLY  35   2.753   0.055  -7.937
  236    H    VAL  36           H        VAL  36   1.729  -2.472  -5.508
  237    HA   VAL  36           HA       VAL  36   4.518  -3.049  -4.976
  238    HB   VAL  36           HB       VAL  36   2.093  -3.086  -3.127
  239   HG11  VAL  36          1HG1      VAL  36   3.590  -3.899  -1.347
  240   HG12  VAL  36          2HG1      VAL  36   4.873  -4.148  -2.556
  241   HG13  VAL  36          3HG1      VAL  36   3.375  -5.037  -2.661
  242   HG21  VAL  36          3HG2      VAL  36   4.626  -1.462  -3.038
  243   HG22  VAL  36          1HG2      VAL  36   3.454  -1.576  -1.718
  244   HG23  VAL  36          2HG2      VAL  36   2.943  -0.906  -3.242
  245    H    SER  37           H        SER  37   4.864  -5.467  -4.898
  246    HA   SER  37           HA       SER  37   2.636  -6.904  -5.975
  247    HB2  SER  37           2HB      SER  37   4.436  -8.562  -6.438
  248    HB3  SER  37           1HB      SER  37   4.718  -7.014  -7.227
  249    HG   SER  37           HG       SER  37   6.625  -7.741  -6.216
  250    HA   PRO  38           HA       PRO  38   1.727  -8.822  -2.046
  251    HB2  PRO  38           2HB      PRO  38   1.748 -11.518  -2.829
  252    HB3  PRO  38           1HB      PRO  38   0.355 -10.430  -2.966
  253    HG2  PRO  38           2HG      PRO  38   2.415 -11.155  -4.990
  254    HG3  PRO  38           1HG      PRO  38   0.647 -11.003  -5.208
  255    HD2  PRO  38           2HD      PRO  38   2.286  -9.109  -6.063
  256    HD3  PRO  38           1HD      PRO  38   0.817  -8.631  -5.195
  257    H    GLU  39           H        GLU  39   4.463  -9.836  -3.839
  258    HA   GLU  39           HA       GLU  39   5.638 -11.559  -1.906
  259    HB2  GLU  39           2HB      GLU  39   5.970 -11.686  -4.370
  260    HB3  GLU  39           1HB      GLU  39   6.872 -10.183  -4.278
  261    HG2  GLU  39           2HG      GLU  39   8.501 -11.263  -2.850
  262    HG3  GLU  39           1HG      GLU  39   7.626 -12.787  -2.967
  263    H    MET  40           H        MET  40   5.793  -8.155  -2.735
  264    HA   MET  40           HA       MET  40   8.214  -7.614  -1.302
  265    HB2  MET  40           2HB      MET  40   7.283  -6.134  -3.309
  266    HB3  MET  40           1HB      MET  40   6.179  -5.615  -2.102
  267    HG2  MET  40           2HG      MET  40   7.573  -4.460  -0.860
  268    HG3  MET  40           1HG      MET  40   9.024  -5.348  -1.317
  269    HE1  MET  40           3HE      MET  40   6.471  -2.527  -2.289
  270    HE2  MET  40           1HE      MET  40   6.355  -3.552  -3.721
  271    HE3  MET  40           2HE      MET  40   7.113  -1.964  -3.830
  272    H    ALA  41           H        ALA  41   4.793  -7.281  -0.685
  273    HA   ALA  41           HA       ALA  41   4.810  -5.676   1.565
  274    HB1  ALA  41           1HB      ALA  41   2.783  -6.287   0.323
  275    HB2  ALA  41           2HB      ALA  41   2.568  -6.596   2.050
  276    HB3  ALA  41           3HB      ALA  41   2.902  -7.928   0.941
  277    H    GLU  42           H        GLU  42   5.012  -9.131   1.492
  278    HA   GLU  42           HA       GLU  42   5.533  -9.137   4.361
  279    HB2  GLU  42           2HB      GLU  42   5.521 -11.484   2.493
  280    HB3  GLU  42           1HB      GLU  42   5.933 -11.642   4.189
  281    HG2  GLU  42           2HG      GLU  42   3.698 -10.715   4.764
  282    HG3  GLU  42           1HG      GLU  42   3.274 -10.762   3.044
  283    H    ASN  43           H        ASN  43   7.660  -9.893   1.480
  284    HA   ASN  43           HA       ASN  43   9.779 -10.612   3.151
  285    HB2  ASN  43           2HB      ASN  43   9.636 -10.059   0.203
  286    HB3  ASN  43           1HB      ASN  43  11.083 -10.620   1.020
  287   HD21  ASN  43          1HD2      ASN  43   9.444 -11.844  -1.065
  288   HD22  ASN  43          2HD2      ASN  43   8.967 -13.390  -0.455
  289    H    GLU  44           H        GLU  44   8.960  -7.438   1.697
  290    HA   GLU  44           HA       GLU  44  11.525  -6.591   2.752
  291    HB2  GLU  44           2HB      GLU  44  10.575  -5.859  -0.030
  292    HB3  GLU  44           1HB      GLU  44  11.985  -5.165   0.777
  293    HG2  GLU  44           2HG      GLU  44  13.016  -7.398   0.908
  294    HG3  GLU  44           1HG      GLU  44  11.629  -8.097   0.093
  295    H    ASP  45           H        ASP  45  11.826  -4.197   2.807
  296    HA   ASP  45           HA       ASP  45   9.694  -3.167   4.465
  297    HB2  ASP  45           2HB      ASP  45  12.109  -3.101   5.083
  298    HB3  ASP  45           1HB      ASP  45  12.388  -1.987   3.754
  299    H    TYR  46           H        TYR  46   8.104  -2.044   3.601
  300    HA   TYR  46           HA       TYR  46   8.348  -0.708   1.073
  301    HB2  TYR  46           2HB      TYR  46   6.224  -1.788   1.433
  302    HB3  TYR  46           1HB      TYR  46   5.960  -0.874   2.921
  303    HD1  TYR  46           2HD      TYR  46   5.994  -0.676  -0.785
  304    HD2  TYR  46           1HD      TYR  46   5.074   1.369   2.840
  305    HE1  TYR  46           2HE      TYR  46   4.751   1.129  -2.041
  306    HE2  TYR  46           1HE      TYR  46   3.895   3.095   1.530
  307    HH   TYR  46           HH       TYR  46   3.083   2.696  -1.589
  308    H    ILE  47           H        ILE  47   9.263   0.945   0.856
  309    HA   ILE  47           HA       ILE  47   8.893   3.329   2.578
  310    HB   ILE  47           HB       ILE  47  10.858   2.982   0.275
  311   HG12  ILE  47          2HG1      ILE  47  11.459   1.510   2.157
  312   HG13  ILE  47          1HG1      ILE  47  12.629   2.817   1.972
  313   HG21  ILE  47          1HG2      ILE  47  10.537   5.135   2.355
  314   HG22  ILE  47          2HG2      ILE  47  10.349   5.337   0.594
  315   HG23  ILE  47          3HG2      ILE  47  11.937   5.025   1.293
  316   HD11  ILE  47          3HD1      ILE  47  11.576   4.000   3.840
  317   HD12  ILE  47          1HD1      ILE  47  12.150   2.404   4.337
  318   HD13  ILE  47          2HD1      ILE  47  10.428   2.673   4.035
  319    H    CYS  48           H        CYS  48   7.974   5.404   1.537
  320    HA   CYS  48           HA       CYS  48   6.487   4.626  -0.854
  321    HB2  CYS  48           2HB      CYS  48   4.706   5.967  -0.135
  322    HB3  CYS  48           1HB      CYS  48   5.235   5.199   1.351
  323    H    ILE  49           H        ILE  49   5.741   6.789  -1.913
  324    HA   ILE  49           HA       ILE  49   7.825   8.104  -3.163
  325    HB   ILE  49           HB       ILE  49   5.651   7.935  -4.110
  326   HG12  ILE  49          2HG1      ILE  49   6.213  10.842  -3.583
  327   HG13  ILE  49          1HG1      ILE  49   7.119   9.853  -4.721
  328   HG21  ILE  49          1HG2      ILE  49   4.638   9.750  -1.916
  329   HG22  ILE  49          2HG2      ILE  49   4.250   8.037  -2.140
  330   HG23  ILE  49          3HG2      ILE  49   3.704   9.216  -3.310
  331   HD11  ILE  49          3HD1      ILE  49   5.120   9.481  -5.987
  332   HD12  ILE  49          1HD1      ILE  49   5.432  11.205  -5.862
  333   HD13  ILE  49          2HD1      ILE  49   4.161  10.453  -4.891
  334    H    ASN  50           H        ASN  50   6.006   9.153  -0.282
  335    HA   ASN  50           HA       ASN  50   7.378  11.681  -0.135
  336    HB2  ASN  50           2HB      ASN  50   5.448  10.360   1.782
  337    HB3  ASN  50           1HB      ASN  50   6.121  11.975   1.991
  338   HD21  ASN  50          1HD2      ASN  50   5.368  13.642   0.721
  339   HD22  ASN  50          2HD2      ASN  50   3.965  13.483  -0.268
  340    H    CYS  51           H        CYS  51   7.696   8.558   1.292
  341    HA   CYS  51           HA       CYS  51   9.455   9.358   3.438
  342    HB2  CYS  51           2HB      CYS  51   8.836   6.659   2.260
  343    HB3  CYS  51           1HB      CYS  51  10.076   6.856   3.468
  344    H    ALA  52           H        ALA  52   9.848   8.577   0.172
  345    HA   ALA  52           HA       ALA  52  12.661   7.933   0.436
  346    HB1  ALA  52           3HB      ALA  52  11.038   8.302  -2.091
  347    HB2  ALA  52           1HB      ALA  52  11.325   6.789  -1.218
  348    HB3  ALA  52           2HB      ALA  52  12.682   7.641  -1.977
  Start of MODEL   17
    1    HA   SER   1           HA       SER   1 -12.756   5.190   3.374
    2    HB2  SER   1           2HB      SER   1 -13.860   7.477   1.703
    3    HB3  SER   1           1HB      SER   1 -14.314   5.777   1.560
    4    HG   SER   1           HG       SER   1 -14.554   7.021   4.043
    5    H    VAL   2           H        VAL   2 -10.511   7.485   2.507
    6    HA   VAL   2           HA       VAL   2  -9.674   5.955   0.137
    7    HB   VAL   2           HB       VAL   2  -9.266   8.934   0.573
    8   HG11  VAL   2          1HG1      VAL   2  -7.546   7.848  -0.784
    9   HG12  VAL   2          2HG1      VAL   2  -8.518   8.956  -1.760
   10   HG13  VAL   2          3HG1      VAL   2  -8.815   7.211  -1.839
   11   HG21  VAL   2          3HG2      VAL   2 -10.925   9.315  -1.206
   12   HG22  VAL   2          1HG2      VAL   2 -11.629   8.475   0.181
   13   HG23  VAL   2          2HG2      VAL   2 -11.219   7.571  -1.277
   14    H    CYS   3           H        CYS   3  -7.485   5.443   0.046
   15    HA   CYS   3           HA       CYS   3  -6.091   5.549   2.591
   16    HB2  CYS   3           2HB      CYS   3  -4.829   3.779   1.747
   17    HB3  CYS   3           1HB      CYS   3  -6.324   3.565   0.828
   18    H    ALA   4           H        ALA   4  -3.493   5.665   1.972
   19    HA   ALA   4           HA       ALA   4  -3.047   8.270   0.685
   20    HB1  ALA   4           1HB      ALA   4  -1.194   6.467   2.283
   21    HB2  ALA   4           2HB      ALA   4  -1.938   7.958   2.873
   22    HB3  ALA   4           3HB      ALA   4  -0.732   8.012   1.610
   23    H    ALA   5           H        ALA   5  -2.736   8.085  -1.483
   24    HA   ALA   5           HA       ALA   5  -0.428   6.866  -2.519
   25    HB1  ALA   5           1HB      ALA   5  -1.433   5.267  -4.124
   26    HB2  ALA   5           2HB      ALA   5  -3.036   5.604  -3.502
   27    HB3  ALA   5           3HB      ALA   5  -1.850   4.783  -2.493
   28    H    GLN   6           H        GLN   6   0.177   8.100  -4.309
   29    HA   GLN   6           HA       GLN   6  -1.090  10.363  -5.075
   30    HB2  GLN   6           2HB      GLN   6   0.609   8.572  -6.837
   31    HB3  GLN   6           1HB      GLN   6   0.321  10.276  -7.108
   32    HG2  GLN   6           2HG      GLN   6   1.801   9.081  -4.762
   33    HG3  GLN   6           1HG      GLN   6   2.538   9.825  -6.173
   34   HE21  GLN   6          1HE2      GLN   6   0.892  10.408  -3.164
   35   HE22  GLN   6          2HE2      GLN   6   1.168  12.114  -3.164
   36    H    ASN   7           H        ASN   7  -1.372   7.221  -6.535
   37    HA   ASN   7           HA       ASN   7  -3.910   8.071  -7.783
   38    HB2  ASN   7           2HB      ASN   7  -2.264   7.589  -9.540
   39    HB3  ASN   7           1HB      ASN   7  -2.018   5.972  -8.876
   40   HD21  ASN   7          1HD2      ASN   7  -4.116   8.052 -10.659
   41   HD22  ASN   7          2HD2      ASN   7  -5.176   6.812 -11.239
   42    H    CYS   8           H        CYS   8  -5.426   7.347  -6.360
   43    HA   CYS   8           HA       CYS   8  -5.046   4.572  -5.738
   44    HB2  CYS   8           2HB      CYS   8  -5.148   5.881  -3.678
   45    HB3  CYS   8           1HB      CYS   8  -6.746   6.495  -4.154
   46    H    GLN   9           H        GLN   9  -6.159   3.190  -6.550
   47    HA   GLN   9           HA       GLN   9  -8.390   3.660  -8.331
   48    HB2  GLN   9           2HB      GLN   9  -7.242   1.099  -7.258
   49    HB3  GLN   9           1HB      GLN   9  -8.210   1.223  -8.709
   50    HG2  GLN   9           2HG      GLN   9  -6.357   2.647  -9.678
   51    HG3  GLN   9           1HG      GLN   9  -5.431   2.290  -8.243
   52   HE21  GLN   9          1HE2      GLN   9  -3.816   1.254  -9.362
   53   HE22  GLN   9          2HE2      GLN   9  -4.041  -0.304 -10.064
   54    H    ARG  10           H        ARG  10  -8.027   3.368  -5.142
   55    HA   ARG  10           HA       ARG  10  -9.043   2.621  -3.284
   56    HB2  ARG  10           2HB      ARG  10 -10.383   4.665  -4.181
   57    HB3  ARG  10           1HB      ARG  10 -11.640   3.496  -4.522
   58    HG2  ARG  10           2HG      ARG  10 -11.634   2.817  -2.147
   59    HG3  ARG  10           1HG      ARG  10 -10.453   4.093  -1.822
   60    HD2  ARG  10           2HD      ARG  10 -12.531   5.027  -1.241
   61    HD3  ARG  10           1HD      ARG  10 -12.153   5.680  -2.823
   62    HE   ARG  10           HE       ARG  10 -13.660   3.294  -3.039
   63   HH11  ARG  10          1HH1      ARG  10 -13.945   6.779  -2.694
   64   HH12  ARG  10          2HH1      ARG  10 -15.638   6.826  -2.948
   65   HH21  ARG  10          1HH2      ARG  10 -16.042   3.365  -3.399
   66   HH22  ARG  10          2HH2      ARG  10 -16.833   4.851  -3.310
   67    HA   PRO  11           HA       PRO  11 -10.706  -1.401  -5.058
   68    HB2  PRO  11           2HB      PRO  11  -8.300  -2.501  -3.789
   69    HB3  PRO  11           1HB      PRO  11  -8.850  -2.700  -5.448
   70    HG2  PRO  11           2HG      PRO  11  -6.703  -1.211  -4.950
   71    HG3  PRO  11           1HG      PRO  11  -7.926  -0.671  -6.138
   72    HD2  PRO  11           2HD      PRO  11  -7.633   0.092  -3.268
   73    HD3  PRO  11           1HD      PRO  11  -7.717   1.162  -4.695
   74    H    CYS  12           H        CYS  12 -12.127  -2.490  -3.808
   75    HA   CYS  12           HA       CYS  12 -11.532  -2.748  -0.957
