*HEADER    TOXIN                                   25-SEP-18   6MK5              
*TITLE     SOLUTION NMR STRUCTURE OF SPIDER TOXIN ANALOGUE [F5A,M6F,T26L,        
*TITLE    2 K28R]GPTX-1                                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TOXIN GTX1-15;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: BETA/OMEGA-THERAPHOTOXIN-GR2A, BETA/OMEGA-TRTX-GR2A, TOXIN  
*COMPND   5 GPTX-1;                                                              
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: GRAMMOSTOLA PORTERI;                            
*SOURCE   4 ORGANISM_COMMON: TARANTULA SPIDER;                                   
*SOURCE   5 ORGANISM_TAXID: 1749325                                              
*KEYWDS    GPTX-1 ANALOGUE, SPIDER TOXIN, PEPTIDE-MEMBRANE INTERACTIONS,         
*KEYWDS   2 VOLTAGE-SENSITIVE SODIUM CHANNELS, TOXIN                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.I.SCHROEDER                                                         
*REVDAT   1   19-DEC-18 6MK5    0                                                
# Restraints file 1: restraints.tbl
!distance restraints
assign (resid 29    and name HA   ) (resid 29    and name HD1  )    4.73    4.73    0.00
assign (resid 24    and name HN   ) (resid 24    and name HB2  )    3.43    3.43    0.00
assign (resid 24    and name HN   ) (resid 24    and name HB1  )    3.43    3.43    0.00
assign (resid 21    and name HN   ) (resid 21    and name HG   )    4.24    4.24    0.00
assign (resid 21    and name HN   ) (resid 21    and name HB2  )    3.55    3.55    0.00
assign (resid 21    and name HA   ) (resid 21    and name HG   )    4.22    4.22    0.00
assign (resid 19    and name HD#  ) (resid 20    and name HN   )    3.53    3.53    0.00
assign (resid 20    and name HN   ) (resid 20    and name HB2  )    3.89    3.89    0.00
assign (resid 20    and name HN   ) (resid 20    and name HB1  )    3.89    3.89    0.00
assign (resid 20    and name HB1  ) (resid 21    and name HN   )    4.80    4.80    0.00
assign (resid 20    and name HB2  ) (resid 21    and name HN   )    4.80    4.80    0.00
assign (resid 21    and name HA   ) (resid 22    and name HN   )    2.96    2.96    0.00
assign (resid 22    and name HA   ) (resid 23    and name HN   )    3.00    3.00    0.00
assign (resid 23    and name HA   ) (resid 24    and name HN   )    2.98    2.98    0.00
assign (resid 22    and name HN   ) (resid 22    and name HB   )    4.02    4.02    0.00
assign (resid 22    and name HN   ) (resid 22    and name HG2# )    4.07    4.07    0.00
assign (resid 22    and name HN   ) (resid 22    and name HG1# )    4.07    4.07    0.00
assign (resid 22    and name HA   ) (resid 22    and name HG1# )    4.01    4.01    0.00
assign (resid 22    and name HA   ) (resid 22    and name HG2# )    4.01    4.01    0.00
assign (resid 21    and name HB1  ) (resid 22    and name HN   )    3.41    3.41    0.00
assign (resid 21    and name HG   ) (resid 22    and name HN   )    5.50    5.50    0.00
assign (resid 21    and name HB2  ) (resid 22    and name HN   )    4.38    4.38    0.00
assign (resid 23    and name HN   ) (resid 23    and name HB1  )    3.32    3.32    0.00
assign (resid 23    and name HN   ) (resid 23    and name HB2  )    3.32    3.32    0.00
assign (resid 22    and name HB   ) (resid 23    and name HN   )    4.23    4.23    0.00
assign (resid 22    and name HG1# ) (resid 23    and name HN   )    4.49    4.49    0.00
assign (resid 22    and name HG2# ) (resid 23    and name HN   )    4.49    4.49    0.00
assign (resid 23    and name HB1  ) (resid 24    and name HN   )    5.06    5.06    0.00
assign (resid 23    and name HB2  ) (resid 24    and name HN   )    5.06    5.06    0.00
assign (resid 25    and name HN   ) (resid 25    and name HB#  )    3.05    3.05    0.00
assign (resid 25    and name HN   ) (resid 25    and name HG2  )    4.48    4.48    0.00
assign (resid 25    and name HN   ) (resid 25    and name HG1  )    4.48    4.48    0.00
assign (resid 25    and name HN   ) (resid 25    and name HD#  )    4.63    4.63    0.00
assign (resid 24    and name HB1  ) (resid 25    and name HN   )    4.63    4.63    0.00
assign (resid 24    and name HB2  ) (resid 25    and name HN   )    4.63    4.63    0.00
assign (resid 24    and name HA   ) (resid 25    and name HN   )    2.89    2.89    0.00
assign (resid 25    and name HA   ) (resid 25    and name HG2  )    4.11    4.11    0.00
assign (resid 25    and name HA   ) (resid 25    and name HG1  )    4.11    4.11    0.00
assign (resid 28    and name HA   ) (resid 29    and name HN   )    3.37    3.37    0.00
assign (resid 30    and name HN   ) (resid 30    and name HB1  )    3.95    3.95    0.00
assign (resid 30    and name HN   ) (resid 30    and name HB2  )    3.01    3.01    0.00
assign (resid 29    and name HA   ) (resid 30    and name HN   )    3.06    3.06    0.00
assign (resid 30    and name HA   ) (resid 31    and name HN   )    3.00    3.00    0.00
assign (resid 30    and name HB1  ) (resid 31    and name HN   )    4.20    4.20    0.00
assign (resid 30    and name HB2  ) (resid 31    and name HN   )    4.73    4.73    0.00
assign (resid 31    and name HA   ) (resid 31    and name HD#  )    5.15    5.15    0.00
assign (resid 31    and name HN   ) (resid 31    and name HG1  )    4.08    4.08    0.00
assign (resid 31    and name HN   ) (resid 31    and name HG2  )    4.08    4.08    0.00
assign (resid 31    and name HN   ) (resid 31    and name HD#  )    4.71    4.71    0.00
assign (resid 31    and name HN   ) (resid 31    and name HB1  )    3.89    3.89    0.00
assign (resid 32    and name HN   ) (resid 32    and name HB2  )    3.63    3.63    0.00
assign (resid 32    and name HN   ) (resid 32    and name HB1  )    3.63    3.63    0.00
assign (resid 31    and name HA   ) (resid 32    and name HN   )    3.06    3.06    0.00
assign (resid 31    and name HB2  ) (resid 32    and name HN   )    3.47    3.47    0.00
assign (resid 31    and name HB1  ) (resid 32    and name HN   )    4.04    4.04    0.00
assign (resid 3     and name HB2  ) (resid 4     and name HN   )    3.97    3.97    0.00
assign (resid 32    and name HA   ) (resid 32    and name HD#  )    3.50    3.50    0.00
assign (resid 32    and name HA   ) (resid 32    and name HE#  )    5.26    5.26    0.00
assign (resid 33    and name HN   ) (resid 33    and name HG2# )    3.90    3.90    0.00
assign (resid 33    and name HN   ) (resid 33    and name HG1# )    3.90    3.90    0.00
assign (resid 33    and name HN   ) (resid 33    and name HB   )    3.95    3.95    0.00
assign (resid 32    and name HA   ) (resid 33    and name HN   )    2.93    2.93    0.00
assign (resid 32    and name HB2  ) (resid 33    and name HN   )    4.59    4.59    0.00
assign (resid 32    and name HB1  ) (resid 33    and name HN   )    4.59    4.59    0.00
assign (resid 33    and name HA   ) (resid 33    and name HG1# )    3.69    3.69    0.00
assign (resid 33    and name HA   ) (resid 33    and name HG2# )    3.69    3.69    0.00
assign (resid 34    and name HN   ) (resid 34    and name HB2  )    4.00    4.00    0.00
assign (resid 34    and name HN   ) (resid 34    and name HB1  )    4.00    4.00    0.00
assign (resid 33    and name HA   ) (resid 34    and name HN   )    3.49    3.49    0.00
assign (resid 34    and name HA   ) (resid 34    and name HD#  )    4.34    4.34    0.00
assign (resid 33    and name HG2# ) (resid 34    and name HN   )    4.22    4.22    0.00
assign (resid 33    and name HG1# ) (resid 34    and name HN   )    4.22    4.22    0.00
assign (resid 33    and name HB   ) (resid 34    and name HN   )    4.53    4.53    0.00
assign (resid 26    and name HA   ) (resid 26    and name HG   )    3.71    3.71    0.00
assign (resid 26    and name HA   ) (resid 26    and name HD1# )    4.44    4.44    0.00
assign (resid 26    and name HA   ) (resid 26    and name HD2# )    4.44    4.44    0.00
assign (resid 26    and name HN   ) (resid 26    and name HB2  )    3.75    3.75    0.00
assign (resid 26    and name HN   ) (resid 26    and name HB1  )    3.75    3.75    0.00
assign (resid 26    and name HN   ) (resid 26    and name HG   )    4.53    4.53    0.00
assign (resid 26    and name HN   ) (resid 26    and name HD1# )    5.25    5.25    0.00
assign (resid 26    and name HN   ) (resid 26    and name HD2# )    5.25    5.25    0.00
assign (resid 26    and name HD2# ) (resid 27    and name HN   )    5.23    5.23    0.00
assign (resid 26    and name HD1# ) (resid 27    and name HN   )    5.23    5.23    0.00
assign (resid 26    and name HG   ) (resid 27    and name HN   )    4.90    4.90    0.00
assign (resid 26    and name HB1  ) (resid 27    and name HN   )    4.10    4.10    0.00
assign (resid 26    and name HB2  ) (resid 27    and name HN   )    4.10    4.10    0.00
assign (resid 28    and name HN   ) (resid 28    and name HG2  )    4.75    4.75    0.00
assign (resid 28    and name HN   ) (resid 28    and name HG1  )    4.75    4.75    0.00
assign (resid 28    and name HN   ) (resid 28    and name HB2  )    4.20    4.20    0.00
assign (resid 28    and name HN   ) (resid 28    and name HB1  )    4.20    4.20    0.00
assign (resid 28    and name HA   ) (resid 28    and name HG2  )    3.97    3.97    0.00
assign (resid 28    and name HA   ) (resid 28    and name HG1  )    3.97    3.97    0.00
assign (resid 17    and name HA   ) (resid 18    and name HN   )    3.57    3.57    0.00
assign (resid 16    and name HA   ) (resid 17    and name HN   )    2.91    2.91    0.00
assign (resid 16    and name HN   ) (resid 16    and name HB#  )    3.16    3.16    0.00
assign (resid 17    and name HN   ) (resid 17    and name HB1  )    3.82    3.82    0.00
assign (resid 17    and name HN   ) (resid 17    and name HB2  )    3.82    3.82    0.00
assign (resid 16    and name HB#  ) (resid 17    and name HN   )    3.68    3.68    0.00
assign (resid 18    and name HN   ) (resid 18    and name HB2  )    3.80    3.80    0.00
assign (resid 18    and name HN   ) (resid 18    and name HB1  )    3.80    3.80    0.00
assign (resid 17    and name HB1  ) (resid 18    and name HN   )    4.62    4.62    0.00
assign (resid 17    and name HB2  ) (resid 18    and name HN   )    4.62    4.62    0.00
assign (resid 14    and name HA   ) (resid 15    and name HN   )    3.04    3.04    0.00
assign (resid 13    and name HA   ) (resid 14    and name HN   )    3.21    3.21    0.00
assign (resid 11    and name HD2  ) (resid 12    and name HN   )    4.26    4.26    0.00
assign (resid 11    and name HD1  ) (resid 12    and name HN   )    4.26    4.26    0.00
assign (resid 24    and name HB1  ) (resid 31    and name HD#  )    3.86    3.86    0.00
assign (resid 15    and name HN   ) (resid 15    and name HB2  )    4.14    4.14    0.00
assign (resid 15    and name HN   ) (resid 15    and name HB1  )    4.14    4.14    0.00
assign (resid 15    and name HN   ) (resid 15    and name HG2  )    4.31    4.31    0.00
assign (resid 15    and name HN   ) (resid 15    and name HG1  )    4.31    4.31    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB1  )    3.67    3.67    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB2  )    3.67    3.67    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB1  )    4.09    4.09    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB2  )    4.09    4.09    0.00
assign (resid 13    and name HB2  ) (resid 14    and name HN   )    5.15    5.15    0.00
assign (resid 13    and name HB1  ) (resid 14    and name HN   )    5.15    5.15    0.00
assign (resid 12    and name HN   ) (resid 12    and name HB1  )    3.86    3.86    0.00
assign (resid 12    and name HN   ) (resid 12    and name HB2  )    3.86    3.86    0.00
assign (resid 10    and name HN   ) (resid 10    and name HB   )    3.34    3.34    0.00
assign (resid 10    and name HN   ) (resid 10    and name HG12 )    4.26    4.26    0.00
assign (resid 10    and name HN   ) (resid 10    and name HG11 )    4.26    4.26    0.00
assign (resid 10    and name HN   ) (resid 10    and name HD1# )    3.93    3.93    0.00
assign (resid 10    and name HA   ) (resid 10    and name HD1# )    3.99    3.99    0.00
assign (resid 9     and name HB1  ) (resid 10    and name HN   )    3.93    3.93    0.00
assign (resid 9     and name HB2  ) (resid 10    and name HN   )    3.93    3.93    0.00
assign (resid 9     and name HA   ) (resid 10    and name HN   )    3.28    3.28    0.00
assign (resid 8     and name HN   ) (resid 8     and name HB#  )    2.95    2.95    0.00
assign (resid 8     and name HN   ) (resid 8     and name HG2  )    4.13    4.13    0.00
assign (resid 8     and name HN   ) (resid 8     and name HG1  )    4.13    4.13    0.00
assign (resid 7     and name HD#  ) (resid 8     and name HN   )    4.24    4.24    0.00
assign (resid 8     and name HN   ) (resid 29    and name HB1  )    4.73    4.73    0.00
assign (resid 8     and name HA   ) (resid 9     and name HN   )    3.34    3.34    0.00
assign (resid 8     and name HB#  ) (resid 9     and name HN   )    3.81    3.81    0.00
assign (resid 8     and name HG2  ) (resid 9     and name HN   )    5.14    5.14    0.00
assign (resid 8     and name HG1  ) (resid 9     and name HN   )    5.14    5.14    0.00
assign (resid 7     and name HN   ) (resid 7     and name HB2  )    3.20    3.20    0.00
assign (resid 7     and name HN   ) (resid 7     and name HB1  )    3.84    3.84    0.00
assign (resid 7     and name HN   ) (resid 7     and name HG1  )    4.47    4.47    0.00
assign (resid 7     and name HN   ) (resid 7     and name HG2  )    3.41    3.41    0.00
assign (resid 7     and name HA   ) (resid 8     and name HN   )    2.83    2.83    0.00
assign (resid 6     and name HB1  ) (resid 7     and name HN   )    4.73    4.73    0.00
assign (resid 6     and name HB2  ) (resid 7     and name HN   )    4.73    4.73    0.00
assign (resid 6     and name HA   ) (resid 6     and name HD#  )    3.48    3.48    0.00
assign (resid 5     and name HN   ) (resid 5     and name HB#  )    3.02    3.02    0.00
assign (resid 5     and name HB#  ) (resid 6     and name HN   )    3.87    3.87    0.00
assign (resid 5     and name HA   ) (resid 6     and name HN   )    2.90    2.90    0.00
assign (resid 4     and name HA2  ) (resid 5     and name HN   )    3.45    3.45    0.00
assign (resid 4     and name HA1  ) (resid 5     and name HN   )    3.45    3.45    0.00
assign (resid 3     and name HA   ) (resid 4     and name HN   )    2.88    2.88    0.00
assign (resid 3     and name HN   ) (resid 3     and name HB2  )    3.35    3.35    0.00
assign (resid 3     and name HN   ) (resid 3     and name HG   )    3.46    3.46    0.00
assign (resid 3     and name HN   ) (resid 3     and name HB1  )    3.90    3.90    0.00
assign (resid 3     and name HN   ) (resid 3     and name HD1# )    4.05    4.05    0.00
assign (resid 3     and name HN   ) (resid 3     and name HD2# )    4.05    4.05    0.00
assign (resid 3     and name HA   ) (resid 3     and name HG   )    4.13    4.13    0.00
assign (resid 2     and name HA   ) (resid 3     and name HN   )    3.06    3.06    0.00
assign (resid 2     and name HN   ) (resid 2     and name HB2  )    3.52    3.52    0.00
assign (resid 2     and name HN   ) (resid 2     and name HB1  )    3.52    3.52    0.00
assign (resid 1     and name HA   ) (resid 2     and name HN   )    3.14    3.14    0.00
assign (resid 1     and name HB2  ) (resid 2     and name HN   )    4.68    4.68    0.00
assign (resid 1     and name HB1  ) (resid 2     and name HN   )    4.68    4.68    0.00
assign (resid 21    and name HN   ) (resid 21    and name HB1  )    3.80    3.80    0.00
assign (resid 27    and name HB1  ) (resid 28    and name HN   )    4.88    4.88    0.00
assign (resid 27    and name HB2  ) (resid 28    and name HN   )    4.88    4.88    0.00
assign (resid 27    and name HN   ) (resid 27    and name HD2  )    4.51    4.51    0.00
assign (resid 27    and name HA   ) (resid 27    and name HD2  )    4.87    4.87    0.00
assign (resid 6     and name HA   ) (resid 29    and name HA   )    5.50    5.50    0.00
assign (resid 8     and name HB#  ) (resid 29    and name HA   )    4.92    4.92    0.00
assign (resid 7     and name HN   ) (resid 29    and name HA   )    5.29    5.29    0.00
assign (resid 29    and name HA   ) (resid 29    and name HE3  )    5.50    5.50    0.00
assign (resid 9     and name HN   ) (resid 29    and name HA   )    3.45    3.45    0.00
assign (resid 21    and name HA   ) (resid 33    and name HN   )    3.87    3.87    0.00
assign (resid 18    and name HA   ) (resid 21    and name HN   )    3.63    3.63    0.00
assign (resid 24    and name HA   ) (resid 26    and name HN   )    4.59    4.59    0.00
assign (resid 6     and name HN   ) (resid 6     and name HD#  )    4.63    4.63    0.00
assign (resid 6     and name HN   ) (resid 7     and name HN   )    3.64    3.64    0.00
assign (resid 6     and name HD#  ) (resid 29    and name HE1  )    4.64    4.64    0.00
assign (resid 6     and name HE#  ) (resid 29    and name HE1  )    4.50    4.50    0.00
assign (resid 27    and name HB1  ) (resid 29    and name HE1  )    4.76    4.76    0.00
assign (resid 27    and name HB2  ) (resid 29    and name HE1  )    4.76    4.76    0.00
assign (resid 29    and name HE1  ) (resid 31    and name HB1  )    4.21    4.21    0.00
assign (resid 29    and name HE1  ) (resid 31    and name HB2  )    4.79    4.79    0.00
assign (resid 22    and name HG1# ) (resid 31    and name HN   )    5.43    5.43    0.00
assign (resid 21    and name HB1  ) (resid 31    and name HN   )    5.20    5.20    0.00
assign (resid 22    and name HG2# ) (resid 31    and name HN   )    5.43    5.43    0.00
assign (resid 3     and name HB2  ) (resid 17    and name HN   )    3.99    3.99    0.00
assign (resid 17    and name HN   ) (resid 21    and name HB2  )    4.33    4.33    0.00
assign (resid 5     and name HB#  ) (resid 6     and name HD#  )    3.79    3.79    0.00
assign (resid 5     and name HB#  ) (resid 7     and name HN   )    4.72    4.72    0.00
assign (resid 7     and name HN   ) (resid 29    and name HB2  )    3.81    3.81    0.00
assign (resid 25    and name HB#  ) (resid 26    and name HN   )    3.68    3.68    0.00
assign (resid 29    and name HD1  ) (resid 31    and name HB1  )    3.71    3.71    0.00
assign (resid 29    and name HD1  ) (resid 31    and name HB2  )    4.61    4.61    0.00
assign (resid 6     and name HN   ) (resid 30    and name HB1  )    4.25    4.25    0.00
assign (resid 6     and name HN   ) (resid 29    and name HB2  )    4.86    4.86    0.00
assign (resid 3     and name HB1  ) (resid 17    and name HN   )    5.50    5.50    0.00
assign (resid 3     and name HG   ) (resid 17    and name HN   )    5.50    5.50    0.00
assign (resid 15    and name HB1  ) (resid 16    and name HN   )    5.04    5.04    0.00
assign (resid 3     and name HB2  ) (resid 16    and name HN   )    5.02    5.02    0.00
assign (resid 15    and name HB2  ) (resid 16    and name HN   )    5.04    5.04    0.00
assign (resid 16    and name HN   ) (resid 21    and name HB2  )    5.50    5.50    0.00
assign (resid 22    and name HN   ) (resid 31    and name HN   )    3.58    3.58    0.00
assign (resid 24    and name HN   ) (resid 31    and name HN   )    4.39    4.39    0.00
assign (resid 31    and name HN   ) (resid 32    and name HN   )    5.00    5.00    0.00
assign (resid 29    and name HD1  ) (resid 31    and name HN   )    5.20    5.20    0.00
assign (resid 22    and name HN   ) (resid 23    and name HN   )    4.99    4.99    0.00
assign (resid 23    and name HN   ) (resid 24    and name HN   )    5.25    5.25    0.00
assign (resid 17    and name HN   ) (resid 18    and name HN   )    4.83    4.83    0.00
assign (resid 3     and name HN   ) (resid 17    and name HN   )    4.66    4.66    0.00
assign (resid 6     and name HN   ) (resid 30    and name HN   )    4.66    4.66    0.00
assign (resid 15    and name HN   ) (resid 16    and name HN   )    3.93    3.93    0.00
assign (resid 25    and name HN   ) (resid 26    and name HN   )    3.50    3.50    0.00
assign (resid 7     and name HN   ) (resid 30    and name HN   )    3.84    3.84    0.00
assign (resid 24    and name HN   ) (resid 29    and name HN   )    3.79    3.79    0.00
assign (resid 28    and name HN   ) (resid 29    and name HN   )    3.58    3.58    0.00
assign (resid 27    and name HN   ) (resid 28    and name HN   )    3.26    3.26    0.00
assign (resid 12    and name HN   ) (resid 13    and name HN   )    3.45    3.45    0.00
assign (resid 13    and name HN   ) (resid 14    and name HN   )    3.75    3.75    0.00
assign (resid 20    and name HN   ) (resid 21    and name HN   )    3.37    3.37    0.00
assign (resid 32    and name HN   ) (resid 32    and name HD#  )    3.73    3.73    0.00
assign (resid 6     and name HD#  ) (resid 7     and name HN   )    5.21    5.21    0.00
assign (resid 6     and name HD#  ) (resid 29    and name HZ2  )    4.90    4.90    0.00
assign (resid 6     and name HD#  ) (resid 29    and name HD1  )    4.44    4.44    0.00
assign (resid 21    and name HN   ) (resid 22    and name HN   )    4.81    4.81    0.00
assign (resid 22    and name HN   ) (resid 33    and name HN   )    5.07    5.07    0.00
assign (resid 8     and name HN   ) (resid 9     and name HN   )    4.78    4.78    0.00
assign (resid 7     and name HN   ) (resid 8     and name HN   )    4.77    4.77    0.00
assign (resid 12    and name HN   ) (resid 14    and name HN   )    5.28    5.28    0.00
assign (resid 14    and name HN   ) (resid 15    and name HN   )    5.50    5.50    0.00
assign (resid 33    and name HN   ) (resid 34    and name HN   )    4.22    4.22    0.00
assign (resid 32    and name HD#  ) (resid 33    and name HN   )    4.41    4.41    0.00
assign (resid 7     and name HE   ) (resid 8     and name HN   )    4.78    4.78    0.00
assign (resid 3     and name HN   ) (resid 4     and name HN   )    4.87    4.87    0.00
assign (resid 5     and name HN   ) (resid 6     and name HN   )    4.62    4.62    0.00
assign (resid 9     and name HN   ) (resid 10    and name HN   )    5.20    5.20    0.00
assign (resid 25    and name HN   ) (resid 28    and name HN   )    5.50    5.50    0.00
assign (resid 9     and name HN   ) (resid 29    and name HB1  )    4.51    4.51    0.00
assign (resid 9     and name HN   ) (resid 29    and name HB2  )    5.03    5.03    0.00
assign (resid 29    and name HN   ) (resid 30    and name HN   )    4.74    4.74    0.00
assign (resid 29    and name HD1  ) (resid 30    and name HN   )    4.83    4.83    0.00
assign (resid 7     and name HN   ) (resid 30    and name HB1  )    4.38    4.38    0.00
assign (resid 7     and name HN   ) (resid 30    and name HB2  )    3.50    3.50    0.00
assign (resid 29    and name HB1  ) (resid 29    and name HE3  )    3.22    3.22    0.00
assign (resid 24    and name HB1  ) (resid 29    and name HD1  )    5.17    5.17    0.00
assign (resid 24    and name HB2  ) (resid 29    and name HD1  )    5.17    5.17    0.00
assign (resid 24    and name HB2  ) (resid 27    and name HD2  )    4.80    4.80    0.00
assign (resid 24    and name HB1  ) (resid 27    and name HD2  )    4.80    4.80    0.00
assign (resid 6     and name HA   ) (resid 30    and name HN   )    4.26    4.26    0.00
assign (resid 6     and name HA   ) (resid 29    and name HD1  )    4.00    4.00    0.00
assign (resid 18    and name HA   ) (resid 20    and name HN   )    3.75    3.75    0.00
assign (resid 10    and name HN   ) (resid 14    and name HA   )    4.72    4.72    0.00
assign (resid 14    and name HA   ) (resid 16    and name HN   )    5.46    5.46    0.00
assign (resid 23    and name HA   ) (resid 31    and name HN   )    4.17    4.17    0.00
assign (resid 29    and name HD1  ) (resid 31    and name HA   )    4.21    4.21    0.00
assign (resid 29    and name HD1  ) (resid 30    and name HA   )    5.01    5.01    0.00
assign (resid 11    and name HA   ) (resid 14    and name HB1  )    5.25    5.25    0.00
assign (resid 11    and name HA   ) (resid 14    and name HB2  )    5.25    5.25    0.00
assign (resid 16    and name HB#  ) (resid 22    and name HA   )    3.40    3.40    0.00
assign (resid 16    and name HB#  ) (resid 21    and name HA   )    4.72    4.72    0.00
assign (resid 11    and name HA   ) (resid 13    and name HN   )    4.73    4.73    0.00
assign (resid 22    and name HN   ) (resid 30    and name HB1  )    5.00    5.00    0.00
assign (resid 29    and name HE1  ) (resid 31    and name HA   )    5.19    5.19    0.00
assign (resid 7     and name HB2  ) (resid 30    and name HN   )    4.66    4.66    0.00
assign (resid 7     and name HB1  ) (resid 30    and name HN   )    5.50    5.50    0.00
assign (resid 5     and name HA   ) (resid 6     and name HD#  )    4.72    4.72    0.00
assign (resid 24    and name HN   ) (resid 31    and name HD#  )    4.65    4.65    0.00
assign (resid 24    and name HN   ) (resid 31    and name HB1  )    4.78    4.78    0.00
assign (resid 24    and name HN   ) (resid 31    and name HB2  )    5.50    5.50    0.00
assign (resid 7     and name HB1  ) (resid 7     and name HE   )    4.21    4.21    0.00
assign (resid 7     and name HB2  ) (resid 7     and name HE   )    4.83    4.83    0.00
assign (resid 7     and name HA   ) (resid 7     and name HD#  )    3.08    3.08    0.00
assign (resid 28    and name HA   ) (resid 29    and name HB1  )    5.50    5.50    0.00
assign (resid 25    and name HA   ) (resid 25    and name HD#  )    4.57    4.57    0.00
assign (resid 8     and name HG1  ) (resid 8     and name QZ   )    5.50    5.50    0.00
assign (resid 8     and name HG2  ) (resid 8     and name QZ   )    5.50    5.50    0.00
assign (resid 11    and name HA   ) (resid 23    and name HN   )    5.50    5.50    0.00
assign (resid 13    and name HN   ) (resid 14    and name HA   )    4.71    4.71    0.00
assign (resid 7     and name HA   ) (resid 7     and name HE   )    4.70    4.70    0.00
assign (resid 6     and name HD#  ) (resid 29    and name HB2  )    4.93    4.93    0.00
assign (resid 26    and name HG   ) (resid 27    and name HD2  )    5.50    5.50    0.00
assign (resid 21    and name HB1  ) (resid 32    and name HE#  )    5.50    5.50    0.00
assign (resid 21    and name HB1  ) (resid 32    and name HD#  )    5.50    5.50    0.00
assign (resid 21    and name HG   ) (resid 32    and name HD#  )    4.93    4.93    0.00
assign (resid 3     and name HB1  ) (resid 4     and name HN   )    3.98    3.98    0.00
assign (resid 25    and name HD#  ) (resid 26    and name HN   )    4.79    4.79    0.00
assign (resid 21    and name HA   ) (resid 32    and name HD#  )    5.10    5.10    0.00
assign (resid 6     and name HN   ) (resid 29    and name HD1  )    4.91    4.91    0.00
assign (resid 10    and name HN   ) (resid 15    and name HN   )    4.94    4.94    0.00
assign (resid 3     and name HB2  ) (resid 16    and name HA   )    3.30    3.30    0.00
assign (resid 3     and name HB1  ) (resid 16    and name HA   )    4.08    4.08    0.00
assign (resid 3     and name HG   ) (resid 16    and name HA   )    4.55    4.55    0.00
assign (resid 16    and name HA   ) (resid 21    and name HB1  )    5.44    5.44    0.00
assign (resid 21    and name HB1  ) (resid 30    and name HA   )    5.50    5.50    0.00
assign (resid 24    and name HB2  ) (resid 31    and name HD#  )    3.86    3.86    0.00
assign (resid 6     and name HA   ) (resid 29    and name HB2  )    3.82    3.82    0.00
assign (resid 21    and name HA   ) (resid 32    and name HA   )    3.99    3.99    0.00
assign (resid 8     and name HA   ) (resid 29    and name HA   )    3.86    3.86    0.00
assign (resid 1     and name HB#  ) (resid 2     and name HN   )    4.05    4.05    0.00
assign (resid 2     and name HN   ) (resid 2     and name HB#  )    2.84    2.84    0.00
assign (resid 2     and name HB#  ) (resid 17    and name HN   )    5.34    5.34    0.00
assign (resid 3     and name HA   ) (resid 3     and name HD## )    3.06    3.06    0.00
assign (resid 3     and name HD## ) (resid 16    and name HN   )    4.53    4.53    0.00
assign (resid 4     and name HA#  ) (resid 5     and name HN   )    2.84    2.84    0.00
assign (resid 5     and name HN   ) (resid 21    and name HD## )    4.18    4.18    0.00
assign (resid 6     and name HN   ) (resid 21    and name HD## )    5.00    5.00    0.00
assign (resid 8     and name HN   ) (resid 8     and name HG#  )    3.53    3.53    0.00
assign (resid 8     and name HG#  ) (resid 9     and name HN   )    4.32    4.32    0.00
assign (resid 9     and name HB#  ) (resid 10    and name HN   )    3.19    3.19    0.00
assign (resid 9     and name HB#  ) (resid 29    and name HA   )    4.83    4.83    0.00
assign (resid 10    and name HN   ) (resid 10    and name HG1# )    3.53    3.53    0.00
assign (resid 10    and name HA   ) (resid 11    and name HD#  )    3.13    3.13    0.00
assign (resid 11    and name HA   ) (resid 14    and name HB#  )    4.50    4.50    0.00
assign (resid 11    and name HA   ) (resid 23    and name HB#  )    3.36    3.36    0.00
assign (resid 11    and name HB#  ) (resid 12    and name HN   )    3.50    3.50    0.00
assign (resid 11    and name HG#  ) (resid 12    and name HN   )    3.89    3.89    0.00
assign (resid 11    and name HD#  ) (resid 12    and name HN   )    3.72    3.72    0.00
assign (resid 12    and name HN   ) (resid 12    and name HB#  )    3.26    3.26    0.00
assign (resid 12    and name HB#  ) (resid 13    and name HN   )    4.05    4.05    0.00
assign (resid 13    and name HN   ) (resid 13    and name HB#  )    3.57    3.57    0.00
assign (resid 14    and name HN   ) (resid 14    and name HB#  )    2.95    2.95    0.00
assign (resid 14    and name HB#  ) (resid 15    and name HN   )    3.98    3.98    0.00
assign (resid 14    and name HB#  ) (resid 23    and name HN   )    4.80    4.80    0.00
assign (resid 15    and name HN   ) (resid 15    and name HB#  )    3.31    3.31    0.00
assign (resid 15    and name HN   ) (resid 15    and name HG#  )    3.73    3.73    0.00
assign (resid 15    and name HB#  ) (resid 16    and name HN   )    4.38    4.38    0.00
assign (resid 17    and name HN   ) (resid 17    and name HB#  )    3.19    3.19    0.00
assign (resid 18    and name HN   ) (resid 18    and name HB#  )    3.10    3.10    0.00
assign (resid 19    and name HG#  ) (resid 20    and name HN   )    3.83    3.83    0.00
assign (resid 19    and name HD#  ) (resid 20    and name HD2# )    5.03    5.03    0.00
assign (resid 20    and name HN   ) (resid 20    and name HB#  )    3.22    3.22    0.00
assign (resid 20    and name HN   ) (resid 20    and name HD2# )    4.51    4.51    0.00
assign (resid 20    and name HB#  ) (resid 20    and name HD2# )    3.18    3.18    0.00
assign (resid 20    and name HB#  ) (resid 21    and name HN   )    4.07    4.07    0.00
assign (resid 21    and name HN   ) (resid 21    and name HD## )    4.60    4.60    0.00
assign (resid 21    and name HA   ) (resid 21    and name HD## )    3.33    3.33    0.00
assign (resid 21    and name HA   ) (resid 22    and name HG## )    4.63    4.63    0.00
assign (resid 21    and name HD## ) (resid 22    and name HN   )    4.17    4.17    0.00
assign (resid 21    and name HD## ) (resid 31    and name HN   )    4.89    4.89    0.00
assign (resid 21    and name HD## ) (resid 31    and name HA   )    4.46    4.46    0.00
assign (resid 21    and name HD## ) (resid 32    and name HN   )    4.36    4.36    0.00
assign (resid 21    and name HD## ) (resid 32    and name HA   )    3.24    3.24    0.00
assign (resid 21    and name HD## ) (resid 32    and name HD#  )    3.65    3.65    0.00
assign (resid 21    and name HD## ) (resid 32    and name HE#  )    3.96    3.96    0.00
assign (resid 21    and name HD## ) (resid 33    and name HN   )    4.28    4.28    0.00
assign (resid 22    and name HN   ) (resid 22    and name HG## )    3.29    3.29    0.00
assign (resid 22    and name HN   ) (resid 31    and name HG#  )    4.73    4.73    0.00
assign (resid 22    and name HG## ) (resid 23    and name HN   )    3.44    3.44    0.00
assign (resid 22    and name HG## ) (resid 31    and name HN   )    4.64    4.64    0.00
assign (resid 23    and name HB#  ) (resid 24    and name HN   )    4.43    4.43    0.00
assign (resid 24    and name HN   ) (resid 24    and name HB#  )    2.95    2.95    0.00
assign (resid 24    and name HN   ) (resid 31    and name HG#  )    4.42    4.42    0.00
assign (resid 24    and name HB#  ) (resid 25    and name HN   )    3.86    3.86    0.00
assign (resid 24    and name HB#  ) (resid 26    and name HN   )    4.40    4.40    0.00
assign (resid 24    and name HB#  ) (resid 27    and name HN   )    3.84    3.84    0.00
assign (resid 24    and name HB#  ) (resid 27    and name HB#  )    3.66    3.66    0.00
assign (resid 24    and name HB#  ) (resid 28    and name HN   )    3.51    3.51    0.00
assign (resid 24    and name HB#  ) (resid 29    and name HN   )    3.46    3.46    0.00
assign (resid 24    and name HB#  ) (resid 29    and name HD1  )    4.36    4.36    0.00
assign (resid 24    and name HB#  ) (resid 29    and name HE1  )    5.34    5.34    0.00
assign (resid 24    and name HB#  ) (resid 31    and name HN   )    5.03    5.03    0.00
assign (resid 24    and name HB#  ) (resid 31    and name HB1  )    4.41    4.41    0.00
assign (resid 24    and name HB#  ) (resid 31    and name HG#  )    4.31    4.31    0.00
assign (resid 24    and name HB#  ) (resid 31    and name HD#  )    3.25    3.25    0.00
assign (resid 25    and name HN   ) (resid 25    and name HG#  )    3.69    3.69    0.00
assign (resid 25    and name HA   ) (resid 25    and name HG#  )    3.55    3.55    0.00
assign (resid 26    and name HN   ) (resid 26    and name HB#  )    3.21    3.21    0.00
assign (resid 26    and name HN   ) (resid 26    and name HD## )    4.37    4.37    0.00
assign (resid 26    and name HA   ) (resid 26    and name HD## )    3.53    3.53    0.00
assign (resid 26    and name HB#  ) (resid 27    and name HN   )    3.39    3.39    0.00
assign (resid 26    and name HD## ) (resid 27    and name HN   )    4.55    4.55    0.00
assign (resid 26    and name HD## ) (resid 27    and name HD2  )    4.78    4.78    0.00
assign (resid 26    and name HD## ) (resid 27    and name HE1  )    5.44    5.44    0.00
assign (resid 27    and name HN   ) (resid 27    and name HB#  )    3.30    3.30    0.00
assign (resid 27    and name HB#  ) (resid 27    and name HD2  )    3.38    3.38    0.00
assign (resid 27    and name HB#  ) (resid 28    and name HN   )    4.05    4.05    0.00
assign (resid 27    and name HB#  ) (resid 29    and name HZ2  )    4.70    4.70    0.00
assign (resid 28    and name HN   ) (resid 28    and name HB#  )    3.63    3.63    0.00
assign (resid 28    and name HN   ) (resid 28    and name HG#  )    3.97    3.97    0.00
assign (resid 28    and name HA   ) (resid 28    and name HG#  )    3.41    3.41    0.00
assign (resid 31    and name HN   ) (resid 31    and name HG#  )    3.39    3.39    0.00