   76    HB2  CYS  12           2HB      CYS  12 -13.326  -1.083  -1.339
   77    HB3  CYS  12           1HB      CYS  12 -14.236  -2.267  -2.248
   78    HG   CYS  12           HG       CYS  12 -13.424  -2.744   1.051
   79    H    LYS  13           H        LYS  13 -10.883  -4.795  -0.830
   80    HA   LYS  13           HA       LYS  13 -12.808  -6.870  -1.383
   81    HB2  LYS  13           2HB      LYS  13  -9.880  -6.989  -2.250
   82    HB3  LYS  13           1HB      LYS  13 -10.944  -8.390  -2.173
   83    HG2  LYS  13           2HG      LYS  13 -12.396  -7.311  -3.867
   84    HG3  LYS  13           1HG      LYS  13 -11.243  -5.998  -4.000
   85    HD2  LYS  13           2HD      LYS  13  -9.522  -7.570  -4.737
   86    HD3  LYS  13           1HD      LYS  13 -10.676  -8.905  -4.582
   87    HE2  LYS  13           2HE      LYS  13 -12.117  -7.849  -6.278
   88    HE3  LYS  13           1HE      LYS  13 -10.954  -6.539  -6.441
   89    HZ1  LYS  13           3HZ      LYS  13 -10.780  -8.201  -8.178
   90    HZ2  LYS  13           1HZ      LYS  13 -10.412  -9.398  -7.070
   91    HZ3  LYS  13           2HZ      LYS  13  -9.340  -8.114  -7.332
   92    H    ASP  14           H        ASP  14 -12.286  -8.777  -0.005
   93    HA   ASP  14           HA       ASP  14 -11.331  -7.743   2.498
   94    HB2  ASP  14           2HB      ASP  14 -12.476 -10.469   1.841
   95    HB3  ASP  14           1HB      ASP  14 -11.980  -9.964   3.451
   96    H    LYS  15           H        LYS  15 -10.251 -10.511   0.368
   97    HA   LYS  15           HA       LYS  15  -8.086 -11.132   1.989
   98    HB2  LYS  15           2HB      LYS  15  -8.712 -11.748  -0.889
   99    HB3  LYS  15           1HB      LYS  15  -7.430 -12.497   0.050
  100    HG2  LYS  15           2HG      LYS  15  -9.140 -13.435   1.545
  101    HG3  LYS  15           1HG      LYS  15 -10.382 -12.687   0.527
  102    HD2  LYS  15           2HD      LYS  15  -9.641 -13.977  -1.382
  103    HD3  LYS  15           1HD      LYS  15  -8.317 -14.665  -0.434
  104    HE2  LYS  15           2HE      LYS  15 -10.000 -15.684   1.077
  105    HE3  LYS  15           1HE      LYS  15 -11.274 -15.047   0.042
  106    HZ1  LYS  15           3HZ      LYS  15  -9.180 -16.981  -0.780
  107    HZ2  LYS  15           1HZ      LYS  15 -10.393 -16.388  -1.786
  108    HZ3  LYS  15           2HZ      LYS  15 -10.766 -17.359  -0.452
  109    H    VAL  16           H        VAL  16  -8.137  -8.218   0.825
  110    HA   VAL  16           HA       VAL  16  -5.565  -8.401  -0.582
  111    HB   VAL  16           HB       VAL  16  -7.179  -7.214  -1.956
  112   HG11  VAL  16          1HG1      VAL  16  -8.207  -5.112  -1.211
  113   HG12  VAL  16          2HG1      VAL  16  -7.394  -5.331   0.350
  114   HG13  VAL  16          3HG1      VAL  16  -8.646  -6.469  -0.151
  115   HG21  VAL  16          3HG2      VAL  16  -5.243  -5.259  -0.741
  116   HG22  VAL  16          1HG2      VAL  16  -5.968  -5.110  -2.335
  117   HG23  VAL  16          2HG2      VAL  16  -4.828  -6.428  -2.006
  118    H    ASP  17           H        ASP  17  -4.004  -8.251   0.624
  119    HA   ASP  17           HA       ASP  17  -3.837  -6.878   3.119
  120    HB2  ASP  17           2HB      ASP  17  -2.480  -8.859   2.643
  121    HB3  ASP  17           1HB      ASP  17  -1.560  -7.945   1.445
  122    H    TRP  18           H        TRP  18  -2.634  -5.097   3.758
  123    HA   TRP  18           HA       TRP  18  -2.344  -2.993   1.699
  124    HB2  TRP  18           2HB      TRP  18  -3.165  -2.743   4.619
  125    HB3  TRP  18           1HB      TRP  18  -2.873  -1.404   3.534
  126    HD1  TRP  18           HD       TRP  18  -5.056  -4.555   2.941
  127    HE1  TRP  18           1HE      TRP  18  -7.391  -3.830   2.348
  128    HE3  TRP  18           3HE      TRP  18  -4.394   0.470   3.477
  129    HZ2  TRP  18           2HZ      TRP  18  -8.873  -1.349   2.190
  130    HZ3  TRP  18           3HZ      TRP  18  -6.330   1.963   3.088
  131    HH2  TRP  18           HH       TRP  18  -8.512   1.065   2.463
  132    H    VAL  19           H        VAL  19  -0.600  -1.233   2.298
  133    HA   VAL  19           HA       VAL  19   1.434  -2.455   3.906
  134    HB   VAL  19           HB       VAL  19   3.107  -1.544   2.335
  135   HG11  VAL  19          1HG1      VAL  19   1.183  -3.494   1.077
  136   HG12  VAL  19          2HG1      VAL  19   2.498  -3.884   2.175
  137   HG13  VAL  19          3HG1      VAL  19   2.849  -3.232   0.563
  138   HG21  VAL  19          3HG2      VAL  19   1.808   0.181   1.284
  139   HG22  VAL  19          1HG2      VAL  19   0.755  -1.007   0.514
  140   HG23  VAL  19          2HG2      VAL  19   2.467  -0.856   0.043
  141    H    GLN  20           H        GLN  20   2.437  -1.123   5.178
  142    HA   GLN  20           HA       GLN  20   1.588   1.708   5.226
  143    HB2  GLN  20           2HB      GLN  20   0.944   0.414   7.220
  144    HB3  GLN  20           1HB      GLN  20   2.642  -0.039   7.469
  145    HG2  GLN  20           2HG      GLN  20   3.164   2.319   7.840
  146    HG3  GLN  20           1HG      GLN  20   1.468   2.733   7.622
  147   HE21  GLN  20          1HE2      GLN  20   3.238   3.078   9.933
  148   HE22  GLN  20          2HE2      GLN  20   2.428   2.309  11.240
  149    H    CYS  21           H        CYS  21   3.148   3.312   5.151
  150    HA   CYS  21           HA       CYS  21   5.871   2.321   4.775
  151    HB2  CYS  21           2HB      CYS  21   6.448   4.579   3.800
  152    HB3  CYS  21           1HB      CYS  21   5.024   3.930   3.045
  153    H    ASP  22           H        ASP  22   6.916   2.004   6.533
  154    HA   ASP  22           HA       ASP  22   6.372   3.588   8.926
  155    HB2  ASP  22           2HB      ASP  22   8.076   1.124   8.481
  156    HB3  ASP  22           1HB      ASP  22   7.929   1.954  10.038
  157    H    GLY  23           H        GLY  23   7.711   4.655   6.637
  158    HA2  GLY  23           2HA      GLY  23  10.473   5.080   7.577
  159    HA3  GLY  23           1HA      GLY  23   9.910   5.435   5.946
  160    H    GLY  24           H        GLY  24   7.506   6.515   8.053
  161    HA2  GLY  24           2HA      GLY  24   8.261   8.707   9.316
  162    HA3  GLY  24           1HA      GLY  24   8.500   9.224   7.669
  163    H    CYS  25           H        CYS  25   6.029   7.825   6.654
  164    HA   CYS  25           HA       CYS  25   4.237   9.988   7.499
  165    HB2  CYS  25           2HB      CYS  25   3.523   7.890   5.428
  166    HB3  CYS  25           1HB      CYS  25   2.885   9.500   5.602
  167    H    ASP  26           H        ASP  26   4.619   6.538   7.702
  168    HA   ASP  26           HA       ASP  26   3.544   4.815   8.624
  169    HB2  ASP  26           2HB      ASP  26   2.315   6.871  10.502
  170    HB3  ASP  26           1HB      ASP  26   2.377   5.153  10.752
  171    H    GLU  27           H        GLU  27   2.198   6.337   6.507
  172    HA   GLU  27           HA       GLU  27  -0.584   5.918   7.136
  173    HB2  GLU  27           2HB      GLU  27   0.778   7.159   4.767
  174    HB3  GLU  27           1HB      GLU  27  -0.964   6.932   4.802
  175    HG2  GLU  27           2HG      GLU  27  -0.932   8.310   6.970
  176    HG3  GLU  27           1HG      GLU  27   0.744   8.621   6.626
  177    H    TRP  28           H        TRP  28  -1.971   4.917   5.455
  178    HA   TRP  28           HA       TRP  28  -0.801   2.296   4.774
  179    HB2  TRP  28           2HB      TRP  28  -3.655   2.997   5.457
  180    HB3  TRP  28           1HB      TRP  28  -3.167   1.427   4.836
  181    HD1  TRP  28           HD       TRP  28  -2.600   3.685   7.941
  182    HE1  TRP  28           1HE      TRP  28  -1.965   2.154   9.916
  183    HE3  TRP  28           3HE      TRP  28  -2.318  -0.784   5.477
  184    HZ2  TRP  28           2HZ      TRP  28  -1.439  -0.571  10.376
  185    HZ3  TRP  28           3HZ      TRP  28  -1.750  -2.814   6.769
  186    HH2  TRP  28           HH       TRP  28  -1.318  -2.703   9.142
  187    H    PHE  29           H        PHE  29  -0.668   1.634   2.818
  188    HA   PHE  29           HA       PHE  29  -2.053   3.075   0.643
  189    HB2  PHE  29           2HB      PHE  29   0.577   1.544   0.469
  190    HB3  PHE  29           1HB      PHE  29  -0.141   2.591  -0.721
  191    HD1  PHE  29           1HD      PHE  29   1.181   2.699   2.751
  192    HD2  PHE  29           2HD      PHE  29   0.610   4.832  -0.889
  193    HE1  PHE  29           1HE      PHE  29   2.458   4.579   3.637
  194    HE2  PHE  29           2HE      PHE  29   1.905   6.706   0.019
  195    HZ   PHE  29           HZ       PHE  29   2.829   6.547   2.330
  196    H    HIS  30           H        HIS  30  -2.697   1.733  -1.096
  197    HA   HIS  30           HA       HIS  30  -3.320  -1.081  -0.415
  198    HB2  HIS  30           2HB      HIS  30  -4.125   0.762  -2.585
  199    HB3  HIS  30           1HB      HIS  30  -4.490  -0.879  -2.887
  200    HD2  HIS  30           2HD      HIS  30  -6.436  -1.747  -0.639
  201    HE1  HIS  30           1HE      HIS  30  -8.089   2.140  -0.797
  202    HE2  HIS  30           2HE      HIS  30  -8.538  -0.291  -0.358
  203    H    GLN  31           H        GLN  31  -2.246  -2.767  -1.461
  204    HA   GLN  31           HA       GLN  31   0.188  -2.279  -2.643
  205    HB2  GLN  31           2HB      GLN  31  -1.485  -4.775  -2.757
  206    HB3  GLN  31           1HB      GLN  31   0.083  -4.638  -3.556
  207    HG2  GLN  31           2HG      GLN  31   1.154  -4.149  -1.455
  208    HG3  GLN  31           1HG      GLN  31  -0.375  -4.251  -0.593
  209   HE21  GLN  31          1HE2      GLN  31  -1.257  -6.297  -0.218
  210   HE22  GLN  31          2HE2      GLN  31  -0.349  -7.737  -0.452
  211    H    VAL  32           H        VAL  32  -2.808  -2.988  -4.484
  212    HA   VAL  32           HA       VAL  32  -1.449  -2.792  -6.961
  213    HB   VAL  32           HB       VAL  32  -3.576  -4.000  -6.819
  214   HG11  VAL  32          1HG1      VAL  32  -4.681  -1.286  -6.395
  215   HG12  VAL  32          2HG1      VAL  32  -4.640  -2.556  -5.159
  216   HG13  VAL  32          3HG1      VAL  32  -5.699  -2.715  -6.589
  217   HG21  VAL  32          3HG2      VAL  32  -4.701  -3.007  -8.801
  218   HG22  VAL  32          1HG2      VAL  32  -2.920  -3.051  -8.976
  219   HG23  VAL  32          2HG2      VAL  32  -3.729  -1.559  -8.497
  220    H    CYS  33           H        CYS  33  -3.073  -0.524  -5.055
  221    HA   CYS  33           HA       CYS  33  -3.146   1.573  -7.074
  222    HB2  CYS  33           2HB      CYS  33  -4.300   2.969  -5.570
  223    HB3  CYS  33           1HB      CYS  33  -4.768   1.391  -5.097
  224    H    VAL  34           H        VAL  34  -0.771   0.717  -4.596
  225    HA   VAL  34           HA       VAL  34   0.709   2.983  -5.578
  226    HB   VAL  34           HB       VAL  34   0.184   2.350  -2.979
  227   HG11  VAL  34          1HG1      VAL  34   2.650   0.927  -3.358
  228   HG12  VAL  34          2HG1      VAL  34   1.065   0.248  -2.946
  229   HG13  VAL  34          3HG1      VAL  34   1.877   1.342  -1.827
  230   HG21  VAL  34          3HG2      VAL  34   1.129   4.309  -3.791
  231   HG22  VAL  34          1HG2      VAL  34   2.711   3.521  -4.001
  232   HG23  VAL  34          2HG2      VAL  34   1.999   3.722  -2.360
  233    H    GLY  35           H        GLY  35   0.280   0.157  -6.664
  234    HA2  GLY  35           2HA      GLY  35   1.468  -1.356  -7.985
  235    HA3  GLY  35           1HA      GLY  35   2.730  -0.169  -8.033
  236    H    VAL  36           H        VAL  36   1.709  -1.948  -5.105
  237    HA   VAL  36           HA       VAL  36   4.376  -3.109  -4.864
  238    HB   VAL  36           HB       VAL  36   2.011  -3.125  -2.955
  239   HG11  VAL  36          1HG1      VAL  36   3.595  -3.867  -1.257
  240   HG12  VAL  36          2HG1      VAL  36   4.834  -4.071  -2.525
  241   HG13  VAL  36          3HG1      VAL  36   3.354  -5.033  -2.552
  242   HG21  VAL  36          3HG2      VAL  36   3.412  -1.571  -1.621
  243   HG22  VAL  36          1HG2      VAL  36   2.823  -0.966  -3.169
  244   HG23  VAL  36          2HG2      VAL  36   4.504  -1.488  -3.014
  245    H    SER  37           H        SER  37   4.725  -5.485  -4.746
  246    HA   SER  37           HA       SER  37   2.517  -7.031  -5.685
  247    HB2  SER  37           2HB      SER  37   4.392  -8.582  -6.268
  248    HB3  SER  37           1HB      SER  37   4.579  -7.009  -7.041
  249    HG   SER  37           HG       SER  37   6.525  -7.830  -6.015
  250    HA   PRO  38           HA       PRO  38   1.871  -8.865  -1.701
  251    HB2  PRO  38           2HB      PRO  38   2.322 -11.588  -2.378
  252    HB3  PRO  38           1HB      PRO  38   0.780 -10.745  -2.340
  253    HG2  PRO  38           2HG      PRO  38   2.597 -11.274  -4.613
  254    HG3  PRO  38           1HG      PRO  38   0.827 -11.205  -4.626
  255    HD2  PRO  38           2HD      PRO  38   2.294  -9.252  -5.670
  256    HD3  PRO  38           1HD      PRO  38   0.848  -8.831  -4.749
  257    H    GLU  39           H        GLU  39   4.658 -10.256  -3.480
  258    HA   GLU  39           HA       GLU  39   6.225 -11.287  -1.418
  259    HB2  GLU  39           2HB      GLU  39   6.530 -11.655  -3.839
  260    HB3  GLU  39           1HB      GLU  39   6.951  -9.963  -4.033
  261    HG2  GLU  39           2HG      GLU  39   8.967 -10.347  -2.654
  262    HG3  GLU  39           1HG      GLU  39   8.496 -12.053  -2.511
  263    H    MET  40           H        MET  40   5.929  -7.922  -2.564
  264    HA   MET  40           HA       MET  40   8.297  -7.205  -1.156
  265    HB2  MET  40           2HB      MET  40   7.328  -5.906  -3.237
  266    HB3  MET  40           1HB      MET  40   6.177  -5.379  -2.115
  267    HG2  MET  40           2HG      MET  40   7.476  -4.054  -0.888
  268    HG3  MET  40           1HG      MET  40   8.957  -4.949  -1.227
  269    HE1  MET  40           3HE      MET  40   6.390  -3.588  -3.939
  270    HE2  MET  40           1HE      MET  40   6.982  -1.943  -4.192
  271    HE3  MET  40           2HE      MET  40   6.283  -2.410  -2.631
  272    H    ALA  41           H        ALA  41   4.864  -6.950  -0.561
  273    HA   ALA  41           HA       ALA  41   4.847  -5.463   1.781
  274    HB1  ALA  41           1HB      ALA  41   2.671  -6.499   2.214
  275    HB2  ALA  41           2HB      ALA  41   3.054  -7.761   1.042
  276    HB3  ALA  41           3HB      ALA  41   2.837  -6.108   0.498
  277    H    GLU  42           H        GLU  42   5.032  -8.942   1.478
  278    HA   GLU  42           HA       GLU  42   5.471  -9.159   4.364
  279    HB2  GLU  42           2HB      GLU  42   5.360 -11.422   2.407
  280    HB3  GLU  42           1HB      GLU  42   5.511 -11.595   4.145
  281    HG2  GLU  42           2HG      GLU  42   3.300 -10.448   4.363
  282    HG3  GLU  42           1HG      GLU  42   3.159 -10.578   2.588
  283    H    ASN  43           H        ASN  43   7.586  -9.191   1.589
  284    HA   ASN  43           HA       ASN  43   9.512 -10.636   3.194
  285    HB2  ASN  43           2HB      ASN  43   9.517 -10.072   0.229
  286    HB3  ASN  43           1HB      ASN  43  10.820 -10.854   1.121
  287   HD21  ASN  43          1HD2      ASN  43  10.460 -12.902   1.883
  288   HD22  ASN  43          2HD2      ASN  43   9.191 -13.944   1.339
  289    H    GLU  44           H        GLU  44   8.943  -7.430   1.950
  290    HA   GLU  44           HA       GLU  44  11.441  -6.728   3.198
  291    HB2  GLU  44           2HB      GLU  44  10.913  -6.104   0.313
  292    HB3  GLU  44           1HB      GLU  44  12.086  -5.204   1.264
  293    HG2  GLU  44           2HG      GLU  44  13.220  -7.356   1.767
  294    HG3  GLU  44           1HG      GLU  44  12.110  -8.145   0.662
  295    H    ASP  45           H        ASP  45  11.821  -4.276   2.774
  296    HA   ASP  45           HA       ASP  45   9.934  -3.051   4.520
  297    HB2  ASP  45           2HB      ASP  45  12.297  -2.969   4.903
  298    HB3  ASP  45           1HB      ASP  45  12.555  -2.263   3.314
  299    H    TYR  46           H        TYR  46   8.248  -2.002   3.709
  300    HA   TYR  46           HA       TYR  46   8.375  -0.699   1.129
  301    HB2  TYR  46           2HB      TYR  46   6.264  -1.809   1.459
  302    HB3  TYR  46           1HB      TYR  46   5.995  -0.964   2.993
  303    HD1  TYR  46           1HD      TYR  46   5.881  -0.710  -0.689
  304    HD2  TYR  46           2HD      TYR  46   5.160   1.326   2.976
  305    HE1  TYR  46           1HE      TYR  46   4.566   1.123  -1.887
  306    HE2  TYR  46           2HE      TYR  46   3.915   3.056   1.756
  307    HH   TYR  46           HH       TYR  46   2.899   2.736  -1.347
  308    H    ILE  47           H        ILE  47   9.256   0.967   0.988
  309    HA   ILE  47           HA       ILE  47   8.761   3.324   2.729
  310    HB   ILE  47           HB       ILE  47  11.008   2.933   0.687
  311   HG12  ILE  47          2HG1      ILE  47  11.328   1.585   2.719
  312   HG13  ILE  47          1HG1      ILE  47  12.518   2.870   2.637
  313   HG21  ILE  47          1HG2      ILE  47  10.482   5.152   2.611
  314   HG22  ILE  47          2HG2      ILE  47  10.364   5.263   0.835
  315   HG23  ILE  47          3HG2      ILE  47  11.940   5.028   1.618
  316   HD11  ILE  47          3HD1      ILE  47  10.045   2.825   4.344
  317   HD12  ILE  47          1HD1      ILE  47  11.192   4.169   4.269
  318   HD13  ILE  47          2HD1      ILE  47  11.708   2.606   4.887
  319    H    CYS  48           H        CYS  48   7.829   5.338   1.731
  320    HA   CYS  48           HA       CYS  48   6.501   4.635  -0.753
  321    HB2  CYS  48           2HB      CYS  48   4.858   6.243  -0.191
  322    HB3  CYS  48           1HB      CYS  48   5.204   5.429   1.333
  323    H    ILE  49           H        ILE  49   6.061   6.680  -2.035
  324    HA   ILE  49           HA       ILE  49   8.333   7.734  -3.200
  325    HB   ILE  49           HB       ILE  49   6.179   7.715  -4.308
  326   HG12  ILE  49          2HG1      ILE  49   7.141  10.521  -3.952
  327   HG13  ILE  49          1HG1      ILE  49   7.912   9.313  -5.000
  328   HG21  ILE  49          1HG2      ILE  49   4.403   9.310  -3.759
  329   HG22  ILE  49          2HG2      ILE  49   5.336   9.864  -2.368
  330   HG23  ILE  49          3HG2      ILE  49   4.728   8.214  -2.412
  331   HD11  ILE  49          3HD1      ILE  49   6.506  10.777  -6.332
  332   HD12  ILE  49          1HD1      ILE  49   5.140  10.391  -5.257
  333   HD13  ILE  49          2HD1      ILE  49   5.882   9.127  -6.259
  334    H    ASN  50           H        ASN  50   6.534   9.052  -0.471
  335    HA   ASN  50           HA       ASN  50   8.003  11.565  -0.475
  336    HB2  ASN  50           2HB      ASN  50   6.100  10.437   1.607
  337    HB3  ASN  50           1HB      ASN  50   6.771  12.051   1.621
  338   HD21  ASN  50          1HD2      ASN  50   5.934  13.617   0.217
  339   HD22  ASN  50          2HD2      ASN  50   4.479  13.342  -0.656
  340    H    CYS  51           H        CYS  51   8.025   8.520   1.237
  341    HA   CYS  51           HA       CYS  51   9.925   9.348   3.208
  342    HB2  CYS  51           2HB      CYS  51   8.853   6.629   2.413
  343    HB3  CYS  51           1HB      CYS  51  10.125   6.830   3.603
  344    H    ALA  52           H        ALA  52  10.109   8.128   0.034
  345    HA   ALA  52           HA       ALA  52  12.839   7.177   0.229
  346    HB1  ALA  52           3HB      ALA  52  12.722   6.719  -2.141
  347    HB2  ALA  52           1HB      ALA  52  11.217   7.644  -2.270
  348    HB3  ALA  52           2HB      ALA  52  11.257   6.155  -1.318
  Start of MODEL   18
    1    HA   SER   1           HA       SER   1 -12.441   6.130   3.731
    2    HB2  SER   1           2HB      SER   1 -11.950   4.873   5.827
    3    HB3  SER   1           1HB      SER   1 -10.646   4.014   5.001
    4    HG   SER   1           HG       SER   1  -9.613   5.648   6.036
    5    H    VAL   2           H        VAL   2 -10.478   7.259   3.037
    6    HA   VAL   2           HA       VAL   2  -9.419   6.060   0.579
    7    HB   VAL   2           HB       VAL   2  -9.505   8.947   1.512
    8   HG11  VAL   2          1HG1      VAL   2  -8.551   7.809  -1.122
    9   HG12  VAL   2          2HG1      VAL   2  -7.542   8.558   0.128
   10   HG13  VAL   2          3HG1      VAL   2  -8.712   9.530  -0.758
   11   HG21  VAL   2          3HG2      VAL   2 -11.724   8.227   0.853
   12   HG22  VAL   2          1HG2      VAL   2 -11.091   7.561  -0.658
   13   HG23  VAL   2          2HG2      VAL   2 -11.076   9.304  -0.365
   14    H    CYS   3           H        CYS   3  -7.307   5.516   0.482
   15    HA   CYS   3           HA       CYS   3  -5.824   5.978   2.918
   16    HB2  CYS   3           2HB      CYS   3  -4.845   3.976   2.573
   17    HB3  CYS   3           1HB      CYS   3  -6.177   3.703   1.473
   18    H    ALA   4           H        ALA   4  -3.280   5.836   2.112
   19    HA   ALA   4           HA       ALA   4  -2.919   8.455   0.850
   20    HB1  ALA   4           1HB      ALA   4  -0.646   8.321   1.731
   21    HB2  ALA   4           2HB      ALA   4  -0.957   6.678   2.311
   22    HB3  ALA   4           3HB      ALA   4  -1.804   8.041   3.035
   23    H    ALA   5           H        ALA   5  -2.605   8.417  -1.322
   24    HA   ALA   5           HA       ALA   5  -0.288   7.208  -2.396
   25    HB1  ALA   5           1HB      ALA   5  -1.747   5.195  -2.438
   26    HB2  ALA   5           2HB      ALA   5  -1.314   5.729  -4.055
   27    HB3  ALA   5           3HB      ALA   5  -2.914   6.088  -3.426
   28    H    GLN   6           H        GLN   6   0.323   8.250  -4.277
   29    HA   GLN   6           HA       GLN   6  -0.600  10.548  -5.239
   30    HB2  GLN   6           2HB      GLN   6   1.471   9.248  -5.890
   31    HB3  GLN   6           1HB      GLN   6   0.448   8.251  -6.901
   32    HG2  GLN   6           2HG      GLN   6  -0.074  10.225  -8.249
   33    HG3  GLN   6           1HG      GLN   6   1.027  11.174  -7.239
   34   HE21  GLN   6          1HE2      GLN   6   0.746   8.716  -9.707
   35   HE22  GLN   6          2HE2      GLN   6   2.422   8.708 -10.117
   36    H    ASN   7           H        ASN   7  -1.605   7.466  -6.210
   37    HA   ASN   7           HA       ASN   7  -4.272   8.491  -7.045
   38    HB2  ASN   7           2HB      ASN   7  -3.077   8.126  -9.184
   39    HB3  ASN   7           1HB      ASN   7  -2.748   6.464  -8.726
   40   HD21  ASN   7          1HD2      ASN   7  -4.438   4.974  -8.833
   41   HD22  ASN   7          2HD2      ASN   7  -5.921   5.265  -9.682
   42    H    CYS   8           H        CYS   8  -5.461   7.682  -5.338
   43    HA   CYS   8           HA       CYS   8  -4.951   4.948  -4.674
   44    HB2  CYS   8           2HB      CYS   8  -4.981   6.457  -2.756
   45    HB3  CYS   8           1HB      CYS   8  -6.590   7.004  -3.234
   46    H    GLN   9           H        GLN   9  -6.127   3.460  -5.496
   47    HA   GLN   9           HA       GLN   9  -8.636   3.924  -6.851
   48    HB2  GLN   9           2HB      GLN   9  -7.227   1.287  -6.321
   49    HB3  GLN   9           1HB      GLN   9  -8.417   1.665  -7.556
   50    HG2  GLN   9           2HG      GLN   9  -6.812   3.074  -8.717
   51    HG3  GLN   9           1HG      GLN   9  -5.637   2.786  -7.446
   52   HE21  GLN   9          1HE2      GLN   9  -4.122   1.846  -8.786
   53   HE22  GLN   9          2HE2      GLN   9  -4.366   0.294  -9.485
   54    H    ARG  10           H        ARG  10 -10.440   2.491  -6.240
   55    HA   ARG  10           HA       ARG  10 -10.406   1.879  -3.382
   56    HB2  ARG  10           2HB      ARG  10 -12.765   3.056  -4.878
   57    HB3  ARG  10           1HB      ARG  10 -12.971   2.232  -3.343
   58    HG2  ARG  10           2HG      ARG  10 -12.927   4.526  -2.931
   59    HG3  ARG  10           1HG      ARG  10 -11.418   3.854  -2.315
   60    HD2  ARG  10           2HD      ARG  10 -10.983   5.914  -3.375
   61    HD3  ARG  10           1HD      ARG  10 -10.318   4.646  -4.416
   62    HE   ARG  10           HE       ARG  10 -12.915   5.176  -5.235
   63   HH11  ARG  10          1HH1      ARG  10  -9.716   6.724  -5.326
   64   HH12  ARG  10          2HH1      ARG  10 -10.117   7.826  -6.536
   65   HH21  ARG  10          1HH2      ARG  10 -13.472   6.678  -6.915
   66   HH22  ARG  10          2HH2      ARG  10 -12.317   7.781  -7.493
   67    HA   PRO  11           HA       PRO  11 -11.192  -2.309  -4.970
   68    HB2  PRO  11           2HB      PRO  11  -9.567  -2.788  -2.555
   69    HB3  PRO  11           1HB      PRO  11  -9.333  -3.472  -4.191
   70    HG2  PRO  11           2HG      PRO  11  -7.686  -1.653  -3.205
   71    HG3  PRO  11           1HG      PRO  11  -8.193  -1.568  -4.897
   72    HD2  PRO  11           2HD      PRO  11  -9.205   0.076  -2.569
   73    HD3  PRO  11           1HD      PRO  11  -8.815   0.537  -4.219
   74    H    CYS  12           H        CYS  12 -12.437  -3.969  -3.888
   75    HA   CYS  12           HA       CYS  12 -13.544  -3.262  -1.259
   76    HB2  CYS  12           2HB      CYS  12 -15.767  -3.959  -2.211
   77    HB3  CYS  12           1HB      CYS  12 -15.109  -2.457  -2.865
   78    HG   CYS  12           HG       CYS  12 -16.199  -3.586  -5.023
   79    H    LYS  13           H        LYS  13 -11.520  -5.279  -2.113
   80    HA   LYS  13           HA       LYS  13 -13.014  -7.789  -1.869
   81    HB2  LYS  13           2HB      LYS  13 -10.090  -7.377  -2.480
   82    HB3  LYS  13           1HB      LYS  13 -10.942  -8.919  -2.458
   83    HG2  LYS  13           2HG      LYS  13 -12.347  -8.148  -4.321
   84    HG3  LYS  13           1HG      LYS  13 -11.443  -6.630  -4.356
   85    HD2  LYS  13           2HD      LYS  13  -9.376  -7.919  -4.798
   86    HD3  LYS  13           1HD      LYS  13 -10.332  -9.396  -4.819
   87    HE2  LYS  13           2HE      LYS  13 -11.644  -8.461  -6.706
   88    HE3  LYS  13           1HE      LYS  13 -10.578  -7.053  -6.691
   89    HZ1  LYS  13           3HZ      LYS  13  -9.905  -8.681  -8.375
   90    HZ2  LYS  13           1HZ      LYS  13  -9.732  -9.861  -7.195
   91    HZ3  LYS  13           2HZ      LYS  13  -8.712  -8.536  -7.200
   92    H    ASP  14           H        ASP  14 -12.777  -9.262  -0.294
   93    HA   ASP  14           HA       ASP  14 -11.883  -8.414   2.252
   94    HB2  ASP  14           2HB      ASP  14 -12.319 -11.259   1.251
   95    HB3  ASP  14           1HB      ASP  14 -12.208 -10.757   2.930
   96    H    LYS  15           H        LYS  15 -10.580 -10.875  -0.026
   97    HA   LYS  15           HA       LYS  15  -8.046 -10.962   1.203
   98    HB2  LYS  15           2HB      LYS  15  -9.037 -11.892  -1.493
   99    HB3  LYS  15           1HB      LYS  15  -7.449 -12.275  -0.821
  100    HG2  LYS  15           2HG      LYS  15  -8.482 -13.589   0.916
  101    HG3  LYS  15           1HG      LYS  15 -10.082 -13.066   0.430
  102    HD2  LYS  15           2HD      LYS  15  -9.845 -14.152  -1.724
  103    HD3  LYS  15           1HD      LYS  15  -8.190 -14.620  -1.335