assign (resid 31    and name HA   ) (resid 31    and name HG#  )    3.64    3.64    0.00
assign (resid 31    and name HG#  ) (resid 32    and name HN   )    3.99    3.99    0.00
assign (resid 32    and name HN   ) (resid 32    and name HB#  )    3.01    3.01    0.00
assign (resid 32    and name HB#  ) (resid 33    and name HN   )    3.75    3.75    0.00
assign (resid 33    and name HN   ) (resid 33    and name HG## )    3.22    3.22    0.00
assign (resid 34    and name HN   ) (resid 34    and name HB#  )    3.27    3.27    0.00
!dihedral restraints 
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0   55.1   50.0 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    ) (resid 6     and name N    )    1.0   27.0   33.5 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0   60.0   20.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0   29.5   33.3 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0  -86.1   32.9 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  129.7   27.6 2
assign (resid 8     and name C    ) (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    )    1.0 -133.4   24.2 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0  147.8   27.6 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name CB   ) (resid 9     and name SG   )    1.0   60.0   30.0 2 
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0 -100.5   40.3 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  137.0   51.4 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  -29.6   30.0 2 
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0  -89.5   30.0 2 
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0    8.4   20.0 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0  -71.0   20.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    ) (resid 15    and name N    )    1.0  139.1   22.1 2
assign (resid 14    and name C    ) (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    )    1.0  -85.5   35.0 2 
assign (resid 15    and name N    ) (resid 15    and name CA   ) (resid 15    and name C    ) (resid 16    and name N    )    1.0  123.2   34.6 2
assign (resid 19    and name C    ) (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    )    1.0  -76.2   30.0 2
assign (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    ) (resid 21    and name N    )    1.0  -31.4   20.0 2 
assign (resid 20    and name C    ) (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    )    1.0 -134.5   25.6 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    ) (resid 22    and name N    )    1.0  139.9   20.0 2
assign (resid 21    and name C    ) (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    )    1.0 -106.4   41.3 2
assign (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    ) (resid 23    and name N    )    1.0  126.8   32.8 2
assign (resid 22    and name C    ) (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    )    1.0  -75.6   35.0 2 
assign (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    ) (resid 24    and name N    )    1.0  126.5   33.6 2
assign (resid 23    and name C    ) (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    )    1.0  -99.3   30.9 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    ) (resid 25    and name N    )    1.0  116.1   34.6 2
assign (resid 24    and name C    ) (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    )    1.0  -65.0   20.0 2
assign (resid 25    and name N    ) (resid 25    and name CA   ) (resid 25    and name C    ) (resid 26    and name N    )    1.0  -30.3   20.0 2
assign (resid 25    and name C    ) (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    )    1.0  -72.7   29.4 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0  -31.4   30.7 2
assign (resid 29    and name C    ) (resid 30    and name N    ) (resid 30    and name CA   ) (resid 30    and name C    )    1.0  -94.0   20.0 2
assign (resid 30    and name N    ) (resid 30    and name CA   ) (resid 30    and name C    ) (resid 31    and name N    )    1.0  122.1   21.6 2
assign (resid 30    and name N    ) (resid 30    and name CA   ) (resid 30    and name CB   ) (resid 30    and name SG   )    1.0  -60.0   30.0 2
assign (resid 30    and name C    ) (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    )    1.0 -117.9   30.4 2
assign (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    ) (resid 32    and name N    )    1.0  149.6   20.0 2
assign (resid 31    and name C    ) (resid 32    and name N    ) (resid 32    and name CA   ) (resid 32    and name C    )    1.0  -74.4   21.1 2
assign (resid 32    and name N    ) (resid 32    and name CA   ) (resid 32    and name C    ) (resid 33    and name N    )    1.0  134.4   20.5 2
!hydrogen bonds
assign (resid 24    and name H    ) (resid 29    and name O    )    2.30    2.30    0.00
assign (resid 24    and name N    ) (resid 29    and name O    )    3.30    3.30    0.00
assign (resid 22    and name O    ) (resid 31    and name H    )    2.30    2.30    0.00
assign (resid 22    and name O    ) (resid 31    and name N    )    3.30    3.30    0.00
assign (resid 20    and name O    ) (resid 33    and name H    )    2.30    2.30    0.00
assign (resid 20    and name O    ) (resid 33    and name N    )    3.30    3.30    0.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1          1HT       ASP   1  -7.981  11.192  -3.079
    2    H2   ASP   1          2HT       ASP   1  -9.133  12.089  -2.244
    3    H3   ASP   1          3HT       ASP   1  -9.022  10.394  -2.055
    4    HA   ASP   1           HA       ASP   1  -6.861  12.216  -1.287
    5    HB2  ASP   1          2HB       ASP   1  -8.902  10.777   0.439
    6    HB3  ASP   1          1HB       ASP   1  -7.480  11.619   1.045
    7    H    CYS   2           H        CYS   2  -5.019  11.113  -0.702
    8    HA   CYS   2           HA       CYS   2  -4.988   8.480  -1.716
    9    HB2  CYS   2          2HB       CYS   2  -2.847  10.352  -0.824
   10    HB3  CYS   2          1HB       CYS   2  -2.491   8.664  -1.155
   11    H    LEU   3           H        LEU   3  -5.454   6.791  -0.652
   12    HA   LEU   3           HA       LEU   3  -5.150   6.548   2.202
   13    HB2  LEU   3          2HB       LEU   3  -5.726   4.447   0.108
   14    HB3  LEU   3          1HB       LEU   3  -5.863   4.227   1.836
   15    HG   LEU   3           HG       LEU   3  -7.587   5.996   0.116
   16   HD11  LEU   3          1HD1      LEU   3  -8.211   3.440   1.584
   17   HD12  LEU   3          2HD1      LEU   3  -7.957   3.579  -0.149
   18   HD13  LEU   3          3HD1      LEU   3  -9.334   4.384   0.603
   19   HD21  LEU   3          1HD2      LEU   3  -7.692   5.422   3.078
   20   HD22  LEU   3          2HD2      LEU   3  -8.933   6.272   2.167
   21   HD23  LEU   3          3HD2      LEU   3  -7.323   6.973   2.320
   22    H    GLY   4           H        GLY   4  -3.533   5.395   3.217
   23    HA2  GLY   4          2HA       GLY   4  -1.919   3.518   2.652
   24    HA3  GLY   4          1HA       GLY   4  -1.290   4.682   1.496
   25    H    ALA   5           H        ALA   5   0.400   5.693   2.151
   26    HA   ALA   5           HA       ALA   5   2.132   6.283   3.411
   27    HB1  ALA   5          1HB       ALA   5   1.710   7.997   5.062
   28    HB2  ALA   5          2HB       ALA   5   0.022   7.506   5.185
   29    HB3  ALA   5          3HB       ALA   5   0.625   8.225   3.690
   30    H    PHE   6           H        PHE   6   2.183   3.869   3.790
   31    HA   PHE   6           HA       PHE   6   2.988   2.251   5.039
   32    HB2  PHE   6          2HB       PHE   6   3.286   4.363   7.181
   33    HB3  PHE   6          1HB       PHE   6   3.985   2.746   7.255
   34    HD1  PHE   6          1HD       PHE   6   4.287   6.075   5.877
   35    HD2  PHE   6          2HD       PHE   6   5.748   2.093   5.633
   36    HE1  PHE   6          1HE       PHE   6   6.242   6.874   4.632
   37    HE2  PHE   6          2HE       PHE   6   7.709   2.892   4.394
   38    HZ   PHE   6           HZ       PHE   6   7.960   5.284   3.890
   39    H    ARG   7           H        ARG   7   0.072   3.068   5.207
   40    HA   ARG   7           HA       ARG   7  -0.814   1.772   7.617
   41    HB2  ARG   7          2HB       ARG   7  -2.185   2.743   5.130
   42    HB3  ARG   7          1HB       ARG   7  -3.032   1.655   6.216
   43    HG2  ARG   7          2HG       ARG   7  -1.806   4.233   7.153
   44    HG3  ARG   7          1HG       ARG   7  -3.451   4.136   6.522
   45    HD2  ARG   7          2HD       ARG   7  -2.371   2.587   8.884
   46    HD3  ARG   7          1HD       ARG   7  -3.421   4.001   8.970
   47    HE   ARG   7           HE       ARG   7  -4.574   1.992   7.343
   48   HH11  ARG   7          1HH1      ARG   7  -4.045   2.766  10.763
   49   HH12  ARG   7          2HH1      ARG   7  -5.411   1.906  11.300
   50   HH21  ARG   7          1HH2      ARG   7  -6.421   0.803   8.091
   51   HH22  ARG   7          2HH2      ARG   7  -6.788   0.738   9.749
   52    H    LYS   8           H        LYS   8  -1.300  -0.372   7.888
   53    HA   LYS   8           HA       LYS   8  -0.090  -2.122   6.069
   54    HB2  LYS   8          2HB       LYS   8  -1.814  -2.743   8.459
   55    HB3  LYS   8          1HB       LYS   8  -0.978  -3.966   7.504
   56    HG2  LYS   8          2HG       LYS   8   1.158  -2.820   7.975
   57    HG3  LYS   8          1HG       LYS   8   0.294  -1.707   9.029
   58    HD2  LYS   8          2HD       LYS   8  -0.424  -3.614  10.397
   59    HD3  LYS   8          1HD       LYS   8   0.508  -4.690   9.356
   60    HE2  LYS   8          2HE       LYS   8   1.790  -4.153  11.355
   61    HE3  LYS   8          1HE       LYS   8   2.555  -3.455   9.929
   62    HZ1  LYS   8          1HZ       LYS   8   0.807  -1.997  11.824
   63    HZ2  LYS   8          2HZ       LYS   8   1.649  -1.309  10.516
   64    HZ3  LYS   8          3HZ       LYS   8   2.487  -1.946  11.818
   65    H    CYS   9           H        CYS   9  -0.823  -3.638   4.725
   66    HA   CYS   9           HA       CYS   9  -3.409  -2.895   3.544
   67    HB2  CYS   9          2HB       CYS   9  -2.294  -3.373   1.412
   68    HB3  CYS   9          1HB       CYS   9  -1.568  -2.029   2.298
   69    H    ILE  10           H        ILE  10  -4.630  -4.466   2.574
   70    HA   ILE  10           HA       ILE  10  -3.989  -7.262   3.117
   71    HB   ILE  10           HB       ILE  10  -6.564  -5.965   2.151
   72   HG12  ILE  10          2HG1      ILE  10  -6.083  -5.261   4.439
   73   HG13  ILE  10          1HG1      ILE  10  -7.452  -6.364   4.408
   74   HG21  ILE  10          1HG2      ILE  10  -6.379  -8.279   1.449
   75   HG22  ILE  10          2HG2      ILE  10  -7.635  -8.091   2.673
   76   HG23  ILE  10          3HG2      ILE  10  -6.069  -8.772   3.117
   77   HD11  ILE  10          1HD1      ILE  10  -4.632  -7.020   5.230
   78   HD12  ILE  10          2HD1      ILE  10  -5.957  -8.180   5.143
   79   HD13  ILE  10          3HD1      ILE  10  -6.026  -6.848   6.295
   80    HA   PRO  11           HA       PRO  11  -2.497  -7.079  -1.180
   81    HB2  PRO  11          2HB       PRO  11  -2.434 -10.019  -0.791
   82    HB3  PRO  11          1HB       PRO  11  -1.164  -8.934  -1.363
   83    HG2  PRO  11          2HG       PRO  11  -1.086  -9.948   1.097
   84    HG3  PRO  11          1HG       PRO  11  -0.576  -8.282   0.782
   85    HD2  PRO  11          2HD       PRO  11  -3.093  -9.286   2.022
   86    HD3  PRO  11          1HD       PRO  11  -2.137  -7.844   2.397
   87    H    ASP  12           H        ASP  12  -5.043  -9.290  -0.080
   88    HA   ASP  12           HA       ASP  12  -5.827  -9.955  -2.767
   89    HB2  ASP  12          2HB       ASP  12  -7.081 -10.635  -0.115
   90    HB3  ASP  12          1HB       ASP  12  -7.862 -11.024  -1.641
   91    H    ASN  13           H        ASN  13  -6.436  -7.323  -0.856
   92    HA   ASN  13           HA       ASN  13  -8.154  -6.260  -2.829
   93    HB2  ASN  13          2HB       ASN  13  -9.930  -5.440  -1.175
   94    HB3  ASN  13          1HB       ASN  13 -10.001  -7.142  -1.584
   95   HD21  ASN  13          1HD2      ASN  13  -9.358  -4.821   0.927
   96   HD22  ASN  13          2HD2      ASN  13  -9.358  -5.944   2.230
   97    H    ASP  14           H        ASP  14  -6.218  -5.271  -3.040
   98    HA   ASP  14           HA       ASP  14  -5.151  -3.648  -0.962
   99    HB2  ASP  14          2HB       ASP  14  -3.669  -4.667  -2.570
  100    HB3  ASP  14          1HB       ASP  14  -4.452  -3.802  -3.888
  101    H    LYS  15           H        LYS  15  -5.902  -1.825  -0.358
  102    HA   LYS  15           HA       LYS  15  -6.975   0.036  -2.316
  103    HB2  LYS  15          2HB       LYS  15  -7.948  -0.427   0.510
  104    HB3  LYS  15          1HB       LYS  15  -8.417   0.947  -0.481
  105    HG2  LYS  15          2HG       LYS  15  -9.478  -0.520  -2.086
  106    HG3  LYS  15          1HG       LYS  15  -8.918  -1.938  -1.204
  107    HD2  LYS  15          2HD       LYS  15 -11.268  -1.496  -0.716
  108    HD3  LYS  15          1HD       LYS  15 -10.289  -1.279   0.728
  109    HE2  LYS  15          2HE       LYS  15 -11.933   0.494   0.588
  110    HE3  LYS  15          1HE       LYS  15 -10.332   1.175   0.336
  111    HZ1  LYS  15          1HZ       LYS  15 -12.295   0.528  -1.799
  112    HZ2  LYS  15          2HZ       LYS  15 -10.774   1.221  -2.051
  113    HZ3  LYS  15          3HZ       LYS  15 -11.949   2.066  -1.212
  114    H    CYS  16           H        CYS  16  -4.970   0.992  -2.554
  115    HA   CYS  16           HA       CYS  16  -4.319   2.844  -0.397
  116    HB2  CYS  16          2HB       CYS  16  -2.243   1.664  -2.297
  117    HB3  CYS  16          1HB       CYS  16  -1.944   2.646  -0.875
  118    H    CYS  17           H        CYS  17  -2.910   4.673  -1.734
  119    HA   CYS  17           HA       CYS  17  -4.752   5.484  -3.791
  120    HB2  CYS  17          2HB       CYS  17  -3.623   6.997  -2.077
  121    HB3  CYS  17          1HB       CYS  17  -2.175   6.827  -3.054
  122    H    ARG  18           H        ARG  18  -4.387   3.808  -5.345
  123    HA   ARG  18           HA       ARG  18  -1.790   3.539  -6.519
  124    HB2  ARG  18          2HB       ARG  18  -4.483   2.462  -7.372
  125    HB3  ARG  18          1HB       ARG  18  -3.009   2.154  -8.267
  126    HG2  ARG  18          2HG       ARG  18  -2.074   1.113  -6.184
  127    HG3  ARG  18          1HG       ARG  18  -3.682   1.263  -5.475
  128    HD2  ARG  18          2HD       ARG  18  -4.618  -0.079  -7.292
  129    HD3  ARG  18          1HD       ARG  18  -3.024  -0.206  -8.020
  130    HE   ARG  18           HE       ARG  18  -3.012  -1.181  -5.337
  131   HH11  ARG  18          1HH1      ARG  18  -3.994  -2.141  -8.614
  132   HH12  ARG  18          2HH1      ARG  18  -3.797  -3.808  -8.275
  133   HH21  ARG  18          1HH2      ARG  18  -2.766  -3.317  -4.959
  134   HH22  ARG  18          2HH2      ARG  18  -3.085  -4.538  -6.140
  135    HA   PRO  19           HA       PRO  19  -1.043   2.899  -8.505
  136    HB2  PRO  19          2HB       PRO  19   0.574   3.655 -10.455
  137    HB3  PRO  19          1HB       PRO  19  -1.087   3.170 -10.813
  138    HG2  PRO  19          2HG       PRO  19   0.103   5.899 -10.707
  139    HG3  PRO  19          1HG       PRO  19  -1.154   5.264 -11.780
  140    HD2  PRO  19          2HD       PRO  19  -1.554   6.790  -9.439
  141    HD3  PRO  19          1HD       PRO  19  -2.795   5.906 -10.344
  142    H    ASN  20           H        ASN  20  -0.698   5.677  -7.034
  143    HA   ASN  20           HA       ASN  20   2.170   6.020  -7.053
  144    HB2  ASN  20          2HB       ASN  20   0.018   7.387  -5.441
  145    HB3  ASN  20          1HB       ASN  20   1.729   7.788  -5.342
  146   HD21  ASN  20          1HD2      ASN  20   2.227   7.437  -8.209
  147   HD22  ASN  20          2HD2      ASN  20   1.461   8.775  -8.969
  148    H    LEU  21           H        LEU  21  -0.217   4.719  -4.848
  149    HA   LEU  21           HA       LEU  21   2.006   3.557  -3.340
  150    HB2  LEU  21          2HB       LEU  21  -0.661   4.440  -2.203
  151    HB3  LEU  21          1HB       LEU  21   0.554   3.540  -1.339
  152    HG   LEU  21           HG       LEU  21   2.098   5.555  -1.763
  153   HD11  LEU  21          1HD1      LEU  21  -0.543   6.941  -2.071
  154   HD12  LEU  21          2HD1      LEU  21   0.611   6.680  -3.379
  155   HD13  LEU  21          3HD1      LEU  21   1.052   7.692  -2.001
  156   HD21  LEU  21          1HD2      LEU  21  -0.244   5.748   0.090
  157   HD22  LEU  21          2HD2      LEU  21   1.281   6.626   0.245
  158   HD23  LEU  21          3HD2      LEU  21   1.254   4.868   0.395
  159    H    VAL  22           H        VAL  22   1.899   1.445  -2.987
  160    HA   VAL  22           HA       VAL  22  -0.559  -0.008  -3.666
  161    HB   VAL  22           HB       VAL  22   2.211  -0.804  -4.668
  162   HG11  VAL  22          1HG1      VAL  22   0.799  -2.715  -4.235
  163   HG12  VAL  22          2HG1      VAL  22   1.060  -2.524  -5.971
  164   HG13  VAL  22          3HG1      VAL  22  -0.477  -2.036  -5.247
  165   HG21  VAL  22          1HG2      VAL  22   1.410  -0.328  -6.934
  166   HG22  VAL  22          2HG2      VAL  22   1.429   1.120  -5.924
  167   HG23  VAL  22          3HG2      VAL  22  -0.097   0.301  -6.264