  104    HE2  LYS  15           2HE      LYS  15 -10.639 -15.505   0.223
  105    HE3  LYS  15           1HE      LYS  15  -9.928 -16.467  -1.053
  106    HZ1  LYS  15           3HZ      LYS  15  -9.193 -17.179   1.112
  107    HZ2  LYS  15           1HZ      LYS  15  -8.565 -15.666   1.481
  108    HZ3  LYS  15           2HZ      LYS  15  -7.888 -16.612   0.238
  109    H    VAL  16           H        VAL  16  -7.295  -8.798   1.237
  110    HA   VAL  16           HA       VAL  16  -5.533  -8.247  -0.831
  111    HB   VAL  16           HB       VAL  16  -7.389  -7.198  -2.041
  112   HG11  VAL  16          1HG1      VAL  16  -7.778  -5.608   0.421
  113   HG12  VAL  16          2HG1      VAL  16  -8.924  -6.793  -0.282
  114   HG13  VAL  16          3HG1      VAL  16  -8.606  -5.271  -1.108
  115   HG21  VAL  16          3HG2      VAL  16  -6.498  -4.920  -2.323
  116   HG22  VAL  16          1HG2      VAL  16  -5.192  -6.110  -2.212
  117   HG23  VAL  16          2HG2      VAL  16  -5.583  -5.126  -0.815
  118    H    ASP  17           H        ASP  17  -4.084  -8.217   0.481
  119    HA   ASP  17           HA       ASP  17  -3.937  -6.967   2.989
  120    HB2  ASP  17           2HB      ASP  17  -1.687  -7.926   1.228
  121    HB3  ASP  17           1HB      ASP  17  -1.472  -7.413   2.894
  122    H    TRP  18           H        TRP  18  -2.962  -5.185   3.773
  123    HA   TRP  18           HA       TRP  18  -2.548  -2.921   1.916
  124    HB2  TRP  18           2HB      TRP  18  -3.463  -3.010   4.794
  125    HB3  TRP  18           1HB      TRP  18  -3.106  -1.525   3.912
  126    HD1  TRP  18           HD       TRP  18  -5.344  -4.580   3.014
  127    HE1  TRP  18           1HE      TRP  18  -7.612  -3.751   2.317
  128    HE3  TRP  18           3HE      TRP  18  -4.531   0.387   3.740
  129    HZ2  TRP  18           2HZ      TRP  18  -8.968  -1.235   2.139
  130    HZ3  TRP  18           3HZ      TRP  18  -6.352   1.962   3.294
  131    HH2  TRP  18           HH       TRP  18  -8.541   1.183   2.508
  132    H    VAL  19           H        VAL  19  -0.834  -1.210   2.712
  133    HA   VAL  19           HA       VAL  19   1.173  -2.497   4.337
  134    HB   VAL  19           HB       VAL  19   2.939  -1.558   2.813
  135   HG11  VAL  19          1HG1      VAL  19   1.092  -3.525   1.471
  136   HG12  VAL  19          2HG1      VAL  19   2.311  -3.931   2.675
  137   HG13  VAL  19          3HG1      VAL  19   2.802  -3.276   1.113
  138   HG21  VAL  19          3HG2      VAL  19   2.312  -0.955   0.502
  139   HG22  VAL  19          1HG2      VAL  19   1.612   0.144   1.683
  140   HG23  VAL  19          2HG2      VAL  19   0.608  -1.086   0.942
  141    H    GLN  20           H        GLN  20   2.342  -1.162   5.580
  142    HA   GLN  20           HA       GLN  20   1.579   1.693   5.675
  143    HB2  GLN  20           2HB      GLN  20   0.953   0.382   7.674
  144    HB3  GLN  20           1HB      GLN  20   2.625  -0.088   7.888
  145    HG2  GLN  20           2HG      GLN  20   3.215   2.311   8.243
  146    HG3  GLN  20           1HG      GLN  20   1.505   2.694   8.114
  147   HE21  GLN  20          1HE2      GLN  20   0.132   2.202   9.766
  148   HE22  GLN  20          2HE2      GLN  20   0.713   1.726  11.336
  149    H    CYS  21           H        CYS  21   3.170   3.188   5.655
  150    HA   CYS  21           HA       CYS  21   5.783   2.325   4.655
  151    HB2  CYS  21           2HB      CYS  21   4.623   4.317   3.683
  152    HB3  CYS  21           1HB      CYS  21   4.822   5.148   5.189
  153    H    ASP  22           H        ASP  22   7.029   1.385   5.989
  154    HA   ASP  22           HA       ASP  22   7.362   2.454   8.681
  155    HB2  ASP  22           2HB      ASP  22   7.475  -0.122   7.602
  156    HB3  ASP  22           1HB      ASP  22   9.163   0.299   7.865
  157    H    GLY  23           H        GLY  23   8.310   3.471   5.908
  158    HA2  GLY  23           2HA      GLY  23  11.145   3.766   6.402
  159    HA3  GLY  23           1HA      GLY  23  10.258   4.367   4.989
  160    H    GLY  24           H        GLY  24   8.365   5.177   7.489
  161    HA2  GLY  24           2HA      GLY  24   9.284   7.021   9.116
  162    HA3  GLY  24           1HA      GLY  24   9.514   7.864   7.616
  163    H    CYS  25           H        CYS  25   6.904   6.640   6.553
  164    HA   CYS  25           HA       CYS  25   5.377   8.479   8.195
  165    HB2  CYS  25           2HB      CYS  25   4.077   9.334   6.329
  166    HB3  CYS  25           1HB      CYS  25   5.790   9.559   5.972
  167    H    ASP  26           H        ASP  26   4.733   6.968   9.418
  168    HA   ASP  26           HA       ASP  26   3.295   4.731   9.339
  169    HB2  ASP  26           2HB      ASP  26   2.058   5.325  11.368
  170    HB3  ASP  26           1HB      ASP  26   3.711   5.887  11.430
  171    H    GLU  27           H        GLU  27   2.210   6.669   7.114
  172    HA   GLU  27           HA       GLU  27  -0.641   6.371   7.494
  173    HB2  GLU  27           2HB      GLU  27   0.933   7.389   5.107
  174    HB3  GLU  27           1HB      GLU  27  -0.819   7.371   5.191
  175    HG2  GLU  27           2HG      GLU  27  -0.586   8.859   7.269
  176    HG3  GLU  27           1HG      GLU  27   1.106   8.956   6.860
  177    H    TRP  28           H        TRP  28  -1.915   5.299   5.805
  178    HA   TRP  28           HA       TRP  28  -0.672   2.699   5.191
  179    HB2  TRP  28           2HB      TRP  28  -3.546   3.342   5.815
  180    HB3  TRP  28           1HB      TRP  28  -3.048   1.802   5.126
  181    HD1  TRP  28           HD       TRP  28  -2.450   3.924   8.339
  182    HE1  TRP  28           1HE      TRP  28  -1.936   2.303  10.267
  183    HE3  TRP  28           3HE      TRP  28  -2.363  -0.447   5.692
  184    HZ2  TRP  28           2HZ      TRP  28  -1.561  -0.495  10.605
  185    HZ3  TRP  28           3HZ      TRP  28  -1.925  -2.540   6.884
  186    HH2  TRP  28           HH       TRP  28  -1.527  -2.556   9.302
  187    H    PHE  29           H        PHE  29  -0.508   1.963   3.266
  188    HA   PHE  29           HA       PHE  29  -1.829   3.391   1.036
  189    HB2  PHE  29           2HB      PHE  29   0.863   1.935   0.923
  190    HB3  PHE  29           1HB      PHE  29   0.133   2.927  -0.310
  191    HD1  PHE  29           1HD      PHE  29   1.411   3.149   3.175
  192    HD2  PHE  29           2HD      PHE  29   0.743   5.201  -0.494
  193    HE1  PHE  29           1HE      PHE  29   2.635   5.116   4.045
  194    HE2  PHE  29           2HE      PHE  29   1.966   7.149   0.367
  195    HZ   PHE  29           HZ       PHE  29   2.907   7.102   2.658
  196    H    HIS  30           H        HIS  30  -2.549   2.064  -0.713
  197    HA   HIS  30           HA       HIS  30  -3.116  -0.784  -0.165
  198    HB2  HIS  30           2HB      HIS  30  -3.895   1.116  -2.310
  199    HB3  HIS  30           1HB      HIS  30  -4.137  -0.535  -2.680
  200    HD2  HIS  30           2HD      HIS  30  -6.180  -1.657  -0.786
  201    HE1  HIS  30           1HE      HIS  30  -8.012   2.144  -0.541
  202    HE2  HIS  30           2HE      HIS  30  -8.169  -0.282   0.078
  203    H    GLN  31           H        GLN  31  -2.105  -2.464  -1.256
  204    HA   GLN  31           HA       GLN  31   0.344  -1.992  -2.450
  205    HB2  GLN  31           2HB      GLN  31  -1.410  -4.442  -2.685
  206    HB3  GLN  31           1HB      GLN  31   0.188  -4.333  -3.408
  207    HG2  GLN  31           2HG      GLN  31   1.152  -3.972  -1.197
  208    HG3  GLN  31           1HG      GLN  31  -0.441  -4.083  -0.474
  209   HE21  GLN  31          1HE2      GLN  31  -1.391  -6.042  -0.322
  210   HE22  GLN  31          2HE2      GLN  31  -0.585  -7.549  -0.589
  211    H    VAL  32           H        VAL  32  -2.722  -2.633  -4.137
  212    HA   VAL  32           HA       VAL  32  -1.546  -2.426  -6.704
  213    HB   VAL  32           HB       VAL  32  -3.674  -3.596  -6.416
  214   HG11  VAL  32          1HG1      VAL  32  -5.749  -2.325  -6.002
  215   HG12  VAL  32          2HG1      VAL  32  -4.725  -0.866  -5.914
  216   HG13  VAL  32          3HG1      VAL  32  -4.552  -2.116  -4.683
  217   HG21  VAL  32          3HG2      VAL  32  -3.155  -2.657  -8.620
  218   HG22  VAL  32          1HG2      VAL  32  -3.897  -1.147  -8.088
  219   HG23  VAL  32          2HG2      VAL  32  -4.911  -2.576  -8.305
  220    H    CYS  33           H        CYS  33  -3.069  -0.145  -4.691
  221    HA   CYS  33           HA       CYS  33  -3.244   1.900  -6.724
  222    HB2  CYS  33           2HB      CYS  33  -4.348   3.333  -5.249
  223    HB3  CYS  33           1HB      CYS  33  -4.791   1.775  -4.635
  224    H    VAL  34           H        VAL  34  -0.747   1.109  -4.367
  225    HA   VAL  34           HA       VAL  34   0.712   3.386  -5.347
  226    HB   VAL  34           HB       VAL  34   0.258   2.651  -2.768
  227   HG11  VAL  34          1HG1      VAL  34   2.735   1.270  -3.270
  228   HG12  VAL  34          2HG1      VAL  34   1.177   0.569  -2.816
  229   HG13  VAL  34          3HG1      VAL  34   2.028   1.652  -1.698
  230   HG21  VAL  34          3HG2      VAL  34   1.202   4.682  -3.573
  231   HG22  VAL  34          1HG2      VAL  34   2.780   3.896  -3.738
  232   HG23  VAL  34          2HG2      VAL  34   2.004   4.073  -2.123
  233    H    GLY  35           H        GLY  35   0.296   0.485  -6.397
  234    HA2  GLY  35           2HA      GLY  35   1.444  -1.051  -7.698
  235    HA3  GLY  35           1HA      GLY  35   2.681   0.160  -7.855
  236    H    VAL  36           H        VAL  36   1.751  -1.667  -4.911
  237    HA   VAL  36           HA       VAL  36   4.455  -2.714  -4.643
  238    HB   VAL  36           HB       VAL  36   2.018  -2.810  -2.847
  239   HG11  VAL  36          1HG1      VAL  36   4.748  -4.021  -2.416
  240   HG12  VAL  36          2HG1      VAL  36   3.145  -4.757  -2.318
  241   HG13  VAL  36          3HG1      VAL  36   3.652  -3.596  -1.096
  242   HG21  VAL  36          3HG2      VAL  36   4.582  -1.244  -2.648
  243   HG22  VAL  36          1HG2      VAL  36   3.336  -1.333  -1.394
  244   HG23  VAL  36          2HG2      VAL  36   2.960  -0.656  -2.983
  245    H    SER  37           H        SER  37   4.885  -5.129  -4.549
  246    HA   SER  37           HA       SER  37   2.766  -6.558  -5.813
  247    HB2  SER  37           2HB      SER  37   4.657  -8.187  -6.166
  248    HB3  SER  37           1HB      SER  37   4.878  -6.627  -6.976
  249    HG   SER  37           HG       SER  37   6.773  -7.083  -5.961
  250    HA   PRO  38           HA       PRO  38   1.626  -8.607  -2.044
  251    HB2  PRO  38           2HB      PRO  38   1.893 -11.292  -2.781
  252    HB3  PRO  38           1HB      PRO  38   0.458 -10.290  -3.036
  253    HG2  PRO  38           2HG      PRO  38   2.709 -10.905  -4.880
  254    HG3  PRO  38           1HG      PRO  38   0.984 -10.850  -5.270
  255    HD2  PRO  38           2HD      PRO  38   2.531  -8.864  -5.979
  256    HD3  PRO  38           1HD      PRO  38   0.958  -8.488  -5.226
  257    H    GLU  39           H        GLU  39   4.585  -9.847  -3.651
  258    HA   GLU  39           HA       GLU  39   5.532 -11.225  -1.432
  259    HB2  GLU  39           2HB      GLU  39   6.782 -10.256  -3.953
  260    HB3  GLU  39           1HB      GLU  39   7.531 -11.338  -2.783
  261    HG2  GLU  39           2HG      GLU  39   5.699 -12.996  -3.261
  262    HG3  GLU  39           1HG      GLU  39   5.055 -11.859  -4.438
  263    H    MET  40           H        MET  40   5.745  -7.905  -2.528
  264    HA   MET  40           HA       MET  40   8.191  -7.367  -1.115
  265    HB2  MET  40           2HB      MET  40   7.208  -5.878  -3.110
  266    HB3  MET  40           1HB      MET  40   6.209  -5.234  -1.852
  267    HG2  MET  40           2HG      MET  40   7.892  -4.456  -0.580
  268    HG3  MET  40           1HG      MET  40   9.203  -5.228  -1.494
  269    HE1  MET  40           3HE      MET  40   7.007  -1.274  -2.392
  270    HE2  MET  40           1HE      MET  40   7.050  -2.147  -0.867
  271    HE3  MET  40           2HE      MET  40   6.109  -2.777  -2.218
  272    H    ALA  41           H        ALA  41   4.790  -7.055  -0.533
  273    HA   ALA  41           HA       ALA  41   4.774  -5.616   1.852
  274    HB1  ALA  41           1HB      ALA  41   2.863  -7.769   0.920
  275    HB2  ALA  41           2HB      ALA  41   2.735  -6.074   0.503
  276    HB3  ALA  41           3HB      ALA  41   2.514  -6.588   2.167
  277    H    GLU  42           H        GLU  42   5.367  -8.972   1.258
  278    HA   GLU  42           HA       GLU  42   5.375  -9.618   4.134
  279    HB2  GLU  42           2HB      GLU  42   5.744 -11.506   1.783
  280    HB3  GLU  42           1HB      GLU  42   5.703 -11.980   3.467
  281    HG2  GLU  42           2HG      GLU  42   3.397 -11.203   3.609
  282    HG3  GLU  42           1HG      GLU  42   3.441 -10.749   1.890
  283    H    ASN  43           H        ASN  43   7.714  -8.881   1.661
  284    HA   ASN  43           HA       ASN  43   9.774 -10.213   3.246
  285    HB2  ASN  43           2HB      ASN  43   9.596  -9.763   0.299
  286    HB3  ASN  43           1HB      ASN  43  11.094 -10.189   1.103
  287   HD21  ASN  43          1HD2      ASN  43   9.536 -11.629  -0.874
  288   HD22  ASN  43          2HD2      ASN  43   9.139 -13.154  -0.139
  289    H    GLU  44           H        GLU  44   9.000  -7.079   1.759
  290    HA   GLU  44           HA       GLU  44  11.613  -6.252   2.782
  291    HB2  GLU  44           2HB      GLU  44  10.387  -5.245   0.220