  168    H    CYS  23           H        CYS  23  -0.740  -1.991  -2.477
  169    HA   CYS  23           HA       CYS  23   0.475  -2.194   0.004
  170    HB2  CYS  23          2HB       CYS  23  -1.585  -3.378  -0.564
  171    HB3  CYS  23          1HB       CYS  23  -0.707  -4.367  -1.717
  172    H    SER  24           H        SER  24   2.676  -2.368   0.265
  173    HA   SER  24           HA       SER  24   4.091  -4.135  -1.469
  174    HB2  SER  24          2HB       SER  24   4.866  -2.443   0.885
  175    HB3  SER  24          1HB       SER  24   5.996  -3.308  -0.165
  176    HG   SER  24           HG       SER  24   4.103  -1.737  -1.401
  177    H    ARG  25           H        ARG  25   3.715  -6.128  -1.079
  178    HA   ARG  25           HA       ARG  25   2.519  -7.160   1.218
  179    HB2  ARG  25          2HB       ARG  25   3.982  -8.640  -0.958
  180    HB3  ARG  25          1HB       ARG  25   2.898  -9.369   0.223
  181    HG2  ARG  25          2HG       ARG  25   1.052  -8.020  -0.621
  182    HG3  ARG  25          1HG       ARG  25   2.126  -7.269  -1.792
  183    HD2  ARG  25          2HD       ARG  25   2.519  -9.492  -2.793
  184    HD3  ARG  25          1HD       ARG  25   1.357 -10.176  -1.650
  185    HE   ARG  25           HE       ARG  25   0.280  -7.975  -3.075
  186   HH11  ARG  25          1HH1      ARG  25   0.872 -11.436  -3.380
  187   HH12  ARG  25          2HH1      ARG  25  -0.328 -11.670  -4.569
  188   HH21  ARG  25          1HH2      ARG  25  -1.384  -8.317  -4.708
  189   HH22  ARG  25          2HH2      ARG  25  -1.615  -9.886  -5.319
  190    H    LEU  26           H        LEU  26   5.894  -7.117   0.262
  191    HA   LEU  26           HA       LEU  26   6.775  -8.813   2.389
  192    HB2  LEU  26          2HB       LEU  26   8.371  -6.802   0.810
  193    HB3  LEU  26          1HB       LEU  26   9.012  -8.084   1.810
  194    HG   LEU  26           HG       LEU  26   7.476  -8.451  -0.755
  195   HD11  LEU  26          1HD1      LEU  26   9.612  -9.245  -1.623
  196   HD12  LEU  26          2HD1      LEU  26  10.372  -8.886  -0.069
  197   HD13  LEU  26          3HD1      LEU  26   9.730  -7.578  -1.052
  198   HD21  LEU  26          1HD2      LEU  26   8.761 -10.471   1.079
  199   HD22  LEU  26          2HD2      LEU  26   8.082 -10.820  -0.511
  200   HD23  LEU  26          3HD2      LEU  26   7.030 -10.280   0.797
  201    H    HIS  27           H        HIS  27   6.325  -5.402   2.008
  202    HA   HIS  27           HA       HIS  27   7.623  -4.826   4.526
  203    HB2  HIS  27          2HB       HIS  27   6.216  -3.005   2.561
  204    HB3  HIS  27          1HB       HIS  27   6.954  -2.444   4.058
  205    HD1  HIS  27          1HD       HIS  27   9.641  -2.745   4.194
  206    HD2  HIS  27          2HD       HIS  27   7.938  -3.317   0.447
  207    HE1  HIS  27          1HE       HIS  27  11.540  -2.703   2.531
  208    H    ARG  28           H        ARG  28   4.488  -5.297   3.284
  209    HA   ARG  28           HA       ARG  28   2.594  -5.933   4.255
  210    HB2  ARG  28          2HB       ARG  28   3.956  -5.365   6.884
  211    HB3  ARG  28          1HB       ARG  28   2.280  -5.874   6.780
  212    HG2  ARG  28          2HG       ARG  28   4.527  -7.473   5.573
  213    HG3  ARG  28          1HG       ARG  28   4.009  -7.676   7.245
  214    HD2  ARG  28          2HD       ARG  28   2.974  -9.326   5.741
  215    HD3  ARG  28          1HD       ARG  28   1.786  -8.284   6.521
  216    HE   ARG  28           HE       ARG  28   2.720  -7.910   3.766
  217   HH11  ARG  28          1HH1      ARG  28   0.052  -8.416   6.023
  218   HH12  ARG  28          2HH1      ARG  28  -1.162  -7.759   5.047
  219   HH21  ARG  28          1HH2      ARG  28   0.959  -6.911   2.337
  220   HH22  ARG  28          2HH2      ARG  28  -0.615  -6.838   2.981
  221    H    TRP  29           H        TRP  29   3.500  -3.090   3.630
  222    HA   TRP  29           HA       TRP  29   0.984  -1.933   4.492
  223    HB2  TRP  29          2HB       TRP  29   2.147   0.225   5.074
  224    HB3  TRP  29          1HB       TRP  29   2.368  -1.098   6.206
  225    HD1  TRP  29           HD       TRP  29   4.377   0.327   3.158
  226    HE1  TRP  29          1HE       TRP  29   6.875   0.268   3.785
  227    HE3  TRP  29          3HE       TRP  29   3.987  -1.737   7.816
  228    HZ2  TRP  29          2HZ       TRP  29   8.466  -0.552   5.988
  229    HZ3  TRP  29          3HZ       TRP  29   6.041  -2.117   9.120
  230    HH2  TRP  29           HH       TRP  29   8.229  -1.534   8.215
  231    H    CYS  30           H        CYS  30   0.472   0.092   3.476
  232    HA   CYS  30           HA       CYS  30   0.818   0.088   0.632
  233    HB2  CYS  30          2HB       CYS  30  -0.230   2.152   2.555
  234    HB3  CYS  30          1HB       CYS  30  -0.295   2.381   0.832
  235    H    LYS  31           H        LYS  31   2.829   0.626  -0.160
  236    HA   LYS  31           HA       LYS  31   4.079   2.930   1.135
  237    HB2  LYS  31          2HB       LYS  31   6.145   1.909   1.120
  238    HB3  LYS  31          1HB       LYS  31   5.196   0.459   1.037
  239    HG2  LYS  31          2HG       LYS  31   5.459   0.336  -1.358
  240    HG3  LYS  31          1HG       LYS  31   6.341   1.863  -1.363
  241    HD2  LYS  31          2HD       LYS  31   8.085   0.833   0.039
  242    HD3  LYS  31          1HD       LYS  31   7.183  -0.689  -0.003
  243    HE2  LYS  31          2HE       LYS  31   8.350   0.751  -2.387
  244    HE3  LYS  31          1HE       LYS  31   9.008  -0.693  -1.625
  245    HZ1  LYS  31          1HZ       LYS  31   6.400  -0.470  -3.026
  246    HZ2  LYS  31          2HZ       LYS  31   6.890  -1.833  -2.212
  247    HZ3  LYS  31          3HZ       LYS  31   7.750  -1.313  -3.566
  248    H    TYR  32           H        TYR  32   5.482   4.115  -0.435
  249    HA   TYR  32           HA       TYR  32   3.864   4.735  -2.732
  250    HB2  TYR  32          2HB       TYR  32   6.456   5.920  -1.692
  251    HB3  TYR  32          1HB       TYR  32   5.534   6.548  -3.048
  252    HD1  TYR  32          1HD       TYR  32   3.861   8.134  -2.684
  253    HD2  TYR  32          2HD       TYR  32   5.271   5.855   0.619
  254    HE1  TYR  32          1HE       TYR  32   2.543   9.522  -1.174
  255    HE2  TYR  32          2HE       TYR  32   3.947   7.244   2.149
  256    HH   TYR  32           HH       TYR  32   1.524   9.307   1.058
  257    H    VAL  33           H        VAL  33   4.491   4.392  -4.826
  258    HA   VAL  33           HA       VAL  33   6.470   2.388  -5.319
  259    HB   VAL  33           HB       VAL  33   5.076   4.198  -7.340
  260   HG11  VAL  33          1HG1      VAL  33   6.452   1.534  -7.723
  261   HG12  VAL  33          2HG1      VAL  33   7.043   3.096  -8.291
  262   HG13  VAL  33          3HG1      VAL  33   5.562   2.411  -8.967
  263   HG21  VAL  33          1HG2      VAL  33   3.468   2.959  -5.991
  264   HG22  VAL  33          2HG2      VAL  33   4.295   1.447  -6.377
  265   HG23  VAL  33          3HG2      VAL  33   3.494   2.369  -7.650
  266    H    PHE  34           H        PHE  34   6.442   5.753  -5.032
  267    HA   PHE  34           HA       PHE  34   9.087   6.050  -6.205
  268    HB2  PHE  34          2HB       PHE  34   7.343   8.141  -4.881
  269    HB3  PHE  34          1HB       PHE  34   8.787   8.433  -5.838
  270    HD1  PHE  34          1HD       PHE  34   5.354   8.613  -5.844
  271    HD2  PHE  34          2HD       PHE  34   8.576   7.334  -8.305
  272    HE1  PHE  34          1HE       PHE  34   3.936   8.884  -7.829
  273    HE2  PHE  34          2HE       PHE  34   7.168   7.603 -10.295
  274    HZ   PHE  34           HZ       PHE  34   4.848   8.382 -10.065
  Start of MODEL    2
    1    H1   ASP   1          1HT       ASP   1  -7.643  13.266   0.504
    2    H2   ASP   1          2HT       ASP   1  -6.926  14.192   1.761
    3    H3   ASP   1          3HT       ASP   1  -7.741  12.753   2.090
    4    HA   ASP   1           HA       ASP   1  -5.338  12.822   0.433
    5    HB2  ASP   1          2HB       ASP   1  -5.687  11.963   3.318
    6    HB3  ASP   1          1HB       ASP   1  -4.236  11.731   2.356
    7    H    CYS   2           H        CYS   2  -4.946  10.862  -0.506
    8    HA   CYS   2           HA       CYS   2  -6.977   8.876  -0.098
    9    HB2  CYS   2          2HB       CYS   2  -5.763   7.758  -2.052
   10    HB3  CYS   2          1HB       CYS   2  -6.617   9.255  -2.392
   11    H    LEU   3           H        LEU   3  -6.224   6.519   0.046
   12    HA   LEU   3           HA       LEU   3  -4.847   6.369   2.486
   13    HB2  LEU   3          2HB       LEU   3  -5.589   4.130   0.630
   14    HB3  LEU   3          1HB       LEU   3  -5.100   3.950   2.299
   15    HG   LEU   3           HG       LEU   3  -7.600   5.299   1.314
   16   HD11  LEU   3          1HD1      LEU   3  -7.215   2.741   2.855
   17   HD12  LEU   3          2HD1      LEU   3  -7.714   2.887   1.170
   18   HD13  LEU   3          3HD1      LEU   3  -8.767   3.478   2.456
   19   HD21  LEU   3          1HD2      LEU   3  -8.206   5.467   3.707
   20   HD22  LEU   3          2HD2      LEU   3  -6.812   6.455   3.279
   21   HD23  LEU   3          3HD2      LEU   3  -6.581   4.924   4.130
   22    H    GLY   4           H        GLY   4  -2.925   5.884   3.051
   23    HA2  GLY   4          2HA       GLY   4  -0.961   4.639   1.487
   24    HA3  GLY   4          1HA       GLY   4  -0.799   6.398   1.402
   25    H    ALA   5           H        ALA   5   0.693   7.079   2.705
   26    HA   ALA   5           HA       ALA   5   2.106   7.314   4.455
   27    HB1  ALA   5          1HB       ALA   5   1.026   7.815   6.532
   28    HB2  ALA   5          2HB       ALA   5  -0.443   6.984   6.009
   29    HB3  ALA   5          3HB       ALA   5   0.074   8.467   5.195
   30    H    PHE   6           H        PHE   6   1.968   4.600   3.606
   31    HA   PHE   6           HA       PHE   6   2.736   2.549   4.154
   32    HB2  PHE   6          2HB       PHE   6   3.746   3.961   6.630
   33    HB3  PHE   6          1HB       PHE   6   4.235   2.358   6.099
   34    HD1  PHE   6          1HD       PHE   6   5.636   2.090   4.129
   35    HD2  PHE   6          2HD       PHE   6   4.584   5.936   5.600
   36    HE1  PHE   6          1HE       PHE   6   7.447   3.085   2.812
   37    HE2  PHE   6          2HE       PHE   6   6.395   6.939   4.278
   38    HZ   PHE   6           HZ       PHE   6   7.830   5.512   2.884
   39    H    ARG   7           H        ARG   7  -0.003   3.190   4.933
   40    HA   ARG   7           HA       ARG   7  -0.312   1.901   7.482
   41    HB2  ARG   7          2HB       ARG   7  -2.377   2.753   5.451
   42    HB3  ARG   7          1HB       ARG   7  -2.759   2.050   7.014
   43    HG2  ARG   7          2HG       ARG   7  -1.308   4.660   6.563
   44    HG3  ARG   7          1HG       ARG   7  -2.998   4.485   7.021
   45    HD2  ARG   7          2HD       ARG   7  -1.823   5.002   9.024
   46    HD3  ARG   7          1HD       ARG   7  -2.185   3.283   9.095
   47    HE   ARG   7           HE       ARG   7   0.433   4.064   8.097
   48   HH11  ARG   7          1HH1      ARG   7  -1.463   2.745  10.804
   49   HH12  ARG   7          2HH1      ARG   7  -0.118   2.212  11.687
   50   HH21  ARG   7          1HH2      ARG   7   2.328   3.294   9.364
   51   HH22  ARG   7          2HH2      ARG   7   2.058   2.583  10.878
   52    H    LYS   8           H        LYS   8  -1.334  -0.075   7.835
   53    HA   LYS   8           HA       LYS   8  -0.234  -2.040   6.136
   54    HB2  LYS   8          2HB       LYS   8  -1.945  -2.263   8.592
   55    HB3  LYS   8          1HB       LYS   8  -1.277  -3.651   7.739
   56    HG2  LYS   8          2HG       LYS   8   0.972  -2.835   8.110
   57    HG3  LYS   8          1HG       LYS   8   0.335  -1.401   8.912
   58    HD2  LYS   8          2HD       LYS   8  -0.595  -2.766  10.676
   59    HD3  LYS   8          1HD       LYS   8  -0.079  -4.235   9.841
   60    HE2  LYS   8          2HE       LYS   8   2.238  -3.597  10.077
   61    HE3  LYS   8          1HE       LYS   8   1.768  -2.066  10.811
   62    HZ1  LYS   8          1HZ       LYS   8   0.854  -3.264  12.669
   63    HZ2  LYS   8          2HZ       LYS   8   2.454  -3.723  12.450
   64    HZ3  LYS   8          3HZ       LYS   8   1.223  -4.747  11.957
   65    H    CYS   9           H        CYS   9  -1.050  -3.365   4.739
   66    HA   CYS   9           HA       CYS   9  -3.910  -3.214   4.161
   67    HB2  CYS   9          2HB       CYS   9  -3.205  -3.215   1.712
   68    HB3  CYS   9          1HB       CYS   9  -2.990  -1.709   2.602
   69    H    ILE  10           H        ILE  10  -4.698  -5.018   2.905
   70    HA   ILE  10           HA       ILE  10  -3.105  -7.466   3.122
   71    HB   ILE  10           HB       ILE  10  -5.993  -7.036   2.243
   72   HG12  ILE  10          2HG1      ILE  10  -5.710  -6.585   4.629
   73   HG13  ILE  10          1HG1      ILE  10  -6.643  -8.053   4.386
   74   HG21  ILE  10          1HG2      ILE  10  -6.252  -9.479   2.391
   75   HG22  ILE  10          2HG2      ILE  10  -4.531  -9.630   2.746
   76   HG23  ILE  10          3HG2      ILE  10  -5.056  -9.012   1.180
   77   HD11  ILE  10          1HD1      ILE  10  -5.065  -8.301   6.218
   78   HD12  ILE  10          2HD1      ILE  10  -3.727  -7.908   5.137
   79   HD13  ILE  10          3HD1      ILE  10  -4.653  -9.390   4.893
   80    HA   PRO  11           HA       PRO  11  -1.469  -6.206  -0.834
   81    HB2  PRO  11          2HB       PRO  11  -1.108  -9.144  -1.075
   82    HB3  PRO  11          1HB       PRO  11   0.048  -7.846  -1.422
   83    HG2  PRO  11          2HG       PRO  11   0.264  -9.211   0.821
   84    HG3  PRO  11          1HG       PRO  11   0.448  -7.445   0.843
   85    HD2  PRO  11          2HD       PRO  11  -1.847  -9.120   1.751
   86    HD3  PRO  11          1HD       PRO  11  -1.198  -7.610   2.424
   87    H    ASP  12           H        ASP  12  -3.593  -9.022  -0.811
   88    HA   ASP  12           HA       ASP  12  -4.145  -8.694  -3.647
   89    HB2  ASP  12          2HB       ASP  12  -5.043 -10.767  -1.657
   90    HB3  ASP  12          1HB       ASP  12  -5.665 -10.711  -3.298
   91    H    ASN  13           H        ASN  13  -5.368  -7.174  -1.023
   92    HA   ASN  13           HA       ASN  13  -7.934  -6.615  -2.358
   93    HB2  ASN  13          2HB       ASN  13  -7.675  -7.396   0.567
   94    HB3  ASN  13          1HB       ASN  13  -9.136  -6.782  -0.187
   95   HD21  ASN  13          1HD2      ASN  13 -10.269  -8.121  -1.576
   96   HD22  ASN  13          2HD2      ASN  13 -10.027  -9.835  -1.613
   97    H    ASP  14           H        ASP  14  -5.379  -5.252  -1.927
   98    HA   ASP  14           HA       ASP  14  -5.527  -3.609   0.379
   99    HB2  ASP  14          2HB       ASP  14  -3.514  -2.629  -0.288
  100    HB3  ASP  14          1HB       ASP  14  -3.413  -4.303  -0.821
  101    H    LYS  15           H        LYS  15  -5.879  -1.487   0.618
  102    HA   LYS  15           HA       LYS  15  -7.000  -0.084  -1.667
  103    HB2  LYS  15          2HB       LYS  15  -7.774   0.270   1.239
  104    HB3  LYS  15          1HB       LYS  15  -8.366   1.239  -0.096
  105    HG2  LYS  15          2HG       LYS  15  -9.407  -0.797  -1.046
  106    HG3  LYS  15          1HG       LYS  15  -8.914  -1.679   0.401
  107    HD2  LYS  15          2HD       LYS  15 -10.701   0.754   0.336
  108    HD3  LYS  15          1HD       LYS  15 -11.254  -0.905   0.533
  109    HE2  LYS  15          2HE       LYS  15  -9.433   0.587   2.440
  110    HE3  LYS  15          1HE       LYS  15 -11.155   0.326   2.664
  111    HZ1  LYS  15          1HZ       LYS  15 -10.756  -2.046   2.728
  112    HZ2  LYS  15          2HZ       LYS  15  -9.891  -1.268   3.921
  113    HZ3  LYS  15          3HZ       LYS  15  -9.099  -1.820   2.536
  114    H    CYS  16           H        CYS  16  -5.091   0.777  -2.209
  115    HA   CYS  16           HA       CYS  16  -4.113   2.861  -0.428
  116    HB2  CYS  16          2HB       CYS  16  -2.376   1.112  -2.227
  117    HB3  CYS  16          1HB       CYS  16  -1.807   2.419  -1.204
  118    H    CYS  17           H        CYS  17  -3.233   4.629  -1.680
  119    HA   CYS  17           HA       CYS  17  -4.897   5.370  -3.822
  120    HB2  CYS  17          2HB       CYS  17  -3.819   6.822  -2.067
  121    HB3  CYS  17          1HB       CYS  17  -2.314   6.627  -2.941
  122    H    ARG  18           H        ARG  18  -4.483   3.678  -5.391
  123    HA   ARG  18           HA       ARG  18  -1.875   3.471  -6.589
  124    HB2  ARG  18          2HB       ARG  18  -2.968   1.977  -8.286
  125    HB3  ARG  18          1HB       ARG  18  -3.165   1.444  -6.629
  126    HG2  ARG  18          2HG       ARG  18  -5.355   3.107  -7.619
  127    HG3  ARG  18          1HG       ARG  18  -5.118   1.600  -8.513
  128    HD2  ARG  18          2HD       ARG  18  -5.385   1.816  -5.519
  129    HD3  ARG  18          1HD       ARG  18  -6.681   1.344  -6.622
  130    HE   ARG  18           HE       ARG  18  -5.224  -0.544  -7.280
  131   HH11  ARG  18          1HH1      ARG  18  -4.619   0.956  -4.135
  132   HH12  ARG  18          2HH1      ARG  18  -4.031  -0.547  -3.466