  292    HB3  GLU  44           1HB      GLU  44  11.900  -4.688   0.931
  293    HG2  GLU  44           2HG      GLU  44  12.784  -6.993   0.697
  294    HG3  GLU  44           1HG      GLU  44  11.320  -7.417  -0.185
  295    H    ASP  45           H        ASP  45  11.864  -3.947   3.089
  296    HA   ASP  45           HA       ASP  45   9.683  -2.961   4.666
  297    HB2  ASP  45           2HB      ASP  45  11.927  -2.882   5.535
  298    HB3  ASP  45           1HB      ASP  45  12.502  -1.988   4.141
  299    H    TYR  46           H        TYR  46   8.162  -1.864   3.796
  300    HA   TYR  46           HA       TYR  46   8.332  -0.633   1.234
  301    HB2  TYR  46           2HB      TYR  46   6.170  -1.540   1.747
  302    HB3  TYR  46           1HB      TYR  46   6.029  -0.557   3.218
  303    HD1  TYR  46           1HD      TYR  46   5.725  -0.562  -0.476
  304    HD2  TYR  46           2HD      TYR  46   5.388   1.775   3.041
  305    HE1  TYR  46           1HE      TYR  46   4.542   1.246  -1.741
  306    HE2  TYR  46           2HE      TYR  46   4.233   3.528   1.795
  307    HH   TYR  46           HH       TYR  46   3.035   3.058  -1.245
  308    H    ILE  47           H        ILE  47   9.422   0.943   0.902
  309    HA   ILE  47           HA       ILE  47   9.202   3.423   2.481
  310    HB   ILE  47           HB       ILE  47  10.909   2.946  -0.017
  311   HG12  ILE  47          2HG1      ILE  47  11.655   1.474   1.866
  312   HG13  ILE  47          1HG1      ILE  47  12.844   2.694   1.428
  313   HG21  ILE  47          1HG2      ILE  47  10.926   5.133   2.042
  314   HG22  ILE  47          2HG2      ILE  47  10.390   5.268   0.372
  315   HG23  ILE  47          3HG2      ILE  47  12.094   4.972   0.726
  316   HD11  ILE  47          3HD1      ILE  47  12.175   4.022   3.363
  317   HD12  ILE  47          1HD1      ILE  47  12.674   2.409   3.868
  318   HD13  ILE  47          2HD1      ILE  47  10.968   2.806   3.777
  319    H    CYS  48           H        CYS  48   8.182   5.368   1.395
  320    HA   CYS  48           HA       CYS  48   6.508   4.493  -0.841
  321    HB2  CYS  48           2HB      CYS  48   4.995   6.180  -0.147
  322    HB3  CYS  48           1HB      CYS  48   5.482   5.318   1.314
  323    H    ILE  49           H        ILE  49   5.835   6.503  -2.116
  324    HA   ILE  49           HA       ILE  49   7.777   7.550  -3.735
  325    HB   ILE  49           HB       ILE  49   5.481   7.471  -4.332
  326   HG12  ILE  49          2HG1      ILE  49   6.326  10.348  -4.217
  327   HG13  ILE  49          1HG1      ILE  49   6.949   9.195  -5.390
  328   HG21  ILE  49          1HG2      ILE  49   4.987   9.570  -2.223
  329   HG22  ILE  49          2HG2      ILE  49   4.379   7.900  -2.231
  330   HG23  ILE  49          3HG2      ILE  49   3.823   9.054  -3.437
  331   HD11  ILE  49          3HD1      ILE  49   5.202  10.543  -6.408
  332   HD12  ILE  49          1HD1      ILE  49   4.053  10.076  -5.148
  333   HD13  ILE  49          2HD1      ILE  49   4.682   8.870  -6.239
  334    H    ASN  50           H        ASN  50   6.645   8.968  -0.629
  335    HA   ASN  50           HA       ASN  50   8.176  11.381  -1.168
  336    HB2  ASN  50           2HB      ASN  50   6.475  10.698   1.241
  337    HB3  ASN  50           1HB      ASN  50   7.309  12.224   0.990
  338   HD21  ASN  50          1HD2      ASN  50   4.557  10.291   0.186
  339   HD22  ASN  50          2HD2      ASN  50   3.778  11.503  -0.768
  340    H    CYS  51           H        CYS  51   8.362   8.610   0.941
  341    HA   CYS  51           HA       CYS  51  10.545   9.774   2.428
  342    HB2  CYS  51           2HB      CYS  51   9.485   6.941   2.518
  343    HB3  CYS  51           1HB      CYS  51  10.682   7.625   3.620
  344    H    ALA  52           H        ALA  52  10.238   7.903  -0.408
  345    HA   ALA  52           HA       ALA  52  12.790   6.670  -0.441
  346    HB1  ALA  52           3HB      ALA  52  11.108   7.561  -2.791
  347    HB2  ALA  52           1HB      ALA  52  11.021   6.008  -1.948
  348    HB3  ALA  52           2HB      ALA  52  12.480   6.447  -2.851
  Start of MODEL   19
    1    HA   SER   1           HA       SER   1 -12.783   6.891   2.511
    2    HB2  SER   1           2HB      SER   1 -12.249   3.913   2.790
    3    HB3  SER   1           1HB      SER   1 -11.381   5.185   3.640
    4    HG   SER   1           HG       SER   1 -14.177   4.708   3.858
    5    H    VAL   2           H        VAL   2 -10.530   7.248   2.049
    6    HA   VAL   2           HA       VAL   2  -9.536   6.101  -0.460
    7    HB   VAL   2           HB       VAL   2  -9.291   9.009   0.411
    8   HG11  VAL   2          1HG1      VAL   2  -8.472   7.685  -2.173
    9   HG12  VAL   2          2HG1      VAL   2  -7.384   8.238  -0.905
   10   HG13  VAL   2          3HG1      VAL   2  -8.338   9.410  -1.817
   11   HG21  VAL   2          3HG2      VAL   2 -10.998   7.828  -1.780
   12   HG22  VAL   2          1HG2      VAL   2 -10.784   9.552  -1.494
   13   HG23  VAL   2          2HG2      VAL   2 -11.585   8.543  -0.286
   14    H    CYS   3           H        CYS   3  -7.298   5.561  -0.313
   15    HA   CYS   3           HA       CYS   3  -6.212   5.953   2.370
   16    HB2  CYS   3           2HB      CYS   3  -5.050   3.971   2.141
   17    HB3  CYS   3           1HB      CYS   3  -6.351   3.590   1.048
   18    H    ALA   4           H        ALA   4  -3.547   5.754   1.875
   19    HA   ALA   4           HA       ALA   4  -3.001   8.338   0.604
   20    HB1  ALA   4           1HB      ALA   4  -2.006   7.935   2.833
   21    HB2  ALA   4           2HB      ALA   4  -0.748   8.095   1.611
   22    HB3  ALA   4           3HB      ALA   4  -1.187   6.505   2.203
   23    H    ALA   5           H        ALA   5  -2.589   8.250  -1.531
   24    HA   ALA   5           HA       ALA   5  -0.271   6.977  -2.551
   25    HB1  ALA   5           1HB      ALA   5  -2.939   5.856  -3.505
   26    HB2  ALA   5           2HB      ALA   5  -1.701   4.955  -2.654
   27    HB3  ALA   5           3HB      ALA   5  -1.395   5.528  -4.280
   28    H    GLN   6           H        GLN   6   0.369   8.135  -4.421
   29    HA   GLN   6           HA       GLN   6  -0.702  10.442  -5.250
   30    HB2  GLN   6           2HB      GLN   6   0.631   8.376  -7.052
   31    HB3  GLN   6           1HB      GLN   6   0.451  10.079  -7.449
   32    HG2  GLN   6           2HG      GLN   6   1.862  10.599  -5.519
   33    HG3  GLN   6           1HG      GLN   6   2.059   8.864  -5.221
   34   HE21  GLN   6          1HE2      GLN   6   3.244   7.598  -6.711
   35   HE22  GLN   6          2HE2      GLN   6   4.311   8.350  -7.842
   36    H    ASN   7           H        ASN   7  -1.537   7.373  -6.442
   37    HA   ASN   7           HA       ASN   7  -4.168   8.423  -7.245
   38    HB2  ASN   7           2HB      ASN   7  -2.962   8.204  -9.365
   39    HB3  ASN   7           1HB      ASN   7  -2.609   6.515  -9.006
   40   HD21  ASN   7          1HD2      ASN   7  -3.641   5.885 -10.910
   41   HD22  ASN   7          2HD2      ASN   7  -5.350   5.880 -11.109
   42    H    CYS   8           H        CYS   8  -5.442   7.523  -5.732
   43    HA   CYS   8           HA       CYS   8  -4.985   4.746  -5.194
   44    HB2  CYS   8           2HB      CYS   8  -5.078   6.112  -3.172
   45    HB3  CYS   8           1HB      CYS   8  -6.655   6.718  -3.648
   46    H    GLN   9           H        GLN   9  -6.073   3.345  -6.152
   47    HA   GLN   9           HA       GLN   9  -8.327   3.861  -7.832
   48    HB2  GLN   9           2HB      GLN   9  -7.112   1.255  -6.942
   49    HB3  GLN   9           1HB      GLN   9  -8.190   1.462  -8.312
   50    HG2  GLN   9           2HG      GLN   9  -6.501   2.821  -9.459
   51    HG3  GLN   9           1HG      GLN   9  -5.450   2.689  -8.043
   52   HE21  GLN   9          1HE2      GLN   9  -3.815   1.763  -9.160
   53   HE22  GLN   9          2HE2      GLN   9  -3.901   0.149  -9.769
   54    H    ARG  10           H        ARG  10  -8.096   3.421  -4.580
   55    HA   ARG  10           HA       ARG  10  -9.441   2.857  -2.818
   56    HB2  ARG  10           2HB      ARG  10 -11.617   3.441  -4.815
   57    HB3  ARG  10           1HB      ARG  10 -11.839   3.356  -3.075
   58    HG2  ARG  10           2HG      ARG  10 -10.294   5.286  -2.820
   59    HG3  ARG  10           1HG      ARG  10 -10.152   5.370  -4.570
   60    HD2  ARG  10           2HD      ARG  10 -11.765   6.999  -3.862
   61    HD3  ARG  10           1HD      ARG  10 -12.609   5.707  -4.701
   62    HE   ARG  10           HE       ARG  10 -12.468   5.364  -1.848
   63   HH11  ARG  10          1HH1      ARG  10 -14.403   6.756  -4.488
   64   HH12  ARG  10          2HH1      ARG  10 -15.817   6.909  -3.561
   65   HH21  ARG  10          1HH2      ARG  10 -14.431   5.571  -0.583
   66   HH22  ARG  10          2HH2      ARG  10 -15.849   6.195  -1.283
   67    HA   PRO  11           HA       PRO  11 -10.844  -1.350  -4.829
   68    HB2  PRO  11           2HB      PRO  11  -8.376  -2.624  -3.883
   69    HB3  PRO  11           1HB      PRO  11  -9.102  -2.665  -5.499
   70    HG2  PRO  11           2HG      PRO  11  -6.835  -1.317  -4.991
   71    HG3  PRO  11           1HG      PRO  11  -8.014  -0.753  -6.187
   72    HD2  PRO  11           2HD      PRO  11  -7.563   0.178  -3.359
   73    HD3  PRO  11           1HD      PRO  11  -7.859   1.133  -4.821
   74    H    CYS  12           H        CYS  12 -12.010  -2.706  -3.572
   75    HA   CYS  12           HA       CYS  12 -11.177  -3.229  -0.838
   76    HB2  CYS  12           2HB      CYS  12 -12.728  -1.348  -0.711
   77    HB3  CYS  12           1HB      CYS  12 -13.907  -2.250  -1.671
   78    HG   CYS  12           HG       CYS  12 -14.632  -3.954   0.258
   79    H    LYS  13           H        LYS  13 -11.096  -5.339  -0.609
   80    HA   LYS  13           HA       LYS  13 -13.269  -7.024  -1.506
   81    HB2  LYS  13           2HB      LYS  13 -10.348  -7.622  -2.091
   82    HB3  LYS  13           1HB      LYS  13 -11.659  -8.765  -2.225
   83    HG2  LYS  13           2HG      LYS  13 -12.646  -7.345  -3.977
   84    HG3  LYS  13           1HG      LYS  13 -11.201  -6.317  -3.914
   85    HD2  LYS  13           2HD      LYS  13  -9.788  -8.184  -4.489
   86    HD3  LYS  13           1HD      LYS  13 -11.140  -9.302  -4.429
   87    HE2  LYS  13           2HE      LYS  13 -12.162  -8.029  -6.324
   88    HE3  LYS  13           1HE      LYS  13 -10.683  -7.073  -6.419
   89    HZ1  LYS  13           3HZ      LYS  13  -9.437  -9.136  -6.883
   90    HZ2  LYS  13           1HZ      LYS  13 -10.672  -8.914  -8.010
   91    HZ3  LYS  13           2HZ      LYS  13 -10.888 -10.010  -6.789
   92    H    ASP  14           H        ASP  14 -12.856  -9.244  -0.473
   93    HA   ASP  14           HA       ASP  14 -12.343  -8.882   2.284
   94    HB2  ASP  14           2HB      ASP  14 -12.700 -11.383   0.649
   95    HB3  ASP  14           1HB      ASP  14 -12.451 -11.400   2.384
   96    H    LYS  15           H        LYS  15 -10.665 -11.076  -0.002
   97    HA   LYS  15           HA       LYS  15  -8.408 -11.100   1.738
   98    HB2  LYS  15           2HB      LYS  15  -9.439 -13.051   0.415
   99    HB3  LYS  15           1HB      LYS  15  -8.659 -12.364  -0.991
  100    HG2  LYS  15           2HG      LYS  15  -7.270 -14.132  -0.162
  101    HG3  LYS  15           1HG      LYS  15  -6.458 -12.626   0.266
  102    HD2  LYS  15           2HD      LYS  15  -7.292 -12.764   2.524
  103    HD3  LYS  15           1HD      LYS  15  -8.287 -14.149   2.119
  104    HE2  LYS  15           2HE      LYS  15  -6.247 -15.442   1.622
  105    HE3  LYS  15           1HE      LYS  15  -5.275 -14.037   2.086
  106    HZ1  LYS  15           3HZ      LYS  15  -6.208 -14.174   4.307
  107    HZ2  LYS  15           1HZ      LYS  15  -5.509 -15.660   3.919
  108    HZ3  LYS  15           2HZ      LYS  15  -7.170 -15.463   3.869
  109    H    VAL  16           H        VAL  16  -7.518  -8.977   1.556
  110    HA   VAL  16           HA       VAL  16  -5.705  -8.665  -0.565
  111    HB   VAL  16           HB       VAL  16  -7.617  -7.720  -1.792
  112   HG11  VAL  16          1HG1      VAL  16  -8.677  -5.633  -1.056
  113   HG12  VAL  16          2HG1      VAL  16  -7.789  -5.809   0.483
  114   HG13  VAL  16          3HG1      VAL  16  -9.013  -7.007   0.013
  115   HG21  VAL  16          3HG2      VAL  16  -5.690  -5.594  -0.902
  116   HG22  VAL  16          1HG2      VAL  16  -6.657  -5.533  -2.368
  117   HG23  VAL  16          2HG2      VAL  16  -5.406  -6.770  -2.183
  118    H    ASP  17           H        ASP  17  -4.170  -8.452   0.643
  119    HA   ASP  17           HA       ASP  17  -3.932  -7.035   3.065
  120    HB2  ASP  17           2HB      ASP  17  -1.744  -8.047   1.245
  121    HB3  ASP  17           1HB      ASP  17  -1.503  -7.500   2.907
  122    H    TRP  18           H        TRP  18  -2.846  -5.222   3.648
  123    HA   TRP  18           HA       TRP  18  -2.553  -3.074   1.646
  124    HB2  TRP  18           2HB      TRP  18  -3.449  -2.970   4.534
  125    HB3  TRP  18           1HB      TRP  18  -3.130  -1.555   3.538
  126    HD1  TRP  18           HD       TRP  18  -5.327  -4.689   2.844
  127    HE1  TRP  18           1HE      TRP  18  -7.642  -3.916   2.183
  128    HE3  TRP  18           3HE      TRP  18  -4.577   0.315   3.355
  129    HZ2  TRP  18           2HZ      TRP  18  -9.067  -1.396   1.959
  130    HZ3  TRP  18           3HZ      TRP  18  -6.430   1.848   2.920
  131    HH2  TRP  18           HH       TRP  18  -8.639   1.020   2.235