  133   HH21  ARG  18          1HH2      ARG  18  -4.474  -2.520  -6.263
  134   HH22  ARG  18          2HH2      ARG  18  -3.997  -2.484  -4.621
  135    HA   PRO  19           HA       PRO  19  -1.169   2.734  -8.572
  136    HB2  PRO  19          2HB       PRO  19   0.278   3.338 -10.711
  137    HB3  PRO  19          1HB       PRO  19  -1.399   2.813 -10.887
  138    HG2  PRO  19          2HG       PRO  19  -0.233   5.530 -11.161
  139    HG3  PRO  19          1HG       PRO  19  -1.618   4.809 -11.994
  140    HD2  PRO  19          2HD       PRO  19  -1.667   6.534  -9.729
  141    HD3  PRO  19          1HD       PRO  19  -3.046   5.694 -10.464
  142    H    ASN  20           H        ASN  20  -0.770   5.579  -7.346
  143    HA   ASN  20           HA       ASN  20   2.089   5.886  -7.484
  144    HB2  ASN  20          2HB       ASN  20   0.016   7.337  -5.825
  145    HB3  ASN  20          1HB       ASN  20   1.735   7.692  -5.755
  146   HD21  ASN  20          1HD2      ASN  20   1.362   9.816  -6.437
  147   HD22  ASN  20          2HD2      ASN  20   0.984  10.183  -8.077
  148    H    LEU  21           H        LEU  21  -0.281   4.673  -5.229
  149    HA   LEU  21           HA       LEU  21   1.891   3.710  -3.514
  150    HB2  LEU  21          2HB       LEU  21  -0.917   4.401  -2.645
  151    HB3  LEU  21          1HB       LEU  21   0.435   3.970  -1.628
  152    HG   LEU  21           HG       LEU  21   0.194   6.532  -3.212
  153   HD11  LEU  21          1HD1      LEU  21   0.063   7.617  -1.067
  154   HD12  LEU  21          2HD1      LEU  21   0.216   6.059  -0.264
  155   HD13  LEU  21          3HD1      LEU  21  -1.234   6.418  -1.202
  156   HD21  LEU  21          1HD2      LEU  21   2.240   7.190  -2.056
  157   HD22  LEU  21          2HD2      LEU  21   2.482   5.814  -3.127
  158   HD23  LEU  21          3HD2      LEU  21   2.371   5.564  -1.382
  159    H    VAL  22           H        VAL  22   1.963   1.609  -3.399
  160    HA   VAL  22           HA       VAL  22  -0.458   0.042  -3.893
  161    HB   VAL  22           HB       VAL  22   0.876  -1.687  -5.071
  162   HG11  VAL  22          1HG1      VAL  22   1.030   1.039  -6.337
  163   HG12  VAL  22          2HG1      VAL  22  -0.335  -0.078  -6.413
  164   HG13  VAL  22          3HG1      VAL  22   1.195  -0.492  -7.194
  165   HG21  VAL  22          1HG2      VAL  22   3.068  -1.200  -4.133
  166   HG22  VAL  22          2HG2      VAL  22   3.098   0.349  -4.970
  167   HG23  VAL  22          3HG2      VAL  22   3.133  -1.152  -5.896
  168    H    CYS  23           H        CYS  23  -0.255  -2.167  -2.975
  169    HA   CYS  23           HA       CYS  23   0.685  -1.860  -0.284
  170    HB2  CYS  23          2HB       CYS  23  -1.456  -2.988  -0.997
  171    HB3  CYS  23          1HB       CYS  23  -0.474  -4.317  -1.590
  172    H    SER  24           H        SER  24   2.537  -2.597   0.535
  173    HA   SER  24           HA       SER  24   4.482  -3.992  -1.046
  174    HB2  SER  24          2HB       SER  24   5.154  -2.393   0.745
  175    HB3  SER  24          1HB       SER  24   4.373  -3.411   1.946
  176    HG   SER  24           HG       SER  24   6.808  -3.634   0.727
  177    H    ARG  25           H        ARG  25   4.462  -6.206  -1.315
  178    HA   ARG  25           HA       ARG  25   2.389  -7.622  -0.001
  179    HB2  ARG  25          2HB       ARG  25   3.018  -9.594  -1.228
  180    HB3  ARG  25          1HB       ARG  25   3.016  -8.206  -2.296
  181    HG2  ARG  25          2HG       ARG  25   5.428  -8.138  -2.272
  182    HG3  ARG  25          1HG       ARG  25   5.474  -9.436  -1.072
  183    HD2  ARG  25          2HD       ARG  25   4.286 -10.884  -2.669
  184    HD3  ARG  25          1HD       ARG  25   4.412  -9.608  -3.881
  185    HE   ARG  25           HE       ARG  25   6.954 -10.016  -3.080
  186   HH11  ARG  25          1HH1      ARG  25   4.411 -12.109  -4.343
  187   HH12  ARG  25          2HH1      ARG  25   5.455 -13.244  -5.049
  188   HH21  ARG  25          1HH2      ARG  25   8.433 -11.562  -4.064
  189   HH22  ARG  25          2HH2      ARG  25   7.823 -12.919  -4.889
  190    H    LEU  26           H        LEU  26   5.833  -7.444   0.595
  191    HA   LEU  26           HA       LEU  26   5.755  -9.650   2.442
  192    HB2  LEU  26          2HB       LEU  26   7.801  -9.159   1.226
  193    HB3  LEU  26          1HB       LEU  26   7.879  -7.570   1.961
  194    HG   LEU  26           HG       LEU  26   8.182  -8.667   4.173
  195   HD11  LEU  26          1HD1      LEU  26   8.833 -11.024   4.236
  196   HD12  LEU  26          2HD1      LEU  26   8.419 -11.177   2.528
  197   HD13  LEU  26          3HD1      LEU  26   7.164 -10.809   3.710
  198   HD21  LEU  26          1HD2      LEU  26  10.509  -9.310   3.785
  199   HD22  LEU  26          2HD2      LEU  26  10.086  -7.831   2.924
  200   HD23  LEU  26          3HD2      LEU  26  10.204  -9.358   2.048
  201    H    HIS  27           H        HIS  27   5.971  -6.134   2.728
  202    HA   HIS  27           HA       HIS  27   6.022  -6.327   5.622
  203    HB2  HIS  27          2HB       HIS  27   6.130  -3.953   3.775
  204    HB3  HIS  27          1HB       HIS  27   6.280  -3.846   5.519
  205    HD1  HIS  27          1HD       HIS  27   8.583  -4.534   6.541
  206    HD2  HIS  27          2HD       HIS  27   8.318  -5.009   2.419
  207    HE1  HIS  27          1HE       HIS  27  10.938  -4.925   5.736
  208    H    ARG  28           H        ARG  28   3.742  -5.875   3.191
  209    HA   ARG  28           HA       ARG  28   1.670  -5.323   3.009
  210    HB2  ARG  28          2HB       ARG  28   1.419  -6.483   5.778
  211    HB3  ARG  28          1HB       ARG  28   0.047  -6.030   4.778
  212    HG2  ARG  28          2HG       ARG  28   0.153  -8.223   4.236
  213    HG3  ARG  28          1HG       ARG  28   1.294  -7.609   3.046
  214    HD2  ARG  28          2HD       ARG  28   2.308  -9.492   4.051
  215    HD3  ARG  28          1HD       ARG  28   3.112  -8.069   4.717
  216    HE   ARG  28           HE       ARG  28   0.921  -8.855   6.303
  217   HH11  ARG  28          1HH1      ARG  28   4.350  -9.527   5.713
  218   HH12  ARG  28          2HH1      ARG  28   4.555 -10.461   7.112
  219   HH21  ARG  28          1HH2      ARG  28   1.225 -10.103   8.275
  220   HH22  ARG  28          2HH2      ARG  28   2.748 -10.781   8.599
  221    H    TRP  29           H        TRP  29   2.599  -3.161   2.975
  222    HA   TRP  29           HA       TRP  29   0.653  -1.556   4.297
  223    HB2  TRP  29          2HB       TRP  29   2.203   0.154   5.126
  224    HB3  TRP  29          1HB       TRP  29   2.497  -1.378   5.916
  225    HD1  TRP  29           HD       TRP  29   4.047   0.304   2.731
  226    HE1  TRP  29          1HE       TRP  29   6.609   0.175   2.964
  227    HE3  TRP  29          3HE       TRP  29   4.340  -2.044   7.241
  228    HZ2  TRP  29          2HZ       TRP  29   8.487  -0.750   4.805
  229    HZ3  TRP  29          3HZ       TRP  29   6.567  -2.500   8.181
  230    HH2  TRP  29           HH       TRP  29   8.594  -1.864   6.984
  231    H    CYS  30           H        CYS  30   0.508   0.563   3.334
  232    HA   CYS  30           HA       CYS  30   0.752   0.413   0.503
  233    HB2  CYS  30          2HB       CYS  30   0.144   2.785   2.270
  234    HB3  CYS  30          1HB       CYS  30  -0.096   2.756   0.536
  235    H    LYS  31           H        LYS  31   2.663   0.505  -0.444
  236    HA   LYS  31           HA       LYS  31   4.759   2.204   0.670
  237    HB2  LYS  31          2HB       LYS  31   6.343   0.901  -0.627
  238    HB3  LYS  31          1HB       LYS  31   5.345  -0.180   0.328
  239    HG2  LYS  31          2HG       LYS  31   4.097  -0.835  -1.634
  240    HG3  LYS  31          1HG       LYS  31   4.921   0.386  -2.608
  241    HD2  LYS  31          2HD       LYS  31   7.080  -0.775  -2.084
  242    HD3  LYS  31          1HD       LYS  31   6.138  -2.052  -1.318
  243    HE2  LYS  31          2HE       LYS  31   5.747  -1.208  -4.184
  244    HE3  LYS  31          1HE       LYS  31   6.880  -2.461  -3.706
  245    HZ1  LYS  31          1HZ       LYS  31   5.068  -3.785  -2.891
  246    HZ2  LYS  31          2HZ       LYS  31   4.764  -3.346  -4.467
  247    HZ3  LYS  31          3HZ       LYS  31   3.914  -2.599  -3.238
  248    H    TYR  32           H        TYR  32   6.046   3.421  -0.798
  249    HA   TYR  32           HA       TYR  32   4.377   4.756  -2.739
  250    HB2  TYR  32          2HB       TYR  32   7.065   5.448  -1.521
  251    HB3  TYR  32          1HB       TYR  32   6.273   6.430  -2.747
  252    HD1  TYR  32          1HD       TYR  32   5.644   4.988   0.666
  253    HD2  TYR  32          2HD       TYR  32   4.843   8.147  -2.065
  254    HE1  TYR  32          1HE       TYR  32   4.374   6.154   2.396
  255    HE2  TYR  32          2HE       TYR  32   3.566   9.322  -0.336
  256    HH   TYR  32           HH       TYR  32   3.670   8.538   2.907
  257    H    VAL  33           H        VAL  33   4.591   4.573  -4.860
  258    HA   VAL  33           HA       VAL  33   6.721   2.889  -5.930
  259    HB   VAL  33           HB       VAL  33   4.338   4.115  -7.367
  260   HG11  VAL  33          1HG1      VAL  33   4.766   2.426  -9.090
  261   HG12  VAL  33          2HG1      VAL  33   6.192   1.892  -8.206
  262   HG13  VAL  33          3HG1      VAL  33   6.136   3.517  -8.890
  263   HG21  VAL  33          1HG2      VAL  33   3.595   2.601  -5.626
  264   HG22  VAL  33          2HG2      VAL  33   4.670   1.345  -6.241
  265   HG23  VAL  33          3HG2      VAL  33   3.312   1.900  -7.219
  266    H    PHE  34           H        PHE  34   5.703   6.178  -5.805
  267    HA   PHE  34           HA       PHE  34   7.833   6.924  -7.656
  268    HB2  PHE  34          2HB       PHE  34   5.360   8.487  -6.841
  269    HB3  PHE  34          1HB       PHE  34   6.625   9.090  -7.897
  270    HD1  PHE  34          1HD       PHE  34   3.896   6.669  -7.578
  271    HD2  PHE  34          2HD       PHE  34   6.674   8.495 -10.203
  272    HE1  PHE  34          1HE       PHE  34   2.663   5.743  -9.516
  273    HE2  PHE  34          2HE       PHE  34   5.467   7.580 -12.139
  274    HZ   PHE  34           HZ       PHE  34   3.461   6.201 -11.796
  Start of MODEL    3
    1    H1   ASP   1          1HT       ASP   1 -10.800  10.316   0.254
    2    H2   ASP   1          2HT       ASP   1 -10.450   8.660   0.136
    3    H3   ASP   1          3HT       ASP   1  -9.866   9.720  -1.015
    4    HA   ASP   1           HA       ASP   1  -8.485  10.803   0.585
    5    HB2  ASP   1          2HB       ASP   1  -9.783  10.445   2.609
    6    HB3  ASP   1          1HB       ASP   1  -9.603   8.700   2.458
    7    H    CYS   2           H        CYS   2  -6.526  10.294   0.023
    8    HA   CYS   2           HA       CYS   2  -6.003   7.747  -1.098
    9    HB2  CYS   2          2HB       CYS   2  -4.488  10.291  -0.864
   10    HB3  CYS   2          1HB       CYS   2  -3.582   8.843  -1.261
   11    H    LEU   3           H        LEU   3  -5.828   6.101   0.158
   12    HA   LEU   3           HA       LEU   3  -4.637   6.176   2.733
   13    HB2  LEU   3          2HB       LEU   3  -5.235   3.808   0.967
   14    HB3  LEU   3          1HB       LEU   3  -4.882   3.742   2.674
   15    HG   LEU   3           HG       LEU   3  -7.344   5.029   1.478
   16   HD11  LEU   3          1HD1      LEU   3  -8.556   3.128   2.389
   17   HD12  LEU   3          2HD1      LEU   3  -7.046   2.411   2.937
   18   HD13  LEU   3          3HD1      LEU   3  -7.356   2.598   1.209
   19   HD21  LEU   3          1HD2      LEU   3  -6.682   6.054   3.574
   20   HD22  LEU   3          2HD2      LEU   3  -6.576   4.467   4.338
   21   HD23  LEU   3          3HD2      LEU   3  -8.136   5.083   3.792
   22    H    GLY   4           H        GLY   4  -2.638   5.858   3.243
   23    HA2  GLY   4          2HA       GLY   4  -0.688   4.514   1.713
   24    HA3  GLY   4          1HA       GLY   4  -0.586   6.269   1.516
   25    H    ALA   5           H        ALA   5   1.101   6.861   2.656
   26    HA   ALA   5           HA       ALA   5   2.409   7.357   4.418
   27    HB1  ALA   5          1HB       ALA   5   1.255   8.014   6.442
   28    HB2  ALA   5          2HB       ALA   5  -0.191   7.149   5.921
   29    HB3  ALA   5          3HB       ALA   5   0.369   8.558   5.017
   30    H    PHE   6           H        PHE   6   2.160   4.504   3.840
   31    HA   PHE   6           HA       PHE   6   3.063   2.572   4.569
   32    HB2  PHE   6          2HB       PHE   6   3.779   4.020   7.148
   33    HB3  PHE   6          1HB       PHE   6   4.398   2.461   6.641
   34    HD1  PHE   6          1HD       PHE   6   5.925   2.382   4.617
   35    HD2  PHE   6          2HD       PHE   6   4.802   6.018   6.509
   36    HE1  PHE   6          1HE       PHE   6   7.859   3.524   3.587
   37    HE2  PHE   6          2HE       PHE   6   6.717   7.159   5.486
   38    HZ   PHE   6           HZ       PHE   6   8.252   5.913   4.018
   39    H    ARG   7           H        ARG   7   0.217   3.375   5.172
   40    HA   ARG   7           HA       ARG   7  -0.387   2.030   7.658
   41    HB2  ARG   7          2HB       ARG   7  -2.203   2.974   5.429
   42    HB3  ARG   7          1HB       ARG   7  -2.785   2.168   6.872
   43    HG2  ARG   7          2HG       ARG   7  -1.383   4.834   6.742
   44    HG3  ARG   7          1HG       ARG   7  -3.095   4.555   7.061
   45    HD2  ARG   7          2HD       ARG   7  -0.761   3.763   8.808
   46    HD3  ARG   7          1HD       ARG   7  -1.968   4.997   9.141
   47    HE   ARG   7           HE       ARG   7  -3.388   2.687   8.821
   48   HH11  ARG   7          1HH1      ARG   7  -0.865   3.841  11.031
   49   HH12  ARG   7          2HH1      ARG   7  -1.213   2.730  12.260
   50   HH21  ARG   7          1HH2      ARG   7  -3.914   1.194  10.537
   51   HH22  ARG   7          2HH2      ARG   7  -3.009   1.176  11.983
   52    H    LYS   8           H        LYS   8  -1.034  -0.023   7.972
   53    HA   LYS   8           HA       LYS   8  -0.228  -1.846   5.944
   54    HB2  LYS   8          2HB       LYS   8  -1.462  -2.396   8.642
   55    HB3  LYS   8          1HB       LYS   8  -0.795  -3.615   7.567
   56    HG2  LYS   8          2HG       LYS   8   1.400  -2.443   7.714
   57    HG3  LYS   8          1HG       LYS   8   0.690  -1.395   8.945
   58    HD2  LYS   8          2HD       LYS   8   0.185  -3.401  10.297
   59    HD3  LYS   8          1HD       LYS   8   0.975  -4.390   9.072
   60    HE2  LYS   8          2HE       LYS   8   2.524  -3.994  10.876
   61    HE3  LYS   8          1HE       LYS   8   3.066  -3.127   9.444
   62    HZ1  LYS   8          1HZ       LYS   8   1.646  -1.935  11.771
   63    HZ2  LYS   8          2HZ       LYS   8   2.088  -1.098  10.390
   64    HZ3  LYS   8          3HZ       LYS   8   3.269  -1.741  11.382
   65    H    CYS   9           H        CYS   9  -1.414  -3.238   4.782
   66    HA   CYS   9           HA       CYS   9  -4.303  -2.994   4.859
   67    HB2  CYS   9          2HB       CYS   9  -4.290  -2.583   2.381
   68    HB3  CYS   9          1HB       CYS   9  -3.662  -1.249   3.349
   69    H    ILE  10           H        ILE  10  -5.135  -4.524   2.974
   70    HA   ILE  10           HA       ILE  10  -3.841  -7.067   3.462
   71    HB   ILE  10           HB       ILE  10  -6.522  -6.395   2.190
   72   HG12  ILE  10          2HG1      ILE  10  -5.874  -7.426   4.961
   73   HG13  ILE  10          1HG1      ILE  10  -6.392  -5.790   4.569
   74   HG21  ILE  10          1HG2      ILE  10  -7.033  -8.768   2.458
   75   HG22  ILE  10          2HG2      ILE  10  -5.404  -9.049   3.074
   76   HG23  ILE  10          3HG2      ILE  10  -5.635  -8.513   1.410
   77   HD11  ILE  10          1HD1      ILE  10  -8.539  -6.664   3.805
   78   HD12  ILE  10          2HD1      ILE  10  -8.210  -7.110   5.479
   79   HD13  ILE  10          3HD1      ILE  10  -8.008  -8.299   4.194
   80    HA   PRO  11           HA       PRO  11  -2.024  -6.489  -0.691
   81    HB2  PRO  11          2HB       PRO  11  -0.933  -9.183  -0.286
   82    HB3  PRO  11          1HB       PRO  11  -0.075  -7.659  -0.513
   83    HG2  PRO  11          2HG       PRO  11  -0.139  -8.954   1.850
   84    HG3  PRO  11          1HG       PRO  11  -0.056  -7.181   1.737
   85    HD2  PRO  11          2HD       PRO  11  -2.383  -8.955   2.354
   86    HD3  PRO  11          1HD       PRO  11  -1.928  -7.379   3.043
   87    H    ASP  12           H        ASP  12  -4.159  -8.791   0.396
   88    HA   ASP  12           HA       ASP  12  -4.511 -10.314  -2.028
   89    HB2  ASP  12          2HB       ASP  12  -6.426  -9.976   0.308
   90    HB3  ASP  12          1HB       ASP  12  -6.602 -11.129  -0.995
   91    H    ASN  13           H        ASN  13  -5.386  -7.232  -0.987
   92    HA   ASN  13           HA       ASN  13  -6.581  -6.570  -3.411
   93    HB2  ASN  13          2HB       ASN  13  -8.792  -5.709  -2.482
   94    HB3  ASN  13          1HB       ASN  13  -8.675  -7.453  -2.593
   95   HD21  ASN  13          1HD2      ASN  13  -8.696  -8.664  -0.710
   96   HD22  ASN  13          2HD2      ASN  13  -9.123  -8.005   0.823
   97    H    ASP  14           H        ASP  14  -4.951  -5.244  -3.474
   98    HA   ASP  14           HA       ASP  14  -4.108  -3.477  -1.506