  132    H    VAL  19           H        VAL  19  -0.798  -1.292   2.369
  133    HA   VAL  19           HA       VAL  19   1.170  -2.531   4.051
  134    HB   VAL  19           HB       VAL  19   2.933  -1.549   2.558
  135   HG11  VAL  19          1HG1      VAL  19   1.158  -3.602   1.254
  136   HG12  VAL  19          2HG1      VAL  19   2.527  -3.905   2.334
  137   HG13  VAL  19          3HG1      VAL  19   2.791  -3.182   0.751
  138   HG21  VAL  19          3HG2      VAL  19   0.652  -1.118   0.621
  139   HG22  VAL  19          1HG2      VAL  19   2.357  -0.904   0.257
  140   HG23  VAL  19          2HG2      VAL  19   1.565   0.151   1.429
  141    H    GLN  20           H        GLN  20   2.039  -1.195   5.438
  142    HA   GLN  20           HA       GLN  20   1.273   1.656   5.399
  143    HB2  GLN  20           2HB      GLN  20   0.698   0.447   7.479
  144    HB3  GLN  20           1HB      GLN  20   2.384  -0.035   7.669
  145    HG2  GLN  20           2HG      GLN  20   3.015   2.342   7.898
  146    HG3  GLN  20           1HG      GLN  20   1.335   2.810   7.767
  147   HE21  GLN  20          1HE2      GLN  20   3.243   3.233   9.898
  148   HE22  GLN  20          2HE2      GLN  20   2.588   2.597  11.328
  149    H    CYS  21           H        CYS  21   2.881   3.209   5.210
  150    HA   CYS  21           HA       CYS  21   5.522   2.110   4.736
  151    HB2  CYS  21           2HB      CYS  21   6.190   4.362   3.829
  152    HB3  CYS  21           1HB      CYS  21   4.688   3.836   3.126
  153    H    ASP  22           H        ASP  22   6.662   1.707   6.333
  154    HA   ASP  22           HA       ASP  22   6.342   3.107   8.888
  155    HB2  ASP  22           2HB      ASP  22   7.947   0.663   8.131
  156    HB3  ASP  22           1HB      ASP  22   8.145   1.441   9.690
  157    H    GLY  23           H        GLY  23   7.643   4.319   6.500
  158    HA2  GLY  23           2HA      GLY  23  10.418   4.711   7.399
  159    HA3  GLY  23           1HA      GLY  23   9.744   5.190   5.853
  160    H    GLY  24           H        GLY  24   7.460   6.194   8.034
  161    HA2  GLY  24           2HA      GLY  24   8.284   8.217   9.520
  162    HA3  GLY  24           1HA      GLY  24   8.606   8.879   7.931
  163    H    CYS  25           H        CYS  25   6.056   7.650   6.799
  164    HA   CYS  25           HA       CYS  25   4.423   9.937   7.666
  165    HB2  CYS  25           2HB      CYS  25   3.520   7.891   5.619
  166    HB3  CYS  25           1HB      CYS  25   3.019   9.565   5.802
  167    H    ASP  26           H        ASP  26   4.570   6.559   8.045
  168    HA   ASP  26           HA       ASP  26   3.358   4.923   9.012
  169    HB2  ASP  26           2HB      ASP  26   2.288   7.202  10.735
  170    HB3  ASP  26           1HB      ASP  26   2.071   5.496  11.056
  171    H    GLU  27           H        GLU  27   2.148   6.373   6.706
  172    HA   GLU  27           HA       GLU  27  -0.663   6.000   7.248
  173    HB2  GLU  27           2HB      GLU  27   0.745   7.275   4.910
  174    HB3  GLU  27           1HB      GLU  27  -0.997   7.112   4.969
  175    HG2  GLU  27           2HG      GLU  27  -0.898   8.382   7.160
  176    HG3  GLU  27           1HG      GLU  27   0.791   8.673   6.801
  177    H    TRP  28           H        TRP  28  -1.970   5.072   5.405
  178    HA   TRP  28           HA       TRP  28  -0.787   2.444   4.758
  179    HB2  TRP  28           2HB      TRP  28  -3.670   3.094   5.403
  180    HB3  TRP  28           1HB      TRP  28  -3.133   1.555   4.772
  181    HD1  TRP  28           HD       TRP  28  -2.669   3.780   7.893
  182    HE1  TRP  28           1HE      TRP  28  -2.025   2.242   9.867
  183    HE3  TRP  28           3HE      TRP  28  -2.245  -0.650   5.390
  184    HZ2  TRP  28           2HZ      TRP  28  -1.427  -0.495  10.298
  185    HZ3  TRP  28           3HZ      TRP  28  -1.648  -2.673   6.640
  186    HH2  TRP  28           HH       TRP  28  -1.250  -2.591   9.065
  187    H    PHE  29           H        PHE  29  -0.701   1.716   2.851
  188    HA   PHE  29           HA       PHE  29  -2.009   3.181   0.626
  189    HB2  PHE  29           2HB      PHE  29   0.666   1.730   0.571
  190    HB3  PHE  29           1HB      PHE  29  -0.017   2.744  -0.681
  191    HD1  PHE  29           1HD      PHE  29   1.101   2.867   2.845
  192    HD2  PHE  29           2HD      PHE  29   0.730   4.995  -0.815
  193    HE1  PHE  29           1HE      PHE  29   2.338   4.737   3.800
  194    HE2  PHE  29           2HE      PHE  29   1.972   6.866   0.145
  195    HZ   PHE  29           HZ       PHE  29   2.773   6.718   2.502
  196    H    HIS  30           H        HIS  30  -2.648   1.874  -1.109
  197    HA   HIS  30           HA       HIS  30  -3.100  -1.015  -0.614
  198    HB2  HIS  30           2HB      HIS  30  -3.988   0.873  -2.719
  199    HB3  HIS  30           1HB      HIS  30  -4.223  -0.803  -3.064
  200    HD2  HIS  30           2HD      HIS  30  -6.174  -1.923  -1.112
  201    HE1  HIS  30           1HE      HIS  30  -8.003   1.897  -0.762
  202    HE2  HIS  30           2HE      HIS  30  -8.369  -0.608  -0.752
  203    H    GLN  31           H        GLN  31  -2.037  -2.546  -1.644
  204    HA   GLN  31           HA       GLN  31   0.429  -2.046  -2.784
  205    HB2  GLN  31           2HB      GLN  31  -1.271  -4.511  -2.977
  206    HB3  GLN  31           1HB      GLN  31   0.364  -4.432  -3.629
  207    HG2  GLN  31           2HG      GLN  31   1.253  -3.946  -1.460
  208    HG3  GLN  31           1HG      GLN  31  -0.357  -3.951  -0.752
  209   HE21  GLN  31          1HE2      GLN  31  -1.394  -5.913  -0.435
  210   HE22  GLN  31          2HE2      GLN  31  -0.570  -7.420  -0.571
  211    H    VAL  32           H        VAL  32  -2.605  -2.696  -4.532
  212    HA   VAL  32           HA       VAL  32  -1.325  -2.500  -7.061
  213    HB   VAL  32           HB       VAL  32  -3.447  -3.715  -6.821
  214   HG11  VAL  32          1HG1      VAL  32  -4.517  -0.997  -6.327
  215   HG12  VAL  32          2HG1      VAL  32  -4.450  -2.297  -5.130
  216   HG13  VAL  32          3HG1      VAL  32  -5.550  -2.419  -6.540
  217   HG21  VAL  32          3HG2      VAL  32  -4.645  -2.719  -8.756
  218   HG22  VAL  32          1HG2      VAL  32  -2.888  -2.816  -9.011
  219   HG23  VAL  32          2HG2      VAL  32  -3.630  -1.287  -8.523
  220    H    CYS  33           H        CYS  33  -2.960  -0.278  -5.058
  221    HA   CYS  33           HA       CYS  33  -3.162   1.813  -7.042
  222    HB2  CYS  33           2HB      CYS  33  -4.359   3.135  -5.536
  223    HB3  CYS  33           1HB      CYS  33  -4.738   1.545  -5.009
  224    H    VAL  34           H        VAL  34  -0.744   1.155  -4.457
  225    HA   VAL  34           HA       VAL  34   0.611   3.561  -5.292
  226    HB   VAL  34           HB       VAL  34   0.140   2.726  -2.787
  227   HG11  VAL  34          1HG1      VAL  34   2.539   1.221  -3.369
  228   HG12  VAL  34          2HG1      VAL  34   0.959   0.561  -2.981
  229   HG13  VAL  34          3HG1      VAL  34   1.859   1.520  -1.776
  230   HG21  VAL  34          3HG2      VAL  34   1.223   4.735  -3.368
  231   HG22  VAL  34          1HG2      VAL  34   2.718   3.864  -3.730
  232   HG23  VAL  34          2HG2      VAL  34   2.091   3.916  -2.061
  233    H    GLY  35           H        GLY  35   0.374   0.738  -6.498
  234    HA2  GLY  35           2HA      GLY  35   1.712  -0.837  -7.635
  235    HA3  GLY  35           1HA      GLY  35   2.831   0.507  -7.786
  236    H    VAL  36           H        VAL  36   1.846  -2.101  -5.455
  237    HA   VAL  36           HA       VAL  36   4.643  -2.596  -4.831
  238    HB   VAL  36           HB       VAL  36   2.139  -2.805  -3.129
  239   HG11  VAL  36          1HG1      VAL  36   4.935  -3.803  -2.431
  240   HG12  VAL  36          2HG1      VAL  36   3.484  -4.736  -2.699
  241   HG13  VAL  36          3HG1      VAL  36   3.567  -3.666  -1.304
  242   HG21  VAL  36          3HG2      VAL  36   3.303  -1.284  -1.578
  243   HG22  VAL  36          1HG2      VAL  36   2.957  -0.569  -3.139
  244   HG23  VAL  36          2HG2      VAL  36   4.602  -1.095  -2.761
  245    H    SER  37           H        SER  37   5.103  -5.019  -4.902
  246    HA   SER  37           HA       SER  37   2.998  -6.493  -6.110
  247    HB2  SER  37           2HB      SER  37   4.905  -8.100  -6.337
  248    HB3  SER  37           1HB      SER  37   5.169  -6.565  -7.154
  249    HG   SER  37           HG       SER  37   6.985  -6.678  -6.073
  250    HA   PRO  38           HA       PRO  38   1.556  -8.305  -2.387
  251    HB2  PRO  38           2HB      PRO  38   1.636 -11.015  -3.050
  252    HB3  PRO  38           1HB      PRO  38   0.310  -9.907  -3.417
  253    HG2  PRO  38           2HG      PRO  38   2.583 -10.778  -5.117
  254    HG3  PRO  38           1HG      PRO  38   0.869 -10.532  -5.575
  255    HD2  PRO  38           2HD      PRO  38   2.716  -8.722  -6.252
  256    HD3  PRO  38           1HD      PRO  38   1.129  -8.205  -5.650
  257    H    GLU  39           H        GLU  39   4.436  -9.941  -3.711
  258    HA   GLU  39           HA       GLU  39   5.115 -11.109  -1.282
  259    HB2  GLU  39           2HB      GLU  39   6.557 -10.735  -3.859
  260    HB3  GLU  39           1HB      GLU  39   7.089 -11.711  -2.505
  261    HG2  GLU  39           2HG      GLU  39   5.009 -13.037  -2.646
  262    HG3  GLU  39           1HG      GLU  39   4.528 -12.054  -4.029
  263    H    MET  40           H        MET  40   5.765  -8.045  -2.683
  264    HA   MET  40           HA       MET  40   8.184  -7.535  -1.250
  265    HB2  MET  40           2HB      MET  40   7.168  -6.053  -3.332
  266    HB3  MET  40           1HB      MET  40   6.248  -5.413  -2.064
  267    HG2  MET  40           2HG      MET  40   7.907  -4.455  -0.911
  268    HG3  MET  40           1HG      MET  40   9.168  -5.428  -1.673
  269    HE1  MET  40           3HE      MET  40   6.343  -3.521  -3.694
  270    HE2  MET  40           1HE      MET  40   7.064  -1.925  -3.853
  271    HE3  MET  40           2HE      MET  40   6.601  -2.526  -2.251
  272    H    ALA  41           H        ALA  41   4.775  -7.083  -0.687
  273    HA   ALA  41           HA       ALA  41   4.795  -5.567   1.635
  274    HB1  ALA  41           1HB      ALA  41   2.509  -6.459   1.960
  275    HB2  ALA  41           2HB      ALA  41   2.834  -7.704   0.757
  276    HB3  ALA  41           3HB      ALA  41   2.781  -6.039   0.278
  277    H    GLU  42           H        GLU  42   5.104  -9.021   1.246
  278    HA   GLU  42           HA       GLU  42   5.125  -9.452   4.149
  279    HB2  GLU  42           2HB      GLU  42   5.435 -11.487   1.959
  280    HB3  GLU  42           1HB      GLU  42   5.427 -11.861   3.669
  281    HG2  GLU  42           2HG      GLU  42   3.134 -10.950   3.822
  282    HG3  GLU  42           1HG      GLU  42   3.169 -10.656   2.085
  283    H    ASN  43           H        ASN  43   7.577  -9.031   1.749
  284    HA   ASN  43           HA       ASN  43   9.466 -10.312   3.576
  285    HB2  ASN  43           2HB      ASN  43   9.505 -10.077   0.607
  286    HB3  ASN  43           1HB      ASN  43  10.897 -10.602   1.551
  287   HD21  ASN  43          1HD2      ASN  43   9.334 -12.059  -0.464
  288   HD22  ASN  43          2HD2      ASN  43   8.725 -13.474   0.341
  289    H    GLU  44           H        GLU  44   8.821  -7.366   1.773
  290    HA   GLU  44           HA       GLU  44  11.490  -6.466   2.547
  291    HB2  GLU  44           2HB      GLU  44   9.959  -5.712   0.059
  292    HB3  GLU  44           1HB      GLU  44  11.553  -5.123   0.504
  293    HG2  GLU  44           2HG      GLU  44  12.487  -7.332   0.323
  294    HG3  GLU  44           1HG      GLU  44  10.914  -8.027  -0.020
  295    H    ASP  45           H        ASP  45  11.676  -4.161   2.900
  296    HA   ASP  45           HA       ASP  45   9.477  -3.218   4.495
  297    HB2  ASP  45           2HB      ASP  45  11.822  -3.130   5.257
  298    HB3  ASP  45           1HB      ASP  45  12.208  -2.031   3.947
  299    H    TYR  46           H        TYR  46   7.921  -2.052   3.612
  300    HA   TYR  46           HA       TYR  46   8.430  -0.728   1.123
  301    HB2  TYR  46           2HB      TYR  46   6.279  -1.898   1.276
  302    HB3  TYR  46           1HB      TYR  46   5.778  -0.794   2.562
  303    HD1  TYR  46           1HD      TYR  46   7.206  -0.551  -0.874
  304    HD2  TYR  46           2HD      TYR  46   4.387   0.940   1.924
  305    HE1  TYR  46           1HE      TYR  46   6.428   1.068  -2.544
  306    HE2  TYR  46           2HE      TYR  46   3.577   2.594   0.202
  307    HH   TYR  46           HH       TYR  46   4.437   2.383  -3.040
  308    H    ILE  47           H        ILE  47   9.422   0.815   1.146
  309    HA   ILE  47           HA       ILE  47   8.893   3.193   2.812
  310    HB   ILE  47           HB       ILE  47  11.058   2.783   0.708
  311   HG12  ILE  47          2HG1      ILE  47  11.382   1.424   2.741
  312   HG13  ILE  47          1HG1      ILE  47  12.627   2.665   2.606
  313   HG21  ILE  47          1HG2      ILE  47  10.459   5.125   0.860
  314   HG22  ILE  47          2HG2      ILE  47  12.044   4.879   1.650
  315   HG23  ILE  47          3HG2      ILE  47  10.557   5.026   2.619
  316   HD11  ILE  47          3HD1      ILE  47  10.220   2.717   4.430
  317   HD12  ILE  47          1HD1      ILE  47  11.398   4.025   4.233
  318   HD13  ILE  47          2HD1      ILE  47  11.912   2.475   4.880
  319    H    CYS  48           H        CYS  48   7.871   5.209   1.849
  320    HA   CYS  48           HA       CYS  48   6.615   4.521  -0.674
  321    HB2  CYS  48           2HB      CYS  48   4.863   5.963  -0.054
  322    HB3  CYS  48           1HB      CYS  48   5.280   5.176   1.456
  323    H    ILE  49           H        ILE  49   6.073   6.654  -1.818
  324    HA   ILE  49           HA       ILE  49   8.345   7.788  -2.934
  325    HB   ILE  49           HB       ILE  49   6.249   7.749  -4.092
  326   HG12  ILE  49          2HG1      ILE  49   7.005  10.596  -3.586
  327   HG13  ILE  49          1HG1      ILE  49   7.918   9.480  -4.630
  328   HG21  ILE  49          1HG2      ILE  49   4.728   8.044  -2.256
  329   HG22  ILE  49          2HG2      ILE  49   4.387   9.222  -3.533
  330   HG23  ILE  49          3HG2      ILE  49   5.247   9.718  -2.065
  331   HD11  ILE  49          3HD1      ILE  49   6.019   9.242  -6.052
  332   HD12  ILE  49          1HD1      ILE  49   6.416  10.956  -5.934
  333   HD13  ILE  49          2HD1      ILE  49   5.049  10.273  -5.022
  334    H    ASN  50           H        ASN  50   6.340   9.060  -0.289
  335    HA   ASN  50           HA       ASN  50   7.784  11.564  -0.103
  336    HB2  ASN  50           2HB      ASN  50   5.823  10.304   1.841
  337    HB3  ASN  50           1HB      ASN  50   6.487  11.929   1.977
  338   HD21  ASN  50          1HD2      ASN  50   5.698  13.547   0.660
  339   HD22  ASN  50          2HD2      ASN  50   4.285  13.341  -0.299
  340    H    CYS  51           H        CYS  51   7.905   8.472   1.439
  341    HA   CYS  51           HA       CYS  51   9.705   9.246   3.536
  342    HB2  CYS  51           2HB      CYS  51   8.936   6.514   2.488
  343    HB3  CYS  51           1HB      CYS  51  10.145   6.745   3.726
  344    H    ALA  52           H        ALA  52  10.070   8.324   0.291
  345    HA   ALA  52           HA       ALA  52  12.874   7.571   0.554
  346    HB1  ALA  52           3HB      ALA  52  12.849   7.168  -1.834
  347    HB2  ALA  52           1HB      ALA  52  11.246   7.921  -1.938
  348    HB3  ALA  52           2HB      ALA  52  11.455   6.411  -1.040
  Start of MODEL   20
    1    HA   SER   1           HA       SER   1 -12.766   7.764   2.458
    2    HB2  SER   1           2HB      SER   1 -12.386   4.855   3.263
    3    HB3  SER   1           1HB      SER   1 -11.563   6.249   3.960
    4    HG   SER   1           HG       SER   1 -14.354   6.209   3.933
    5    H    VAL   2           H        VAL   2 -10.428   7.842   2.037
    6    HA   VAL   2           HA       VAL   2  -9.627   6.274  -0.292
    7    HB   VAL   2           HB       VAL   2  -9.003   9.199   0.235
    8   HG11  VAL   2          1HG1      VAL   2  -8.077   9.210  -2.059
    9   HG12  VAL   2          2HG1      VAL   2  -8.396   7.478  -2.158
   10   HG13  VAL   2          3HG1      VAL   2  -7.227   8.091  -0.983
   11   HG21  VAL   2          3HG2      VAL   2 -10.442   9.693  -1.735
   12   HG22  VAL   2          1HG2      VAL   2 -11.341   8.974  -0.395
   13   HG23  VAL   2          2HG2      VAL   2 -10.895   7.985  -1.781
   14    H    CYS   3           H        CYS   3  -7.399   5.553  -0.185
   15    HA   CYS   3           HA       CYS   3  -6.219   5.833   2.462
   16    HB2  CYS   3           2HB      CYS   3  -5.144   3.823   2.072
   17    HB3  CYS   3           1HB      CYS   3  -6.473   3.625   0.927
   18    H    ALA   4           H        ALA   4  -3.513   5.627   1.998
   19    HA   ALA   4           HA       ALA   4  -2.855   8.191   0.749
   20    HB1  ALA   4           1HB      ALA   4  -0.600   7.759   1.727
   21    HB2  ALA   4           2HB      ALA   4  -1.155   6.211   2.328
   22    HB3  ALA   4           3HB      ALA   4  -1.872   7.701   2.947
   23    H    ALA   5           H        ALA   5  -2.514   8.081  -1.397
   24    HA   ALA   5           HA       ALA   5  -0.236   6.758  -2.411
   25    HB1  ALA   5           1HB      ALA   5  -1.792   4.776  -2.541
   26    HB2  ALA   5           2HB      ALA   5  -1.272   5.319  -4.125
   27    HB3  ALA   5           3HB      ALA   5  -2.870   5.746  -3.541
   28    H    GLN   6           H        GLN   6   0.470   7.864  -4.307
   29    HA   GLN   6           HA       GLN   6  -0.380  10.236  -5.128
   30    HB2  GLN   6           2HB      GLN   6   0.570   7.991  -6.920
   31    HB3  GLN   6           1HB      GLN   6   0.643   9.706  -7.295
   32    HG2  GLN   6           2HG      GLN   6   2.285  10.022  -5.573
   33    HG3  GLN   6           1HG      GLN   6   2.092   8.356  -5.029
   34   HE21  GLN   6          1HE2      GLN   6   2.958   6.653  -6.281
   35   HE22  GLN   6          2HE2      GLN   6   4.077   6.956  -7.549
   36    H    ASN   7           H        ASN   7  -1.413   7.248  -6.362
   37    HA   ASN   7           HA       ASN   7  -4.035   8.398  -7.084
   38    HB2  ASN   7           2HB      ASN   7  -2.814   8.255  -9.225
   39    HB3  ASN   7           1HB      ASN   7  -2.563   6.534  -8.987
   40   HD21  ASN   7          1HD2      ASN   7  -4.897   9.027  -9.734
   41   HD22  ASN   7          2HD2      ASN   7  -6.106   7.975 -10.360
   42    H    CYS   8           H        CYS   8  -5.372   7.491  -5.727
   43    HA   CYS   8           HA       CYS   8  -4.951   4.715  -5.256
   44    HB2  CYS   8           2HB      CYS   8  -5.091   5.999  -3.235
   45    HB3  CYS   8           1HB      CYS   8  -6.675   6.634  -3.711
   46    H    GLN   9           H        GLN   9  -6.027   3.331  -6.333
   47    HA   GLN   9           HA       GLN   9  -8.279   3.806  -7.981
   48    HB2  GLN   9           2HB      GLN   9  -7.168   1.215  -6.934
   49    HB3  GLN   9           1HB      GLN   9  -8.247   1.380  -8.297
   50    HG2  GLN   9           2HG      GLN   9  -6.484   2.625  -9.521
   51    HG3  GLN   9           1HG      GLN   9  -5.431   2.434  -8.126
   52   HE21  GLN   9          1HE2      GLN   9  -3.886   1.274  -9.294
   53   HE22  GLN   9          2HE2      GLN   9  -4.158  -0.336  -9.826
   54    H    ARG  10           H        ARG  10  -8.048   3.504  -4.715
   55    HA   ARG  10           HA       ARG  10  -9.343   2.988  -2.924
   56    HB2  ARG  10           2HB      ARG  10 -10.481   4.927  -4.014
   57    HB3  ARG  10           1HB      ARG  10 -11.546   3.785  -4.824
   58    HG2  ARG  10           2HG      ARG  10 -12.442   3.092  -2.662
   59    HG3  ARG  10           1HG      ARG  10 -11.340   4.211  -1.842
   60    HD2  ARG  10           2HD      ARG  10 -12.367   6.067  -3.041
   61    HD3  ARG  10           1HD      ARG  10 -13.505   4.931  -3.799
   62    HE   ARG  10           HE       ARG  10 -13.339   5.101  -0.898
   63   HH11  ARG  10          1HH1      ARG  10 -15.166   5.791  -3.858
   64   HH12  ARG  10          2HH1      ARG  10 -16.655   6.042  -3.058
   65   HH21  ARG  10          1HH2      ARG  10 -15.416   5.520   0.217
   66   HH22  ARG  10          2HH2      ARG  10 -16.780   5.910  -0.734
   67    HA   PRO  11           HA       PRO  11 -11.145  -1.126  -4.745
   68    HB2  PRO  11           2HB      PRO  11  -8.716  -2.545  -4.082
   69    HB3  PRO  11           1HB      PRO  11  -9.485  -2.426  -5.674
   70    HG2  PRO  11           2HG      PRO  11  -7.121  -1.294  -5.099
   71    HG3  PRO  11           1HG      PRO  11  -8.277  -0.547  -6.236
   72    HD2  PRO  11           2HD      PRO  11  -7.746   0.087  -3.358
   73    HD3  PRO  11           1HD      PRO  11  -7.938   1.195  -4.745
   74    H    CYS  12           H        CYS  12 -12.127  -2.630  -3.470
   75    HA   CYS  12           HA       CYS  12 -11.198  -3.035  -0.716
   76    HB2  CYS  12           2HB      CYS  12 -13.037  -1.385  -0.697
   77    HB3  CYS  12           1HB      CYS  12 -14.031  -2.483  -1.643
   78    HG   CYS  12           HG       CYS  12 -14.991  -3.814   0.322
   79    H    LYS  13           H        LYS  13 -10.741  -5.156  -0.557
   80    HA   LYS  13           HA       LYS  13 -12.750  -7.105  -1.304
   81    HB2  LYS  13           2HB      LYS  13  -9.849  -7.341  -2.162
   82    HB3  LYS  13           1HB      LYS  13 -11.022  -8.644  -2.193
   83    HG2  LYS  13           2HG      LYS  13 -12.341  -7.341  -3.800
   84    HG3  LYS  13           1HG      LYS  13 -11.028  -6.164  -3.877
   85    HD2  LYS  13           2HD      LYS  13  -9.461  -7.868  -4.587
   86    HD3  LYS  13           1HD      LYS  13 -10.709  -9.093  -4.461
   87    HE2  LYS  13           2HE      LYS  13 -11.991  -7.966  -6.220
   88    HE3  LYS  13           1HE      LYS  13 -10.714  -6.753  -6.379
   89    HZ1  LYS  13           3HZ      LYS  13  -9.176  -8.590  -6.972
   90    HZ2  LYS  13           1HZ      LYS  13 -10.476  -8.480  -8.055
   91    HZ3  LYS  13           2HZ      LYS  13 -10.460  -9.667  -6.893
   92    H    ASP  14           H        ASP  14 -12.556  -9.005  -0.039
   93    HA   ASP  14           HA       ASP  14 -11.496  -8.730   2.570
   94    HB2  ASP  14           2HB      ASP  14 -12.344 -11.223   1.079
   95    HB3  ASP  14           1HB      ASP  14 -12.128 -11.098   2.810
   96    H    LYS  15           H        LYS  15  -9.995  -9.423  -0.329
   97    HA   LYS  15           HA       LYS  15  -7.833 -10.929   0.962
   98    HB2  LYS  15           2HB      LYS  15  -9.003 -11.487  -1.781
   99    HB3  LYS  15           1HB      LYS  15  -7.540 -12.210  -1.144
  100    HG2  LYS  15           2HG      LYS  15  -8.806 -13.237   0.665
  101    HG3  LYS  15           1HG      LYS  15 -10.268 -12.436   0.086
  102    HD2  LYS  15           2HD      LYS  15 -10.150 -13.723  -2.003
  103    HD3  LYS  15           1HD      LYS  15  -8.654 -14.484  -1.434
  104    HE2  LYS  15           2HE      LYS  15  -9.823 -15.443   0.452
  105    HE3  LYS  15           1HE      LYS  15 -11.333 -14.687  -0.062
  106    HZ1  LYS  15           3HZ      LYS  15 -11.145 -17.015  -0.654
  107    HZ2  LYS  15           1HZ      LYS  15  -9.817 -16.721  -1.620
  108    HZ3  LYS  15           2HZ      LYS  15 -11.350 -16.072  -2.011
  109    H    VAL  16           H        VAL  16  -7.644  -8.270   0.844
  110    HA   VAL  16           HA       VAL  16  -5.401  -8.053  -0.943
  111    HB   VAL  16           HB       VAL  16  -7.103  -6.887  -2.268
  112   HG11  VAL  16          1HG1      VAL  16  -7.495  -5.199   0.138
  113   HG12  VAL  16          2HG1      VAL  16  -8.635  -6.387  -0.487
  114   HG13  VAL  16          3HG1      VAL  16  -8.278  -4.914  -1.431
  115   HG21  VAL  16          3HG2      VAL  16  -5.317  -4.900  -0.912
  116   HG22  VAL  16          1HG2      VAL  16  -6.004  -4.710  -2.522
  117   HG23  VAL  16          2HG2      VAL  16  -4.786  -5.965  -2.204
  118    H    ASP  17           H        ASP  17  -4.061  -8.128   0.542
  119    HA   ASP  17           HA       ASP  17  -4.072  -6.700   2.965
  120    HB2  ASP  17           2HB      ASP  17  -1.729  -7.924   1.504
  121    HB3  ASP  17           1HB      ASP  17  -1.681  -7.317   3.167
  122    H    TRP  18           H        TRP  18  -2.984  -4.969   3.673
  123    HA   TRP  18           HA       TRP  18  -2.472  -2.872   1.678
  124    HB2  TRP  18           2HB      TRP  18  -3.367  -2.716   4.568
  125    HB3  TRP  18           1HB      TRP  18  -3.020  -1.320   3.561
  126    HD1  TRP  18           HD       TRP  18  -5.242  -4.432   2.881
  127    HE1  TRP  18           1HE      TRP  18  -7.546  -3.667   2.200
  128    HE3  TRP  18           3HE      TRP  18  -4.510   0.598   3.371
  129    HZ2  TRP  18           2HZ      TRP  18  -8.963  -1.162   1.943
  130    HZ3  TRP  18           3HZ      TRP  18  -6.371   2.097   2.901
  131    HH2  TRP  18           HH       TRP  18  -8.564   1.236   2.205
  132    H    VAL  19           H        VAL  19  -0.683  -1.191   2.361
  133    HA   VAL  19           HA       VAL  19   1.260  -2.537   4.017
  134    HB   VAL  19           HB       VAL  19   3.067  -1.723   2.498
  135   HG11  VAL  19          1HG1      VAL  19   2.320  -4.009   2.257
  136   HG12  VAL  19          2HG1      VAL  19   2.698  -3.325   0.661
  137   HG13  VAL  19          3HG1      VAL  19   1.025  -3.499   1.178
  138   HG21  VAL  19          3HG2      VAL  19   2.529  -0.947   0.246
  139   HG22  VAL  19          1HG2      VAL  19   1.868   0.131   1.467
  140   HG23  VAL  19          2HG2      VAL  19   0.798  -0.986   0.619
  141    H    GLN  20           H        GLN  20   2.410  -1.257   5.295
  142    HA   GLN  20           HA       GLN  20   1.620   1.590   5.454
  143    HB2  GLN  20           2HB      GLN  20   1.014   0.180   7.406
  144    HB3  GLN  20           1HB      GLN  20   2.711  -0.225   7.637
  145    HG2  GLN  20           2HG      GLN  20   3.163   2.182   8.066
  146    HG3  GLN  20           1HG      GLN  20   1.439   2.476   7.915
  147   HE21  GLN  20          1HE2      GLN  20   1.273   3.229   9.971
  148   HE22  GLN  20          2HE2      GLN  20   1.381   2.224  11.365
  149    H    CYS  21           H        CYS  21   3.232   3.180   5.392
  150    HA   CYS  21           HA       CYS  21   5.919   2.134   4.903
  151    HB2  CYS  21           2HB      CYS  21   6.494   4.396   3.929
  152    HB3  CYS  21           1HB      CYS  21   5.048   3.734   3.218
  153    H    ASP  22           H        ASP  22   7.090   1.801   6.660
  154    HA   ASP  22           HA       ASP  22   6.654   3.506   8.975
  155    HB2  ASP  22           2HB      ASP  22   8.076   1.872  10.164
  156    HB3  ASP  22           1HB      ASP  22   6.700   1.094   9.414
  157    H    GLY  23           H        GLY  23   7.934   4.447   6.572
  158    HA2  GLY  23           2HA      GLY  23  10.737   4.840   7.314
  159    HA3  GLY  23           1HA      GLY  23   9.975   5.358   5.805
  160    H    GLY  24           H        GLY  24   7.737   6.271   8.017