   99    HB2  ASP  14          2HB       ASP  14  -2.947  -2.190  -3.292
  100    HB3  ASP  14          1HB       ASP  14  -2.650  -3.916  -3.384
  101    H    LYS  15           H        LYS  15  -5.028  -1.912  -0.562
  102    HA   LYS  15           HA       LYS  15  -6.805  -0.180  -2.099
  103    HB2  LYS  15          2HB       LYS  15  -7.109  -1.011   0.794
  104    HB3  LYS  15          1HB       LYS  15  -8.057   0.251   0.024
  105    HG2  LYS  15          2HG       LYS  15  -8.951  -1.370  -1.550
  106    HG3  LYS  15          1HG       LYS  15  -8.004  -2.648  -0.784
  107    HD2  LYS  15          2HD       LYS  15  -9.228  -2.302   1.286
  108    HD3  LYS  15          1HD       LYS  15 -10.129  -0.980   0.539
  109    HE2  LYS  15          2HE       LYS  15 -11.049  -2.534  -1.108
  110    HE3  LYS  15          1HE       LYS  15 -10.148  -3.855  -0.370
  111    HZ1  LYS  15          1HZ       LYS  15 -12.432  -3.816   0.372
  112    HZ2  LYS  15          2HZ       LYS  15 -12.245  -2.247   0.971
  113    HZ3  LYS  15          3HZ       LYS  15 -11.386  -3.527   1.654
  114    H    CYS  16           H        CYS  16  -5.198   1.184  -2.588
  115    HA   CYS  16           HA       CYS  16  -4.299   2.940  -0.471
  116    HB2  CYS  16          2HB       CYS  16  -2.381   1.724  -2.480
  117    HB3  CYS  16          1HB       CYS  16  -1.985   2.833  -1.180
  118    H    CYS  17           H        CYS  17  -3.125   4.808  -1.676
  119    HA   CYS  17           HA       CYS  17  -4.785   5.644  -3.858
  120    HB2  CYS  17          2HB       CYS  17  -3.874   7.129  -2.070
  121    HB3  CYS  17          1HB       CYS  17  -2.276   6.948  -2.776
  122    H    ARG  18           H        ARG  18  -4.290   3.903  -5.201
  123    HA   ARG  18           HA       ARG  18  -1.641   3.523  -6.266
  124    HB2  ARG  18          2HB       ARG  18  -2.754   1.684  -7.580
  125    HB3  ARG  18          1HB       ARG  18  -2.921   1.550  -5.836
  126    HG2  ARG  18          2HG       ARG  18  -5.185   2.486  -6.017
  127    HG3  ARG  18          1HG       ARG  18  -5.000   2.534  -7.770
  128    HD2  ARG  18          2HD       ARG  18  -4.680   0.125  -7.803
  129    HD3  ARG  18          1HD       ARG  18  -4.836   0.072  -6.048
  130    HE   ARG  18           HE       ARG  18  -7.045   1.270  -7.437
  131   HH11  ARG  18          1HH1      ARG  18  -5.724  -1.726  -6.047
  132   HH12  ARG  18          2HH1      ARG  18  -7.224  -2.525  -6.027
  133   HH21  ARG  18          1HH2      ARG  18  -9.079   0.182  -7.373
  134   HH22  ARG  18          2HH2      ARG  18  -9.195  -1.416  -6.803
  135    HA   PRO  19           HA       PRO  19  -0.989   2.411  -8.157
  136    HB2  PRO  19          2HB       PRO  19   0.627   2.793 -10.234
  137    HB3  PRO  19          1HB       PRO  19  -1.021   2.200 -10.470
  138    HG2  PRO  19          2HG       PRO  19   0.091   4.931 -10.917
  139    HG3  PRO  19          1HG       PRO  19  -1.130   4.052 -11.849
  140    HD2  PRO  19          2HD       PRO  19  -1.636   6.011  -9.905
  141    HD3  PRO  19          1HD       PRO  19  -2.825   4.869 -10.559
  142    H    ASN  20           H        ASN  20  -0.634   5.490  -7.387
  143    HA   ASN  20           HA       ASN  20   2.187   5.892  -7.321
  144    HB2  ASN  20          2HB       ASN  20  -0.038   7.222  -5.763
  145    HB3  ASN  20          1HB       ASN  20   1.643   7.731  -5.697
  146   HD21  ASN  20          1HD2      ASN  20  -0.763   9.127  -6.623
  147   HD22  ASN  20          2HD2      ASN  20  -0.450   9.585  -8.248
  148    H    LEU  21           H        LEU  21  -0.154   4.647  -5.044
  149    HA   LEU  21           HA       LEU  21   2.028   3.678  -3.319
  150    HB2  LEU  21          2HB       LEU  21  -0.744   4.424  -2.379
  151    HB3  LEU  21          1HB       LEU  21   0.673   4.093  -1.405
  152    HG   LEU  21           HG       LEU  21   0.238   6.551  -3.090
  153   HD11  LEU  21          1HD1      LEU  21   0.366   6.164  -0.135
  154   HD12  LEU  21          2HD1      LEU  21  -1.120   6.433  -1.050
  155   HD13  LEU  21          3HD1      LEU  21   0.116   7.698  -0.966
  156   HD21  LEU  21          1HD2      LEU  21   2.276   7.363  -2.045
  157   HD22  LEU  21          2HD2      LEU  21   2.574   5.931  -3.028
  158   HD23  LEU  21          3HD2      LEU  21   2.507   5.798  -1.269
  159    H    VAL  22           H        VAL  22   1.724   1.513  -2.707
  160    HA   VAL  22           HA       VAL  22  -0.794   0.239  -3.341
  161    HB   VAL  22           HB       VAL  22   0.567   0.157  -5.451
  162   HG11  VAL  22          1HG1      VAL  22   2.781   0.028  -4.563
  163   HG12  VAL  22          2HG1      VAL  22   2.483  -1.352  -5.621
  164   HG13  VAL  22          3HG1      VAL  22   2.451  -1.558  -3.868
  165   HG21  VAL  22          1HG2      VAL  22   0.247  -2.246  -5.921
  166   HG22  VAL  22          2HG2      VAL  22  -1.141  -1.531  -5.097
  167   HG23  VAL  22          3HG2      VAL  22   0.001  -2.530  -4.197
  168    H    CYS  23           H        CYS  23  -1.032  -1.863  -2.271
  169    HA   CYS  23           HA       CYS  23   0.283  -2.123   0.144
  170    HB2  CYS  23          2HB       CYS  23  -1.452  -3.956  -1.489
  171    HB3  CYS  23          1HB       CYS  23  -0.864  -4.335   0.118
  172    H    SER  24           H        SER  24   2.350  -2.641   0.226
  173    HA   SER  24           HA       SER  24   3.691  -4.286  -1.640
  174    HB2  SER  24          2HB       SER  24   4.869  -2.701  -0.281
  175    HB3  SER  24          1HB       SER  24   4.273  -3.477   1.187
  176    HG   SER  24           HG       SER  24   6.077  -4.600  -0.724
  177    H    ARG  25           H        ARG  25   3.867  -6.477  -1.654
  178    HA   ARG  25           HA       ARG  25   2.149  -8.040   0.003
  179    HB2  ARG  25          2HB       ARG  25   3.030  -9.972  -1.182
  180    HB3  ARG  25          1HB       ARG  25   2.725  -8.684  -2.338
  181    HG2  ARG  25          2HG       ARG  25   5.087  -8.142  -2.385
  182    HG3  ARG  25          1HG       ARG  25   5.417  -9.379  -1.180
  183    HD2  ARG  25          2HD       ARG  25   4.512 -11.057  -2.795
  184    HD3  ARG  25          1HD       ARG  25   4.418  -9.757  -3.991
  185    HE   ARG  25           HE       ARG  25   6.971 -10.152  -2.695
  186   HH11  ARG  25          1HH1      ARG  25   5.016 -10.766  -5.580
  187   HH12  ARG  25          2HH1      ARG  25   6.339 -11.228  -6.533
  188   HH21  ARG  25          1HH2      ARG  25   8.775 -10.760  -4.024
  189   HH22  ARG  25          2HH2      ARG  25   8.505 -11.232  -5.647
  190    H    LEU  26           H        LEU  26   5.446  -7.028   0.159
  191    HA   LEU  26           HA       LEU  26   6.108  -8.998   2.190
  192    HB2  LEU  26          2HB       LEU  26   7.734  -8.521   0.432
  193    HB3  LEU  26          1HB       LEU  26   7.780  -6.842   0.925
  194    HG   LEU  26           HG       LEU  26   8.690  -7.557   3.124
  195   HD11  LEU  26          1HD1      LEU  26   9.617  -9.807   3.341
  196   HD12  LEU  26          2HD1      LEU  26   8.871 -10.259   1.809
  197   HD13  LEU  26          3HD1      LEU  26   7.861  -9.831   3.190
  198   HD21  LEU  26          1HD2      LEU  26  10.261  -8.412   0.713
  199   HD22  LEU  26          2HD2      LEU  26  10.926  -8.021   2.301
  200   HD23  LEU  26          3HD2      LEU  26  10.137  -6.769   1.340
  201    H    HIS  27           H        HIS  27   5.890  -5.461   1.837
  202    HA   HIS  27           HA       HIS  27   6.512  -5.061   4.622
  203    HB2  HIS  27          2HB       HIS  27   5.586  -3.068   2.525
  204    HB3  HIS  27          1HB       HIS  27   6.011  -2.650   4.171
  205    HD1  HIS  27          1HD       HIS  27   8.377  -1.873   4.442
  206    HD2  HIS  27          2HD       HIS  27   7.879  -4.284   1.095
  207    HE1  HIS  27          1HE       HIS  27  10.595  -1.864   3.246
  208    H    ARG  28           H        ARG  28   3.686  -5.572   2.762
  209    HA   ARG  28           HA       ARG  28   1.545  -5.941   3.276
  210    HB2  ARG  28          2HB       ARG  28   2.368  -5.742   6.178
  211    HB3  ARG  28          1HB       ARG  28   0.901  -6.486   5.554
  212    HG2  ARG  28          2HG       ARG  28   2.253  -8.158   4.393
  213    HG3  ARG  28          1HG       ARG  28   3.711  -7.414   5.038
  214    HD2  ARG  28          2HD       ARG  28   2.845  -7.849   7.323
  215    HD3  ARG  28          1HD       ARG  28   1.504  -8.735   6.591
  216    HE   ARG  28           HE       ARG  28   4.293  -9.463   6.101
  217   HH11  ARG  28          1HH1      ARG  28   1.039 -10.399   7.105
  218   HH12  ARG  28          2HH1      ARG  28   1.411 -12.058   7.241
  219   HH21  ARG  28          1HH2      ARG  28   4.804 -11.716   6.277
  220   HH22  ARG  28          2HH2      ARG  28   3.611 -12.834   6.739
  221    H    TRP  29           H        TRP  29   2.782  -3.170   3.249
  222    HA   TRP  29           HA       TRP  29   0.354  -1.840   4.134
  223    HB2  TRP  29          2HB       TRP  29   1.592   0.053   5.071
  224    HB3  TRP  29          1HB       TRP  29   1.923  -1.424   5.941
  225    HD1  TRP  29           HD       TRP  29   3.726   0.407   2.980
  226    HE1  TRP  29          1HE       TRP  29   6.252   0.522   3.574
  227    HE3  TRP  29          3HE       TRP  29   3.617  -1.944   7.504
  228    HZ2  TRP  29          2HZ       TRP  29   7.930  -0.247   5.681
  229    HZ3  TRP  29          3HZ       TRP  29   5.727  -2.206   8.754
  230    HH2  TRP  29           HH       TRP  29   7.828  -1.375   7.854
  231    H    CYS  30           H        CYS  30   0.155   0.327   3.335
  232    HA   CYS  30           HA       CYS  30   0.560   0.432   0.525
  233    HB2  CYS  30          2HB       CYS  30  -0.328   2.487   2.541
  234    HB3  CYS  30          1HB       CYS  30  -0.318   2.786   0.817
  235    H    LYS  31           H        LYS  31   2.651   0.520  -0.030
  236    HA   LYS  31           HA       LYS  31   4.325   2.453   1.369
  237    HB2  LYS  31          2HB       LYS  31   6.245   1.302   0.562
  238    HB3  LYS  31          1HB       LYS  31   5.154   0.093   1.201
  239    HG2  LYS  31          2HG       LYS  31   4.489  -0.523  -1.063
  240    HG3  LYS  31          1HG       LYS  31   5.533   0.738  -1.720
  241    HD2  LYS  31          2HD       LYS  31   6.483  -1.609  -0.061
  242    HD3  LYS  31          1HD       LYS  31   6.584  -1.511  -1.821
  243    HE2  LYS  31          2HE       LYS  31   7.949   0.353   0.143
  244    HE3  LYS  31          1HE       LYS  31   8.705  -1.005  -0.667
  245    HZ1  LYS  31          1HZ       LYS  31   8.293   0.101  -2.802
  246    HZ2  LYS  31          2HZ       LYS  31   9.254   0.977  -1.782
  247    HZ3  LYS  31          3HZ       LYS  31   7.675   1.472  -2.013
  248    H    TYR  32           H        TYR  32   5.857   3.629   0.014
  249    HA   TYR  32           HA       TYR  32   4.435   4.838  -2.170
  250    HB2  TYR  32          2HB       TYR  32   7.141   5.462  -0.951
  251    HB3  TYR  32          1HB       TYR  32   6.289   6.460  -2.120
  252    HD1  TYR  32          1HD       TYR  32   4.369   7.783  -1.441
  253    HD2  TYR  32          2HD       TYR  32   6.453   5.422   1.402
  254    HE1  TYR  32          1HE       TYR  32   3.233   8.976   0.368
  255    HE2  TYR  32          2HE       TYR  32   5.331   6.602   3.222
  256    HH   TYR  32           HH       TYR  32   4.240   8.842   3.562
  257    H    VAL  33           H        VAL  33   4.759   4.176  -4.199
  258    HA   VAL  33           HA       VAL  33   7.247   2.783  -4.676
  259    HB   VAL  33           HB       VAL  33   6.129   1.663  -6.663
  260   HG11  VAL  33          1HG1      VAL  33   4.959   1.105  -3.943
  261   HG12  VAL  33          2HG1      VAL  33   6.486   0.481  -4.564
  262   HG13  VAL  33          3HG1      VAL  33   4.965  -0.012  -5.308
  263   HG21  VAL  33          1HG2      VAL  33   3.674   1.537  -6.661
  264   HG22  VAL  33          2HG2      VAL  33   4.251   3.185  -6.937
  265   HG23  VAL  33          3HG2      VAL  33   3.627   2.725  -5.354
  266    H    PHE  34           H        PHE  34   8.578   4.170  -5.288
  267    HA   PHE  34           HA       PHE  34   8.336   5.427  -7.826
  268    HB2  PHE  34          2HB       PHE  34   7.185   7.046  -6.226
  269    HB3  PHE  34          1HB       PHE  34   8.709   7.165  -5.361
  270    HD1  PHE  34          1HD       PHE  34  10.539   8.451  -6.259
  271    HD2  PHE  34          2HD       PHE  34   6.929   7.986  -8.451
  272    HE1  PHE  34          1HE       PHE  34  11.229  10.256  -7.772
  273    HE2  PHE  34          2HE       PHE  34   7.612   9.788  -9.973
  274    HZ   PHE  34           HZ       PHE  34   9.769  10.928  -9.635
  Start of MODEL    4
    1    H1   ASP   1          1HT       ASP   1  -3.842  13.841   3.926
    2    H2   ASP   1          2HT       ASP   1  -4.162  12.220   4.282
    3    H3   ASP   1          3HT       ASP   1  -5.402  13.202   3.779
    4    HA   ASP   1           HA       ASP   1  -4.447  13.452   1.615
    5    HB2  ASP   1          2HB       ASP   1  -2.044  12.957   2.564
    6    HB3  ASP   1          1HB       ASP   1  -2.500  11.265   2.442
    7    H    CYS   2           H        CYS   2  -4.073  10.870   0.338
    8    HA   CYS   2           HA       CYS   2  -6.655   9.773   1.004
    9    HB2  CYS   2          2HB       CYS   2  -6.444   8.615  -1.108
   10    HB3  CYS   2          1HB       CYS   2  -6.116  10.324  -1.331
   11    H    LEU   3           H        LEU   3  -6.582   7.185   0.592
   12    HA   LEU   3           HA       LEU   3  -5.276   6.145   2.819
   13    HB2  LEU   3          2HB       LEU   3  -6.328   4.682   0.432
   14    HB3  LEU   3          1HB       LEU   3  -5.922   3.946   1.963
   15    HG   LEU   3           HG       LEU   3  -8.109   5.958   1.520
   16   HD11  LEU   3          1HD1      LEU   3  -9.637   4.079   1.955
   17   HD12  LEU   3          2HD1      LEU   3  -8.255   2.988   2.040
   18   HD13  LEU   3          3HD1      LEU   3  -8.645   3.801   0.524
   19   HD21  LEU   3          1HD2      LEU   3  -7.200   6.143   3.760
   20   HD22  LEU   3          2HD2      LEU   3  -7.339   4.399   3.985
   21   HD23  LEU   3          3HD2      LEU   3  -8.790   5.385   3.822
   22    H    GLY   4           H        GLY   4  -3.421   5.314   3.153
   23    HA2  GLY   4          2HA       GLY   4  -1.675   3.916   1.621
   24    HA3  GLY   4          1HA       GLY   4  -1.342   5.596   1.201
   25    H    ALA   5           H        ALA   5   0.082   6.620   2.351
   26    HA   ALA   5           HA       ALA   5   1.703   7.066   3.879
   27    HB1  ALA   5          1HB       ALA   5  -0.618   6.770   5.760
   28    HB2  ALA   5          2HB       ALA   5  -0.273   8.187   4.758
   29    HB3  ALA   5          3HB       ALA   5   0.854   7.703   6.026
   30    H    PHE   6           H        PHE   6   1.780   4.272   3.318
   31    HA   PHE   6           HA       PHE   6   2.757   2.392   4.018
   32    HB2  PHE   6          2HB       PHE   6   3.805   4.135   6.276
   33    HB3  PHE   6          1HB       PHE   6   4.393   2.526   5.884
   34    HD1  PHE   6          1HD       PHE   6   4.472   6.047   5.007
   35    HD2  PHE   6          2HD       PHE   6   5.652   2.148   3.818
   36    HE1  PHE   6          1HE       PHE   6   6.099   7.023   3.439
   37    HE2  PHE   6          2HE       PHE   6   7.285   3.114   2.243
   38    HZ   PHE   6           HZ       PHE   6   7.506   5.560   2.055
   39    H    ARG   7           H        ARG   7   0.058   3.014   4.873
   40    HA   ARG   7           HA       ARG   7  -0.138   1.819   7.501
   41    HB2  ARG   7          2HB       ARG   7  -2.270   2.678   5.550
   42    HB3  ARG   7          1HB       ARG   7  -2.625   2.012   7.121
   43    HG2  ARG   7          2HG       ARG   7  -1.342   4.662   6.462
   44    HG3  ARG   7          1HG       ARG   7  -2.900   4.375   7.229
   45    HD2  ARG   7          2HD       ARG   7  -1.528   5.024   9.004
   46    HD3  ARG   7          1HD       ARG   7  -1.508   3.266   9.108
   47    HE   ARG   7           HE       ARG   7   0.610   4.292   7.502
   48   HH11  ARG   7          1HH1      ARG   7  -0.272   3.742  10.884
   49   HH12  ARG   7          2HH1      ARG   7   1.342   3.690  11.426
   50   HH21  ARG   7          1HH2      ARG   7   2.788   4.192   8.252
   51   HH22  ARG   7          2HH2      ARG   7   3.108   3.914   9.904
   52    H    LYS   8           H        LYS   8  -1.163  -0.139   7.907
   53    HA   LYS   8           HA       LYS   8  -0.310  -2.255   6.303
   54    HB2  LYS   8          2HB       LYS   8  -2.413  -2.243   8.465
   55    HB3  LYS   8          1HB       LYS   8  -1.737  -3.695   7.743
   56    HG2  LYS   8          2HG       LYS   8   0.474  -3.070   8.552
   57    HG3  LYS   8          1HG       LYS   8  -0.200  -1.616   9.284
   58    HD2  LYS   8          2HD       LYS   8  -1.637  -3.007  10.702
   59    HD3  LYS   8          1HD       LYS   8  -0.946  -4.458   9.975
   60    HE2  LYS   8          2HE       LYS   8   0.572  -2.371  11.538
   61    HE3  LYS   8          1HE       LYS   8   0.078  -3.943  12.151
   62    HZ1  LYS   8          1HZ       LYS   8   1.490  -5.003  10.517
   63    HZ2  LYS   8          2HZ       LYS   8   2.409  -3.912  11.413
   64    HZ3  LYS   8          3HZ       LYS   8   1.919  -3.515   9.860
   65    H    CYS   9           H        CYS   9  -1.190  -3.461   4.791
   66    HA   CYS   9           HA       CYS   9  -3.870  -2.721   3.837
   67    HB2  CYS   9          2HB       CYS   9  -2.928  -3.132   1.568
   68    HB3  CYS   9          1HB       CYS   9  -2.224  -1.741   2.396
   69    H    ILE  10           H        ILE  10  -4.929  -4.399   2.654
   70    HA   ILE  10           HA       ILE  10  -4.052  -7.074   3.345
   71    HB   ILE  10           HB       ILE  10  -6.697  -6.059   2.202
   72   HG12  ILE  10          2HG1      ILE  10  -7.671  -7.109   4.315
   73   HG13  ILE  10          1HG1      ILE  10  -6.026  -7.269   4.898
   74   HG21  ILE  10          1HG2      ILE  10  -5.906  -8.905   2.776
   75   HG22  ILE  10          2HG2      ILE  10  -6.226  -8.189   1.194
   76   HG23  ILE  10          3HG2      ILE  10  -7.532  -8.362   2.367
   77   HD11  ILE  10          1HD1      ILE  10  -7.447  -4.690   4.261
   78   HD12  ILE  10          2HD1      ILE  10  -5.788  -4.830   4.840
   79   HD13  ILE  10          3HD1      ILE  10  -7.129  -5.343   5.867
   80    HA   PRO  11           HA       PRO  11  -2.224  -6.866  -0.687
   81    HB2  PRO  11          2HB       PRO  11  -1.287  -9.389  -0.830
   82    HB3  PRO  11          1HB       PRO  11  -0.535  -8.151   0.188
   83    HG2  PRO  11          2HG       PRO  11  -2.397 -10.362   0.937
   84    HG3  PRO  11          1HG       PRO  11  -0.973  -9.759   1.805
   85    HD2  PRO  11          2HD       PRO  11  -3.546  -9.107   2.452
   86    HD3  PRO  11          1HD       PRO  11  -2.169  -8.054   2.797
   87    H    ASP  12           H        ASP  12  -4.826  -8.768   0.126
   88    HA   ASP  12           HA       ASP  12  -5.176  -9.935  -2.521
   89    HB2  ASP  12          2HB       ASP  12  -6.862 -10.158  -0.023
   90    HB3  ASP  12          1HB       ASP  12  -7.215 -10.972  -1.540
   91    H    ASN  13           H        ASN  13  -5.948  -7.089  -0.898
   92    HA   ASN  13           HA       ASN  13  -7.461  -6.098  -3.047
   93    HB2  ASN  13          2HB       ASN  13  -9.285  -7.374  -1.911
   94    HB3  ASN  13          1HB       ASN  13  -8.974  -6.461  -0.439
   95   HD21  ASN  13          1HD2      ASN  13 -10.229  -6.347  -3.647
   96   HD22  ASN  13          2HD2      ASN  13 -11.080  -4.862  -3.510
   97    H    ASP  14           H        ASP  14  -5.820  -4.623  -2.959
   98    HA   ASP  14           HA       ASP  14  -5.569  -3.103  -0.519
   99    HB2  ASP  14          2HB       ASP  14  -3.619  -2.007  -1.584
  100    HB3  ASP  14          1HB       ASP  14  -3.471  -3.756  -1.467
  101    H    LYS  15           H        LYS  15  -6.323  -1.243  -0.192
  102    HA   LYS  15           HA       LYS  15  -7.332   0.254  -2.468
  103    HB2  LYS  15          2HB       LYS  15  -9.094   1.212  -0.918
  104    HB3  LYS  15          1HB       LYS  15  -9.305  -0.458  -1.413
  105    HG2  LYS  15          2HG       LYS  15  -8.675  -1.268   0.719
  106    HG3  LYS  15          1HG       LYS  15  -8.065   0.313   1.215
  107    HD2  LYS  15          2HD       LYS  15 -10.250  -0.219   2.213
  108    HD3  LYS  15          1HD       LYS  15 -10.306   1.223   1.201
  109    HE2  LYS  15          2HE       LYS  15 -11.231  -0.174  -0.630
  110    HE3  LYS  15          1HE       LYS  15 -11.262  -1.550   0.476
  111    HZ1  LYS  15          1HZ       LYS  15 -13.411  -0.466   0.342
  112    HZ2  LYS  15          2HZ       LYS  15 -12.737   1.000   0.798
  113    HZ3  LYS  15          3HZ       LYS  15 -12.776  -0.281   1.895
  114    H    CYS  16           H        CYS  16  -5.591   1.438  -2.699
  115    HA   CYS  16           HA       CYS  16  -5.262   3.619  -0.876
  116    HB2  CYS  16          2HB       CYS  16  -2.982   1.742  -1.695
  117    HB3  CYS  16          1HB       CYS  16  -2.744   3.336  -0.991
  118    H    CYS  17           H        CYS  17  -3.931   5.321  -2.079
  119    HA   CYS  17           HA       CYS  17  -4.823   5.496  -4.763
  120    HB2  CYS  17          2HB       CYS  17  -2.737   7.126  -3.306
  121    HB3  CYS  17          1HB       CYS  17  -3.215   7.455  -4.963
  122    H    ARG  18           H        ARG  18  -4.178   3.644  -5.756
  123    HA   ARG  18           HA       ARG  18  -1.338   3.255  -6.136
  124    HB2  ARG  18          2HB       ARG  18  -1.994   1.073  -7.185
  125    HB3  ARG  18          1HB       ARG  18  -2.560   1.263  -5.543
  126    HG2  ARG  18          2HG       ARG  18  -4.797   1.796  -6.426
  127    HG3  ARG  18          1HG       ARG  18  -4.186   1.502  -8.061
  128    HD2  ARG  18          2HD       ARG  18  -3.493  -0.760  -7.349
  129    HD3  ARG  18          1HD       ARG  18  -4.221  -0.459  -5.778
  130    HE   ARG  18           HE       ARG  18  -5.976  -0.136  -8.026
  131   HH11  ARG  18          1HH1      ARG  18  -4.851  -2.250  -5.402
  132   HH12  ARG  18          2HH1      ARG  18  -5.979  -3.470  -5.678
  133   HH21  ARG  18          1HH2      ARG  18  -7.605  -1.843  -8.418
  134   HH22  ARG  18          2HH2      ARG  18  -7.596  -3.237  -7.440
  135    HA   PRO  19           HA       PRO  19  -0.345   1.835  -7.777
  136    HB2  PRO  19          2HB       PRO  19   1.536   2.111  -9.675
  137    HB3  PRO  19          1HB       PRO  19   0.006   1.283  -9.962
  138    HG2  PRO  19          2HG       PRO  19   0.936   3.854 -11.003
  139    HG3  PRO  19          1HG       PRO  19  -0.426   2.862 -11.545
  140    HD2  PRO  19          2HD       PRO  19  -0.399   5.186  -9.776
  141    HD3  PRO  19          1HD       PRO  19  -1.793   4.390 -10.540
  142    H    ASN  20           H        ASN  20  -0.075   5.015  -7.252
  143    HA   ASN  20           HA       ASN  20   2.751   5.253  -6.800
  144    HB2  ASN  20          2HB       ASN  20   1.313   7.236  -7.184
  145    HB3  ASN  20          1HB       ASN  20   0.485   6.913  -5.665
  146   HD21  ASN  20          1HD2      ASN  20   3.429   7.933  -7.136
  147   HD22  ASN  20          2HD2      ASN  20   4.119   8.679  -5.737
  148    H    LEU  21           H        LEU  21  -0.039   4.682  -4.776
  149    HA   LEU  21           HA       LEU  21   1.693   3.706  -2.630
  150    HB2  LEU  21          2HB       LEU  21  -1.144   4.714  -2.712
  151    HB3  LEU  21          1HB       LEU  21  -0.516   3.781  -1.376
  152    HG   LEU  21           HG       LEU  21   0.944   6.248  -2.194
  153   HD11  LEU  21          1HD1      LEU  21  -0.458   7.415  -0.452
  154   HD12  LEU  21          2HD1      LEU  21  -1.629   6.081  -0.622
  155   HD13  LEU  21          3HD1      LEU  21  -1.232   7.101  -1.991
  156   HD21  LEU  21          1HD2      LEU  21   1.938   4.699  -0.606
  157   HD22  LEU  21          2HD2      LEU  21   0.495   4.783   0.401
  158   HD23  LEU  21          3HD2      LEU  21   1.501   6.214   0.181
  159    H    VAL  22           H        VAL  22   1.844   1.614  -2.566
  160    HA   VAL  22           HA       VAL  22  -0.425   0.038  -3.468
  161    HB   VAL  22           HB       VAL  22   1.174   0.307  -5.366
  162   HG11  VAL  22          1HG1      VAL  22   3.111  -1.212  -3.648
  163   HG12  VAL  22          2HG1      VAL  22   3.263   0.453  -4.205
  164   HG13  VAL  22          3HG1      VAL  22   3.320  -0.872  -5.366
  165   HG21  VAL  22          1HG2      VAL  22   1.319  -2.072  -5.990
  166   HG22  VAL  22          2HG2      VAL  22  -0.263  -1.636  -5.343
  167   HG23  VAL  22          3HG2      VAL  22   0.891  -2.514  -4.338
  168    H    CYS  23           H        CYS  23  -0.421  -2.095  -2.658
  169    HA   CYS  23           HA       CYS  23   0.529  -2.267   0.022
  170    HB2  CYS  23          2HB       CYS  23  -1.667  -3.115  -0.775
  171    HB3  CYS  23          1HB       CYS  23  -0.825  -4.353  -1.703
  172    H    SER  24           H        SER  24   2.703  -2.591   0.236
  173    HA   SER  24           HA       SER  24   4.236  -4.156  -1.537
  174    HB2  SER  24          2HB       SER  24   5.283  -2.441  -0.177
  175    HB3  SER  24          1HB       SER  24   4.749  -3.238   1.299
  176    HG   SER  24           HG       SER  24   6.667  -4.168  -0.589
  177    H    ARG  25           H        ARG  25   4.668  -6.303  -1.525
  178    HA   ARG  25           HA       ARG  25   3.208  -7.984   0.311
  179    HB2  ARG  25          2HB       ARG  25   4.167  -9.877  -1.002
  180    HB3  ARG  25          1HB       ARG  25   3.233  -8.740  -1.958
  181    HG2  ARG  25          2HG       ARG  25   5.287  -7.762  -2.815
  182    HG3  ARG  25          1HG       ARG  25   6.240  -8.869  -1.820
  183    HD2  ARG  25          2HD       ARG  25   6.073  -9.661  -4.128
  184    HD3  ARG  25          1HD       ARG  25   5.281 -10.766  -3.009
  185    HE   ARG  25           HE       ARG  25   3.781  -8.774  -4.563
  186   HH11  ARG  25          1HH1      ARG  25   4.248 -12.173  -3.536
  187   HH12  ARG  25          2HH1      ARG  25   2.867 -12.734  -4.351
  188   HH21  ARG  25          1HH2      ARG  25   1.853  -9.619  -5.661
  189   HH22  ARG  25          2HH2      ARG  25   1.459 -11.260  -5.551
  190    H    LEU  26           H        LEU  26   6.154  -6.542   0.241
  191    HA   LEU  26           HA       LEU  26   7.432  -8.474   2.031
  192    HB2  LEU  26          2HB       LEU  26   8.434  -5.877   0.875
  193    HB3  LEU  26          1HB       LEU  26   9.358  -6.891   1.958
  194    HG   LEU  26           HG       LEU  26   8.447  -7.640  -0.820
  195   HD11  LEU  26          1HD1      LEU  26  10.841  -7.550  -1.332
  196   HD12  LEU  26          2HD1      LEU  26  11.165  -6.975   0.305
  197   HD13  LEU  26          3HD1      LEU  26  10.224  -5.986  -0.810
  198   HD21  LEU  26          1HD2      LEU  26   8.515  -9.559   0.682
  199   HD22  LEU  26          2HD2      LEU  26  10.157  -9.137   1.163
  200   HD23  LEU  26          3HD2      LEU  26   9.822  -9.633  -0.496
  201    H    HIS  27           H        HIS  27   6.503  -5.062   1.982
  202    HA   HIS  27           HA       HIS  27   7.053  -4.896   4.813
  203    HB2  HIS  27          2HB       HIS  27   6.146  -2.781   2.862
  204    HB3  HIS  27          1HB       HIS  27   6.535  -2.486   4.549
  205    HD1  HIS  27          1HD       HIS  27   9.046  -2.231   5.137
  206    HD2  HIS  27          2HD       HIS  27   8.341  -3.426   1.221
  207    HE1  HIS  27          1HE       HIS  27  11.256  -2.034   3.943
  208    H    ARG  28           H        ARG  28   4.378  -5.474   2.835
  209    HA   ARG  28           HA       ARG  28   2.250  -5.945   3.195
  210    HB2  ARG  28          2HB       ARG  28   2.996  -6.012   6.116
  211    HB3  ARG  28          1HB       ARG  28   1.495  -6.635   5.446
  212    HG2  ARG  28          2HG       ARG  28   2.894  -8.171   4.036
  213    HG3  ARG  28          1HG       ARG  28   4.285  -7.655   4.992
  214    HD2  ARG  28          2HD       ARG  28   3.427  -9.693   5.921
  215    HD3  ARG  28          1HD       ARG  28   3.061  -8.373   7.034
  216    HE   ARG  28           HE       ARG  28   0.976  -8.831   5.172
  217   HH11  ARG  28          1HH1      ARG  28   2.270  -9.898   8.285
  218   HH12  ARG  28          2HH1      ARG  28   0.856 -10.670   8.784
  219   HH21  ARG  28          1HH2      ARG  28  -1.004  -9.942   5.865
  220   HH22  ARG  28          2HH2      ARG  28  -1.052 -10.703   7.380
  221    H    TRP  29           H        TRP  29   3.213  -3.151   3.324
  222    HA   TRP  29           HA       TRP  29   0.677  -2.079   4.201
  223    HB2  TRP  29          2HB       TRP  29   1.791  -0.040   5.097
  224    HB3  TRP  29          1HB       TRP  29   2.124  -1.488   6.022
  225    HD1  TRP  29           HD       TRP  29   4.028   0.120   2.999
  226    HE1  TRP  29          1HE       TRP  29   6.510   0.368   3.690
  227    HE3  TRP  29          3HE       TRP  29   3.728  -1.670   7.771
  228    HZ2  TRP  29          2HZ       TRP  29   8.099  -0.105   5.973
  229    HZ3  TRP  29          3HZ       TRP  29   5.770  -1.733   9.145
  230    HH2  TRP  29           HH       TRP  29   7.906  -0.963   8.256
  231    H    CYS  30           H        CYS  30   0.178   0.006   3.242
  232    HA   CYS  30           HA       CYS  30   0.839   0.030   0.457
  233    HB2  CYS  30          2HB       CYS  30  -0.779   1.828   2.213
  234    HB3  CYS  30          1HB       CYS  30  -0.491   2.246   0.539
  235    H    LYS  31           H        LYS  31   2.811   0.523   0.016
  236    HA   LYS  31           HA       LYS  31   4.168   2.643   1.486
  237    HB2  LYS  31          2HB       LYS  31   6.210   1.748   0.561
  238    HB3  LYS  31          1HB       LYS  31   5.260   0.435   1.209
  239    HG2  LYS  31          2HG       LYS  31   4.672  -0.348  -0.937
  240    HG3  LYS  31          1HG       LYS  31   5.238   1.135  -1.709
  241    HD2  LYS  31          2HD       LYS  31   7.527   0.610  -0.924
  242    HD3  LYS  31          1HD       LYS  31   6.927  -0.927  -0.307
  243    HE2  LYS  31          2HE       LYS  31   6.370  -1.674  -2.502
  244    HE3  LYS  31          1HE       LYS  31   6.684  -0.081  -3.190
  245    HZ1  LYS  31          1HZ       LYS  31   8.997  -0.325  -2.611
  246    HZ2  LYS  31          2HZ       LYS  31   8.530  -1.592  -3.606
  247    HZ3  LYS  31          3HZ       LYS  31   8.738  -1.847  -1.948
  248    H    TYR  32           H        TYR  32   5.261   4.332   0.336
  249    HA   TYR  32           HA       TYR  32   3.991   5.095  -2.145
  250    HB2  TYR  32          2HB       TYR  32   6.122   6.414  -0.449
  251    HB3  TYR  32          1HB       TYR  32   5.599   7.065  -1.990
  252    HD1  TYR  32          1HD       TYR  32   4.834   6.710   1.541
  253    HD2  TYR  32          2HD       TYR  32   3.306   7.971  -2.220
  254    HE1  TYR  32          1HE       TYR  32   3.070   7.962   2.686
  255    HE2  TYR  32          2HE       TYR  32   1.537   9.220  -1.092
  256    HH   TYR  32           HH       TYR  32   1.563   9.855   2.234
  257    H    VAL  33           H        VAL  33   4.714   4.196  -3.932
  258    HA   VAL  33           HA       VAL  33   7.562   3.691  -4.065
  259    HB   VAL  33           HB       VAL  33   6.294   1.654  -4.478
  260   HG11  VAL  33          1HG1      VAL  33   4.916   3.090  -6.714
  261   HG12  VAL  33          2HG1      VAL  33   4.196   2.586  -5.186
  262   HG13  VAL  33          3HG1      VAL  33   4.762   1.371  -6.338
  263   HG21  VAL  33          1HG2      VAL  33   7.466   2.703  -7.037
  264   HG22  VAL  33          2HG2      VAL  33   7.129   1.007  -6.689
  265   HG23  VAL  33          3HG2      VAL  33   8.333   1.881  -5.740
  266    H    PHE  34           H        PHE  34   8.415   5.471  -4.610
  267    HA   PHE  34           HA       PHE  34   7.694   6.786  -7.083
  268    HB2  PHE  34          2HB       PHE  34   6.210   7.733  -5.309
  269    HB3  PHE  34          1HB       PHE  34   7.631   8.174  -4.387
  270    HD1  PHE  34          1HD       PHE  34   8.402  10.334  -4.559
  271    HD2  PHE  34          2HD       PHE  34   6.096   8.716  -7.739
  272    HE1  PHE  34          1HE       PHE  34   8.366  12.533  -5.646
  273    HE2  PHE  34          2HE       PHE  34   6.061  10.912  -8.837
  274    HZ   PHE  34           HZ       PHE  34   7.195  12.830  -7.788
  Start of MODEL    5
    1    H1   ASP   1          1HT       ASP   1  -9.486  11.321  -0.287
    2    H2   ASP   1          2HT       ASP   1 -10.613  11.535   0.967
    3    H3   ASP   1          3HT       ASP   1 -10.501  10.059   0.140
    4    HA   ASP   1           HA       ASP   1  -8.317  11.212   1.709
    5    HB2  ASP   1          2HB       ASP   1 -10.166  10.592   3.177
    6    HB3  ASP   1          1HB       ASP   1 -10.244   8.998   2.432
    7    H    CYS   2           H        CYS   2  -6.548  10.605   0.806
    8    HA   CYS   2           HA       CYS   2  -6.495   8.240  -0.849
    9    HB2  CYS   2          2HB       CYS   2  -5.549  10.353  -1.677
   10    HB3  CYS   2          1HB       CYS   2  -4.426  10.372  -0.325
   11    H    LEU   3           H        LEU   3  -5.952   6.361   0.044
   12    HA   LEU   3           HA       LEU   3  -4.671   6.297   2.610
   13    HB2  LEU   3          2HB       LEU   3  -5.555   4.057   0.833
   14    HB3  LEU   3          1HB       LEU   3  -4.925   3.855   2.448
   15    HG   LEU   3           HG       LEU   3  -7.457   5.325   1.762
   16   HD11  LEU   3          1HD1      LEU   3  -7.669   2.904   1.435
   17   HD12  LEU   3          2HD1      LEU   3  -8.604   3.442   2.829
   18   HD13  LEU   3          3HD1      LEU   3  -7.060   2.629   3.068
   19   HD21  LEU   3          1HD2      LEU   3  -7.820   5.280   4.227
   20   HD22  LEU   3          2HD2      LEU   3  -6.451   6.265   3.735
   21   HD23  LEU   3          3HD2      LEU   3  -6.181   4.659   4.415
   22    H    GLY   4           H        GLY   4  -2.748   5.930   3.046
   23    HA2  GLY   4          2HA       GLY   4  -0.824   4.553   1.465
   24    HA3  GLY   4          1HA       GLY   4  -0.618   6.305   1.379
   25    H    ALA   5           H        ALA   5   0.881   6.948   2.662
   26    HA   ALA   5           HA       ALA   5   2.220   7.262   4.465
   27    HB1  ALA   5          1HB       ALA   5   1.048   7.861   6.479
   28    HB2  ALA   5          2HB       ALA   5  -0.388   6.988   5.942