  161    HA2  GLY  24           2HA      GLY  24   8.471   8.221   9.631
  162    HA3  GLY  24           1HA      GLY  24   8.833   8.959   8.088
  163    H    CYS  25           H        CYS  25   6.234   7.436   7.068
  164    HA   CYS  25           HA       CYS  25   4.481   9.676   7.879
  165    HB2  CYS  25           2HB      CYS  25   3.857   7.610   5.782
  166    HB3  CYS  25           1HB      CYS  25   3.144   9.202   5.979
  167    H    ASP  26           H        ASP  26   4.750   6.179   8.030
  168    HA   ASP  26           HA       ASP  26   3.557   4.503   8.989
  169    HB2  ASP  26           2HB      ASP  26   2.397   6.704  10.755
  170    HB3  ASP  26           1HB      ASP  26   2.206   4.999  11.040
  171    H    GLU  27           H        GLU  27   2.350   6.097   6.771
  172    HA   GLU  27           HA       GLU  27  -0.513   5.918   7.245
  173    HB2  GLU  27           2HB      GLU  27   0.998   6.792   4.765
  174    HB3  GLU  27           1HB      GLU  27  -0.733   6.906   4.981
  175    HG2  GLU  27           2HG      GLU  27  -0.424   8.444   6.846
  176    HG3  GLU  27           1HG      GLU  27   1.320   8.295   6.680
  177    H    TRP  28           H        TRP  28  -1.836   4.955   5.407
  178    HA   TRP  28           HA       TRP  28  -0.768   2.270   4.857
  179    HB2  TRP  28           2HB      TRP  28  -3.606   3.025   5.572
  180    HB3  TRP  28           1HB      TRP  28  -3.120   1.442   4.994
  181    HD1  TRP  28           HD       TRP  28  -2.761   3.714   8.058
  182    HE1  TRP  28           1HE      TRP  28  -2.003   2.264  10.044
  183    HE3  TRP  28           3HE      TRP  28  -1.937  -0.683   5.584
  184    HZ2  TRP  28           2HZ      TRP  28  -1.171  -0.397  10.513
  185    HZ3  TRP  28           3HZ      TRP  28  -1.163  -2.637   6.882
  186    HH2  TRP  28           HH       TRP  28  -0.799  -2.497   9.272
  187    H    PHE  29           H        PHE  29  -0.665   1.613   2.924
  188    HA   PHE  29           HA       PHE  29  -2.032   3.103   0.748
  189    HB2  PHE  29           2HB      PHE  29   0.623   1.607   0.609
  190    HB3  PHE  29           1HB      PHE  29  -0.063   2.652  -0.606
  191    HD1  PHE  29           1HD      PHE  29   1.140   2.723   2.909
  192    HD2  PHE  29           2HD      PHE  29   0.725   4.854  -0.745
  193    HE1  PHE  29           1HE      PHE  29   2.457   4.547   3.836
  194    HE2  PHE  29           2HE      PHE  29   2.058   6.700   0.191
  195    HZ   PHE  29           HZ       PHE  29   2.937   6.515   2.517
  196    H    HIS  30           H        HIS  30  -2.574   1.779  -1.111
  197    HA   HIS  30           HA       HIS  30  -3.158  -1.079  -0.537
  198    HB2  HIS  30           2HB      HIS  30  -3.964   0.848  -2.608
  199    HB3  HIS  30           1HB      HIS  30  -4.223  -0.790  -3.048
  200    HD2  HIS  30           2HD      HIS  30  -6.198  -1.955  -1.049
  201    HE1  HIS  30           1HE      HIS  30  -8.049   1.856  -0.810
  202    HE2  HIS  30           2HE      HIS  30  -8.392  -0.653  -0.754
  203    H    GLN  31           H        GLN  31  -2.035  -2.660  -1.466
  204    HA   GLN  31           HA       GLN  31   0.380  -2.194  -2.703
  205    HB2  GLN  31           2HB      GLN  31  -1.315  -4.688  -2.768
  206    HB3  GLN  31           1HB      GLN  31   0.292  -4.600  -3.491
  207    HG2  GLN  31           2HG      GLN  31   1.242  -4.026  -1.315
  208    HG3  GLN  31           1HG      GLN  31  -0.352  -4.100  -0.600
  209   HE21  GLN  31          1HE2      GLN  31  -1.227  -6.059  -0.169
  210   HE22  GLN  31          2HE2      GLN  31  -0.391  -7.556  -0.293
  211    H    VAL  32           H        VAL  32  -2.725  -2.749  -4.317
  212    HA   VAL  32           HA       VAL  32  -1.505  -2.719  -6.888
  213    HB   VAL  32           HB       VAL  32  -3.650  -3.861  -6.555
  214   HG11  VAL  32          1HG1      VAL  32  -4.573  -2.375  -4.901
  215   HG12  VAL  32          2HG1      VAL  32  -5.707  -2.498  -6.282
  216   HG13  VAL  32          3HG1      VAL  32  -4.619  -1.097  -6.109
  217   HG21  VAL  32          3HG2      VAL  32  -3.888  -1.496  -8.337
  218   HG22  VAL  32          1HG2      VAL  32  -4.856  -2.963  -8.494
  219   HG23  VAL  32          2HG2      VAL  32  -3.105  -3.031  -8.809
  220    H    CYS  33           H        CYS  33  -3.071  -0.361  -4.968
  221    HA   CYS  33           HA       CYS  33  -3.156   1.669  -7.039
  222    HB2  CYS  33           2HB      CYS  33  -4.231   3.134  -5.576
  223    HB3  CYS  33           1HB      CYS  33  -4.797   1.583  -5.074
  224    H    VAL  34           H        VAL  34  -0.759   0.940  -4.528
  225    HA   VAL  34           HA       VAL  34   0.674   3.260  -5.460
  226    HB   VAL  34           HB       VAL  34   0.247   2.489  -2.926
  227   HG11  VAL  34          1HG1      VAL  34   2.678   1.006  -3.459
  228   HG12  VAL  34          2HG1      VAL  34   1.092   0.339  -3.121
  229   HG13  VAL  34          3HG1      VAL  34   1.925   1.317  -1.893
  230   HG21  VAL  34          3HG2      VAL  34   1.292   4.459  -3.672
  231   HG22  VAL  34          1HG2      VAL  34   2.819   3.602  -3.927
  232   HG23  VAL  34          2HG2      VAL  34   2.130   3.760  -2.272
  233    H    GLY  35           H        GLY  35   0.333   0.391  -6.561
  234    HA2  GLY  35           2HA      GLY  35   1.603  -1.273  -7.652
  235    HA3  GLY  35           1HA      GLY  35   2.761   0.002  -7.911
  236    H    VAL  36           H        VAL  36   1.777  -2.450  -5.424
  237    HA   VAL  36           HA       VAL  36   4.578  -2.990  -4.826
  238    HB   VAL  36           HB       VAL  36   2.113  -3.033  -3.048
  239   HG11  VAL  36          1HG1      VAL  36   4.843  -4.188  -2.491
  240   HG12  VAL  36          2HG1      VAL  36   3.272  -4.957  -2.424
  241   HG13  VAL  36          3HG1      VAL  36   3.699  -3.784  -1.203
  242   HG21  VAL  36          3HG2      VAL  36   4.637  -1.391  -2.840
  243   HG22  VAL  36          1HG2      VAL  36   3.363  -1.477  -1.614
  244   HG23  VAL  36          2HG2      VAL  36   2.995  -0.847  -3.213
  245    H    SER  37           H        SER  37   4.995  -5.396  -4.617
  246    HA   SER  37           HA       SER  37   2.852  -6.863  -5.804
  247    HB2  SER  37           2HB      SER  37   4.734  -8.502  -6.131
  248    HB3  SER  37           1HB      SER  37   4.994  -6.977  -6.990
  249    HG   SER  37           HG       SER  37   6.885  -7.341  -5.962
  250    HA   PRO  38           HA       PRO  38   1.841  -8.610  -1.851
  251    HB2  PRO  38           2HB      PRO  38   1.646 -11.315  -2.500
  252    HB3  PRO  38           1HB      PRO  38   0.383 -10.112  -2.799
  253    HG2  PRO  38           2HG      PRO  38   2.499 -11.116  -4.644
  254    HG3  PRO  38           1HG      PRO  38   0.772 -10.894  -4.967
  255    HD2  PRO  38           2HD      PRO  38   2.528  -9.098  -5.837
  256    HD3  PRO  38           1HD      PRO  38   1.023  -8.532  -5.104
  257    H    GLU  39           H        GLU  39   4.568  -9.954  -3.628
  258    HA   GLU  39           HA       GLU  39   5.617 -11.449  -1.500
  259    HB2  GLU  39           2HB      GLU  39   6.672 -10.545  -4.167
  260    HB3  GLU  39           1HB      GLU  39   7.556 -11.545  -3.027
  261    HG2  GLU  39           2HG      GLU  39   5.814 -13.268  -3.194
  262    HG3  GLU  39           1HG      GLU  39   4.917 -12.239  -4.295
  263    H    MET  40           H        MET  40   5.838  -8.134  -2.568
  264    HA   MET  40           HA       MET  40   8.313  -7.625  -1.231
  265    HB2  MET  40           2HB      MET  40   7.236  -6.143  -3.191
  266    HB3  MET  40           1HB      MET  40   6.316  -5.491  -1.873
  267    HG2  MET  40           2HG      MET  40   8.082  -4.684  -0.732
  268    HG3  MET  40           1HG      MET  40   9.321  -5.502  -1.711
  269    HE1  MET  40           3HE      MET  40   7.328  -2.334  -1.012
  270    HE2  MET  40           1HE      MET  40   6.210  -3.020  -2.187
  271    HE3  MET  40           2HE      MET  40   7.100  -1.558  -2.588
  272    H    ALA  41           H        ALA  41   4.905  -7.260  -0.537
  273    HA   ALA  41           HA       ALA  41   5.041  -5.726   1.757
  274    HB1  ALA  41           1HB      ALA  41   2.770  -6.500   2.245
  275    HB2  ALA  41           2HB      ALA  41   2.953  -7.832   1.098
  276    HB3  ALA  41           3HB      ALA  41   2.945  -6.173   0.527
  277    H    GLU  42           H        GLU  42   5.134  -9.208   1.534
  278    HA   GLU  42           HA       GLU  42   5.549  -9.401   4.399
  279    HB2  GLU  42           2HB      GLU  42   5.327 -11.627   2.389
  280    HB3  GLU  42           1HB      GLU  42   5.692 -11.924   4.081
  281    HG2  GLU  42           2HG      GLU  42   3.577 -10.804   4.679
  282    HG3  GLU  42           1HG      GLU  42   3.173 -10.680   2.965
  283    H    ASN  43           H        ASN  43   7.716  -9.033   1.818
  284    HA   ASN  43           HA       ASN  43   9.803 -10.402   3.340
  285    HB2  ASN  43           2HB      ASN  43   9.536  -9.941   0.416
  286    HB3  ASN  43           1HB      ASN  43  11.075 -10.363   1.165
  287   HD21  ASN  43          1HD2      ASN  43   9.438 -11.810  -0.762
  288   HD22  ASN  43          2HD2      ASN  43   9.104 -13.352  -0.039
  289    H    GLU  44           H        GLU  44   9.105  -7.281   1.758
  290    HA   GLU  44           HA       GLU  44  11.734  -6.428   2.739
  291    HB2  GLU  44           2HB      GLU  44  10.580  -5.796   0.028
  292    HB3  GLU  44           1HB      GLU  44  12.038  -5.058   0.689
  293    HG2  GLU  44           2HG      GLU  44  13.094  -7.255   0.832
  294    HG3  GLU  44           1HG      GLU  44  11.652  -7.995   0.148
  295    H    ASP  45           H        ASP  45  12.017  -4.010   2.740
  296    HA   ASP  45           HA       ASP  45   9.939  -2.884   4.296
  297    HB2  ASP  45           2HB      ASP  45  11.501  -0.947   4.507
  298    HB3  ASP  45           1HB      ASP  45  12.225  -2.483   4.958
  299    H    TYR  46           H        TYR  46   8.286  -1.917   3.577
  300    HA   TYR  46           HA       TYR  46   8.262  -0.732   0.986
  301    HB2  TYR  46           2HB      TYR  46   6.206  -1.829   1.512
  302    HB3  TYR  46           1HB      TYR  46   6.033  -0.951   3.035
  303    HD1  TYR  46           1HD      TYR  46   5.835  -0.659  -0.663
  304    HD2  TYR  46           2HD      TYR  46   5.081   1.254   3.067
  305    HE1  TYR  46           1HE      TYR  46   4.546   1.157  -1.809
  306    HE2  TYR  46           2HE      TYR  46   3.840   3.001   1.906
  307    HH   TYR  46           HH       TYR  46   2.855   2.722  -1.203
  308    H    ILE  47           H        ILE  47   9.288   0.903   0.846
  309    HA   ILE  47           HA       ILE  47   8.932   3.270   2.599
  310    HB   ILE  47           HB       ILE  47  10.895   2.998   0.270
  311   HG12  ILE  47          2HG1      ILE  47  11.428   1.374   2.048
  312   HG13  ILE  47          1HG1      ILE  47  12.642   2.651   1.967
  313   HG21  ILE  47          1HG2      ILE  47  10.337   5.300   0.802
  314   HG22  ILE  47          2HG2      ILE  47  11.992   4.958   1.329
  315   HG23  ILE  47          3HG2      ILE  47  10.657   4.955   2.511
  316   HD11  ILE  47          3HD1      ILE  47  10.416   2.419   3.985
  317   HD12  ILE  47          1HD1      ILE  47  11.615   3.709   3.927
  318   HD13  ILE  47          2HD1      ILE  47  12.110   2.049   4.270
  319    H    CYS  48           H        CYS  48   7.960   5.349   1.660
  320    HA   CYS  48           HA       CYS  48   6.456   4.683  -0.736
  321    HB2  CYS  48           2HB      CYS  48   4.824   6.206   0.007
  322    HB3  CYS  48           1HB      CYS  48   5.262   5.331   1.469
  323    H    ILE  49           H        ILE  49   5.899   6.806  -1.837
  324    HA   ILE  49           HA       ILE  49   8.090   7.939  -3.086
  325    HB   ILE  49           HB       ILE  49   5.885   7.941  -4.053
  326   HG12  ILE  49          2HG1      ILE  49   6.909  10.719  -3.590
  327   HG13  ILE  49          1HG1      ILE  49   7.544   9.606  -4.791
  328   HG21  ILE  49          1HG2      ILE  49   4.132   9.495  -3.319
  329   HG22  ILE  49          2HG2      ILE  49   5.135   9.951  -1.958
  330   HG23  ILE  49          3HG2      ILE  49   4.521   8.293  -2.082
  331   HD11  ILE  49          3HD1      ILE  49   5.407   9.562  -5.885
  332   HD12  ILE  49          1HD1      ILE  49   6.047  11.216  -5.837
  333   HD13  ILE  49          2HD1      ILE  49   4.768  10.708  -4.715
  334    H    ASN  50           H        ASN  50   6.398   9.179  -0.167
  335    HA   ASN  50           HA       ASN  50   8.065  11.537  -0.230
  336    HB2  ASN  50           2HB      ASN  50   5.916  10.773   1.781
  337    HB3  ASN  50           1HB      ASN  50   6.843  12.271   1.801
  338   HD21  ASN  50          1HD2      ASN  50   4.230  10.535   0.353
  339   HD22  ASN  50          2HD2      ASN  50   3.675  11.863  -0.610
  340    H    CYS  51           H        CYS  51   7.998   8.504   1.394
  341    HA   CYS  51           HA       CYS  51   9.817   9.252   3.459
  342    HB2  CYS  51           2HB      CYS  51   8.970   6.555   2.389
  343    HB3  CYS  51           1HB      CYS  51  10.255   6.681   3.555
  344    H    ALA  52           H        ALA  52  10.126   8.389   0.195
  345    HA   ALA  52           HA       ALA  52  12.940   7.654   0.379
  346    HB1  ALA  52           3HB      ALA  52  12.847   7.247  -2.008
  347    HB2  ALA  52           1HB      ALA  52  11.240   7.990  -2.075
  348    HB3  ALA  52           2HB      ALA  52  11.477   6.495  -1.164