   29    HB3  ALA   5          3HB       ALA   5   0.148   8.426   5.070
   30    H    PHE   6           H        PHE   6   2.062   4.427   3.770
   31    HA   PHE   6           HA       PHE   6   2.892   2.453   4.483
   32    HB2  PHE   6          2HB       PHE   6   3.650   3.959   7.000
   33    HB3  PHE   6          1HB       PHE   6   4.181   2.333   6.607
   34    HD1  PHE   6          1HD       PHE   6   4.597   5.897   5.905
   35    HD2  PHE   6          2HD       PHE   6   5.869   1.969   4.908
   36    HE1  PHE   6          1HE       PHE   6   6.569   6.825   4.779
   37    HE2  PHE   6          2HE       PHE   6   7.843   2.892   3.781
   38    HZ   PHE   6           HZ       PHE   6   8.201   5.315   3.713
   39    H    ARG   7           H        ARG   7   0.104   3.335   5.130
   40    HA   ARG   7           HA       ARG   7  -0.694   2.132   7.579
   41    HB2  ARG   7          2HB       ARG   7  -2.205   2.776   5.045
   42    HB3  ARG   7          1HB       ARG   7  -2.968   2.067   6.460
   43    HG2  ARG   7          2HG       ARG   7  -1.465   4.664   6.582
   44    HG3  ARG   7          1HG       ARG   7  -3.178   4.570   6.166
   45    HD2  ARG   7          2HD       ARG   7  -1.978   3.465   8.706
   46    HD3  ARG   7          1HD       ARG   7  -2.757   5.041   8.564
   47    HE   ARG   7           HE       ARG   7  -4.484   3.095   7.564
   48   HH11  ARG   7          1HH1      ARG   7  -3.147   4.064  10.712
   49   HH12  ARG   7          2HH1      ARG   7  -4.530   3.578  11.581
   50   HH21  ARG   7          1HH2      ARG   7  -6.372   2.457   8.796
   51   HH22  ARG   7          2HH2      ARG   7  -6.385   2.679  10.491
   52    H    LYS   8           H        LYS   8  -1.211   0.078   8.049
   53    HA   LYS   8           HA       LYS   8  -0.347  -1.975   6.300
   54    HB2  LYS   8          2HB       LYS   8  -2.008  -2.213   8.819
   55    HB3  LYS   8          1HB       LYS   8  -1.174  -3.536   8.012
   56    HG2  LYS   8          2HG       LYS   8   0.970  -2.377   8.415
   57    HG3  LYS   8          1HG       LYS   8   0.098  -1.144   9.318
   58    HD2  LYS   8          2HD       LYS   8  -0.708  -2.930  10.854
   59    HD3  LYS   8          1HD       LYS   8   0.313  -4.075   9.986
   60    HE2  LYS   8          2HE       LYS   8   1.243  -1.620  11.475
   61    HE3  LYS   8          1HE       LYS   8   1.438  -3.288  11.998
   62    HZ1  LYS   8          1HZ       LYS   8   2.684  -2.051   9.602
   63    HZ2  LYS   8          2HZ       LYS   8   2.831  -3.665  10.028
   64    HZ3  LYS   8          3HZ       LYS   8   3.479  -2.478  11.027
   65    H    CYS   9           H        CYS   9  -1.462  -3.338   5.035
   66    HA   CYS   9           HA       CYS   9  -4.326  -2.855   4.641
   67    HB2  CYS   9          2HB       CYS   9  -3.736  -2.764   2.159
   68    HB3  CYS   9          1HB       CYS   9  -3.331  -1.342   3.126
   69    H    ILE  10           H        ILE  10  -5.094  -4.410   2.862
   70    HA   ILE  10           HA       ILE  10  -4.123  -7.092   3.432
   71    HB   ILE  10           HB       ILE  10  -6.462  -6.165   1.710
   72   HG12  ILE  10          2HG1      ILE  10  -6.494  -7.249   4.540
   73   HG13  ILE  10          1HG1      ILE  10  -6.739  -5.567   4.089
   74   HG21  ILE  10          1HG2      ILE  10  -7.237  -8.509   1.899
   75   HG22  ILE  10          2HG2      ILE  10  -5.743  -8.908   2.750
   76   HG23  ILE  10          3HG2      ILE  10  -5.685  -8.372   1.072
   77   HD11  ILE  10          1HD1      ILE  10  -8.776  -6.187   2.888
   78   HD12  ILE  10          2HD1      ILE  10  -8.850  -6.677   4.580
   79   HD13  ILE  10          3HD1      ILE  10  -8.522  -7.876   3.329
   80    HA   PRO  11           HA       PRO  11  -1.467  -6.567  -0.088
   81    HB2  PRO  11          2HB       PRO  11  -0.757  -9.182  -0.467
   82    HB3  PRO  11          1HB       PRO  11  -0.067  -8.135   0.777
   83    HG2  PRO  11          2HG       PRO  11  -2.206 -10.200   1.016
   84    HG3  PRO  11          1HG       PRO  11  -0.873  -9.837   2.121
   85    HD2  PRO  11          2HD       PRO  11  -3.396  -8.997   2.582
   86    HD3  PRO  11          1HD       PRO  11  -1.981  -8.052   3.082
   87    H    ASP  12           H        ASP  12  -3.943  -9.111  -0.289
   88    HA   ASP  12           HA       ASP  12  -3.747  -8.995  -3.199
   89    HB2  ASP  12          2HB       ASP  12  -5.528 -10.742  -1.489
   90    HB3  ASP  12          1HB       ASP  12  -5.335 -10.864  -3.231
   91    H    ASN  13           H        ASN  13  -5.424  -7.492  -0.780
   92    HA   ASN  13           HA       ASN  13  -7.494  -6.559  -2.647
   93    HB2  ASN  13          2HB       ASN  13  -7.942  -7.015   0.337
   94    HB3  ASN  13          1HB       ASN  13  -9.119  -6.393  -0.802
   95   HD21  ASN  13          1HD2      ASN  13  -9.267  -8.691   0.976
   96   HD22  ASN  13          2HD2      ASN  13  -9.569 -10.055  -0.023
   97    H    ASP  14           H        ASP  14  -5.696  -5.058  -2.914
   98    HA   ASP  14           HA       ASP  14  -4.874  -3.494  -0.675
   99    HB2  ASP  14          2HB       ASP  14  -3.462  -2.263  -2.268
  100    HB3  ASP  14          1HB       ASP  14  -3.257  -4.008  -2.361
  101    H    LYS  15           H        LYS  15  -5.636  -1.716   0.060
  102    HA   LYS  15           HA       LYS  15  -7.110  -0.000  -1.775
  103    HB2  LYS  15          2HB       LYS  15  -7.546  -0.254   1.215
  104    HB3  LYS  15          1HB       LYS  15  -8.386   0.857   0.143
  105    HG2  LYS  15          2HG       LYS  15  -9.335  -1.077  -1.069
  106    HG3  LYS  15          1HG       LYS  15  -8.547  -2.152   0.081
  107    HD2  LYS  15          2HD       LYS  15 -10.839  -1.882   0.732
  108    HD3  LYS  15          1HD       LYS  15  -9.828  -1.039   1.904
  109    HE2  LYS  15          2HE       LYS  15 -10.307   1.091   0.803
  110    HE3  LYS  15          1HE       LYS  15 -11.288   0.256  -0.404
  111    HZ1  LYS  15          1HZ       LYS  15 -12.781  -0.425   1.375
  112    HZ2  LYS  15          2HZ       LYS  15 -12.635   1.256   1.301
  113    HZ3  LYS  15          3HZ       LYS  15 -11.821   0.383   2.503
  114    H    CYS  16           H        CYS  16  -5.245   1.026  -2.383
  115    HA   CYS  16           HA       CYS  16  -4.298   3.088  -0.598
  116    HB2  CYS  16          2HB       CYS  16  -2.322   1.451  -2.231
  117    HB3  CYS  16          1HB       CYS  16  -1.971   2.590  -0.949
  118    H    CYS  17           H        CYS  17  -3.469   4.838  -2.055
  119    HA   CYS  17           HA       CYS  17  -4.865   4.852  -4.553
  120    HB2  CYS  17          2HB       CYS  17  -2.748   6.813  -3.691
  121    HB3  CYS  17          1HB       CYS  17  -3.984   7.054  -4.912
  122    H    ARG  18           H        ARG  18  -3.986   3.058  -5.613
  123    HA   ARG  18           HA       ARG  18  -1.241   3.014  -6.396
  124    HB2  ARG  18          2HB       ARG  18  -1.864   1.029  -7.743
  125    HB3  ARG  18          1HB       ARG  18  -2.440   0.912  -6.092
  126    HG2  ARG  18          2HG       ARG  18  -4.684   1.637  -6.902
  127    HG3  ARG  18          1HG       ARG  18  -4.053   1.546  -8.549
  128    HD2  ARG  18          2HD       ARG  18  -4.158  -0.719  -6.564
  129    HD3  ARG  18          1HD       ARG  18  -5.255  -0.498  -7.923
  130    HE   ARG  18           HE       ARG  18  -3.039  -0.623  -9.254
  131   HH11  ARG  18          1HH1      ARG  18  -3.708  -2.507  -6.288
  132   HH12  ARG  18          2HH1      ARG  18  -2.902  -3.878  -6.850
  133   HH21  ARG  18          1HH2      ARG  18  -1.859  -2.530  -9.941
  134   HH22  ARG  18          2HH2      ARG  18  -1.794  -3.905  -8.917
  135    HA   PRO  19           HA       PRO  19  -0.109   2.190  -8.039
  136    HB2  PRO  19          2HB       PRO  19   1.615   2.728  -9.980
  137    HB3  PRO  19          1HB       PRO  19   0.103   1.877 -10.324
  138    HG2  PRO  19          2HG       PRO  19   0.875   4.669 -10.951
  139    HG3  PRO  19          1HG       PRO  19  -0.264   3.603 -11.787
  140    HD2  PRO  19          2HD       PRO  19  -0.831   5.641  -9.846
  141    HD3  PRO  19          1HD       PRO  19  -1.982   4.576 -10.671
  142    H    ASN  20           H        ASN  20  -0.367   5.192  -7.176
  143    HA   ASN  20           HA       ASN  20   2.399   6.020  -6.999
  144    HB2  ASN  20          2HB       ASN  20  -0.046   7.170  -5.623
  145    HB3  ASN  20          1HB       ASN  20   1.538   7.932  -5.731
  146   HD21  ASN  20          1HD2      ASN  20   2.193   8.801  -7.707
  147   HD22  ASN  20          2HD2      ASN  20   1.071   9.120  -8.972
  148    H    LEU  21           H        LEU  21  -0.068   4.678  -4.977
  149    HA   LEU  21           HA       LEU  21   1.898   3.976  -2.913
  150    HB2  LEU  21          2HB       LEU  21  -1.035   4.630  -2.463
  151    HB3  LEU  21          1HB       LEU  21   0.230   4.323  -1.280
  152    HG   LEU  21           HG       LEU  21   0.432   6.703  -3.079
  153   HD11  LEU  21          1HD1      LEU  21  -1.677   6.964  -1.976
  154   HD12  LEU  21          2HD1      LEU  21  -0.498   7.997  -1.159
  155   HD13  LEU  21          3HD1      LEU  21  -0.988   6.455  -0.450
  156   HD21  LEU  21          1HD2      LEU  21   2.420   5.969  -1.912
  157   HD22  LEU  21          2HD2      LEU  21   1.547   5.999  -0.379
  158   HD23  LEU  21          3HD2      LEU  21   1.836   7.497  -1.261
  159    H    VAL  22           H        VAL  22   1.986   1.820  -2.857
  160    HA   VAL  22           HA       VAL  22  -0.418   0.333  -3.660
  161    HB   VAL  22           HB       VAL  22   0.916  -1.423  -4.726
  162   HG11  VAL  22          1HG1      VAL  22   1.635  -0.217  -6.742
  163   HG12  VAL  22          2HG1      VAL  22   1.473   1.304  -5.866
  164   HG13  VAL  22          3HG1      VAL  22   0.054   0.303  -6.161
  165   HG21  VAL  22          1HG2      VAL  22   2.999  -1.200  -3.484
  166   HG22  VAL  22          2HG2      VAL  22   3.301   0.366  -4.235
  167   HG23  VAL  22          3HG2      VAL  22   3.312  -1.098  -5.219
  168    H    CYS  23           H        CYS  23  -0.727  -1.713  -2.678
  169    HA   CYS  23           HA       CYS  23   0.394  -1.758  -0.045
  170    HB2  CYS  23          2HB       CYS  23  -2.035  -2.148  -0.469
  171    HB3  CYS  23          1HB       CYS  23  -1.589  -3.589  -1.378
  172    H    SER  24           H        SER  24   2.356  -2.507  -0.026
  173    HA   SER  24           HA       SER  24   3.395  -4.438  -1.816
  174    HB2  SER  24          2HB       SER  24   4.783  -2.774  -0.734
  175    HB3  SER  24          1HB       SER  24   4.344  -3.404   0.850
  176    HG   SER  24           HG       SER  24   5.876  -4.668  -1.179
  177    H    ARG  25           H        ARG  25   3.328  -6.613  -1.612
  178    HA   ARG  25           HA       ARG  25   1.879  -7.704   0.613
  179    HB2  ARG  25          2HB       ARG  25   2.125  -9.871  -0.457
  180    HB3  ARG  25          1HB       ARG  25   1.548  -8.704  -1.627
  181    HG2  ARG  25          2HG       ARG  25   3.792  -8.551  -2.569
  182    HG3  ARG  25          1HG       ARG  25   4.374  -9.710  -1.372
  183    HD2  ARG  25          2HD       ARG  25   2.666 -11.320  -2.260
  184    HD3  ARG  25          1HD       ARG  25   2.354 -10.167  -3.555
  185    HE   ARG  25           HE       ARG  25   5.090 -11.011  -3.170
  186   HH11  ARG  25          1HH1      ARG  25   2.112 -11.342  -5.098
  187   HH12  ARG  25          2HH1      ARG  25   2.864 -12.211  -6.352
  188   HH21  ARG  25          1HH2      ARG  25   6.106 -12.247  -4.924
  189   HH22  ARG  25          2HH2      ARG  25   5.177 -12.757  -6.239
  190    H    LEU  26           H        LEU  26   5.068  -7.089  -0.261
  191    HA   LEU  26           HA       LEU  26   6.335  -8.948   1.521
  192    HB2  LEU  26          2HB       LEU  26   7.469  -8.147  -0.463
  193    HB3  LEU  26          1HB       LEU  26   7.328  -6.491   0.085
  194    HG   LEU  26           HG       LEU  26   8.792  -7.116   2.028
  195   HD11  LEU  26          1HD1      LEU  26  10.186  -9.114   1.809
  196   HD12  LEU  26          2HD1      LEU  26   9.222  -9.628   0.425
  197   HD13  LEU  26          3HD1      LEU  26   8.482  -9.508   2.020
  198   HD21  LEU  26          1HD2      LEU  26  10.844  -6.993   0.730
  199   HD22  LEU  26          2HD2      LEU  26   9.623  -5.893   0.095
  200   HD23  LEU  26          3HD2      LEU  26   9.960  -7.411  -0.736
  201    H    HIS  27           H        HIS  27   5.992  -5.412   1.453
  202    HA   HIS  27           HA       HIS  27   6.948  -5.162   4.145
  203    HB2  HIS  27          2HB       HIS  27   5.645  -3.115   2.337
  204    HB3  HIS  27          1HB       HIS  27   6.342  -2.764   3.902
  205    HD1  HIS  27          1HD       HIS  27   8.906  -2.451   4.001
  206    HD2  HIS  27          2HD       HIS  27   7.508  -3.703   0.294
  207    HE1  HIS  27          1HE       HIS  27  10.783  -2.054   2.411
  208    H    ARG  28           H        ARG  28   3.901  -5.585   2.660
  209    HA   ARG  28           HA       ARG  28   1.879  -5.950   3.368
  210    HB2  ARG  28          2HB       ARG  28   3.200  -6.113   6.059
  211    HB3  ARG  28          1HB       ARG  28   1.463  -6.278   5.898
  212    HG2  ARG  28          2HG       ARG  28   3.562  -8.057   4.659
  213    HG3  ARG  28          1HG       ARG  28   2.539  -8.457   6.034
  214    HD2  ARG  28          2HD       ARG  28   0.624  -7.849   4.303
  215    HD3  ARG  28          1HD       ARG  28   1.868  -8.300   3.136
  216    HE   ARG  28           HE       ARG  28   0.968 -10.055   5.313
  217   HH11  ARG  28          1HH1      ARG  28   2.189  -9.854   2.039
  218   HH12  ARG  28          2HH1      ARG  28   1.481 -11.313   1.505
  219   HH21  ARG  28          1HH2      ARG  28   0.076 -12.057   4.667
  220   HH22  ARG  28          2HH2      ARG  28   0.244 -12.643   3.070
  221    H    TRP  29           H        TRP  29   2.951  -3.212   3.133
  222    HA   TRP  29           HA       TRP  29   0.674  -1.874   4.323
  223    HB2  TRP  29          2HB       TRP  29   2.007   0.032   5.139
  224    HB3  TRP  29          1HB       TRP  29   2.409  -1.452   5.975
  225    HD1  TRP  29           HD       TRP  29   3.910   0.401   2.861
  226    HE1  TRP  29          1HE       TRP  29   6.488   0.439   3.143
  227    HE3  TRP  29          3HE       TRP  29   4.304  -2.069   7.314
  228    HZ2  TRP  29          2HZ       TRP  29   8.391  -0.423   4.999
  229    HZ3  TRP  29          3HZ       TRP  29   6.551  -2.407   8.269
  230    HH2  TRP  29           HH       TRP  29   8.540  -1.596   7.131
  231    H    CYS  30           H        CYS  30   0.315   0.286   3.447
  232    HA   CYS  30           HA       CYS  30   0.635   0.390   0.606
  233    HB2  CYS  30          2HB       CYS  30  -0.285   2.524   2.545
  234    HB3  CYS  30          1HB       CYS  30  -0.423   2.641   0.805
  235    H    LYS  31           H        LYS  31   2.650   0.628  -0.069
  236    HA   LYS  31           HA       LYS  31   4.395   2.546   1.280
  237    HB2  LYS  31          2HB       LYS  31   6.244   1.417   0.160
  238    HB3  LYS  31          1HB       LYS  31   5.275   0.273   1.069
  239    HG2  LYS  31          2HG       LYS  31   4.216  -0.469  -0.986
  240    HG3  LYS  31          1HG       LYS  31   5.143   0.718  -1.900
  241    HD2  LYS  31          2HD       LYS  31   6.331  -1.533  -0.274
  242    HD3  LYS  31          1HD       LYS  31   6.092  -1.551  -2.024
  243    HE2  LYS  31          2HE       LYS  31   7.617   0.360  -2.221
  244    HE3  LYS  31          1HE       LYS  31   7.865   0.341  -0.475
  245    HZ1  LYS  31          1HZ       LYS  31   8.508  -1.893  -2.312
  246    HZ2  LYS  31          2HZ       LYS  31   8.845  -1.862  -0.655
  247    HZ3  LYS  31          3HZ       LYS  31   9.629  -0.816  -1.701
  248    H    TYR  32           H        TYR  32   5.886   3.722  -0.130
  249    HA   TYR  32           HA       TYR  32   4.398   5.076  -2.229
  250    HB2  TYR  32          2HB       TYR  32   7.004   5.726  -0.827
  251    HB3  TYR  32          1HB       TYR  32   6.236   6.736  -2.043
  252    HD1  TYR  32          1HD       TYR  32   4.599   8.262  -1.448
  253    HD2  TYR  32          2HD       TYR  32   5.759   5.307   1.355
  254    HE1  TYR  32          1HE       TYR  32   3.282   9.400   0.284
  255    HE2  TYR  32          2HE       TYR  32   4.455   6.418   3.099
  256    HH   TYR  32           HH       TYR  32   2.215   8.869   2.412
  257    H    VAL  33           H        VAL  33   4.806   4.585  -4.275
  258    HA   VAL  33           HA       VAL  33   7.409   3.405  -4.818
  259    HB   VAL  33           HB       VAL  33   6.315   2.048  -6.708
  260   HG11  VAL  33          1HG1      VAL  33   5.689   1.398  -3.829
  261   HG12  VAL  33          2HG1      VAL  33   7.192   1.025  -4.680
  262   HG13  VAL  33          3HG1      VAL  33   5.688   0.239  -5.157
  263   HG21  VAL  33          1HG2      VAL  33   3.873   2.632  -5.041
  264   HG22  VAL  33          2HG2      VAL  33   3.964   1.470  -6.372
  265   HG23  VAL  33          3HG2      VAL  33   4.163   3.199  -6.681
  266    H    PHE  34           H        PHE  34   8.466   4.903  -5.621
  267    HA   PHE  34           HA       PHE  34   7.463   6.474  -7.857
  268    HB2  PHE  34          2HB       PHE  34  10.011   6.683  -6.230
  269    HB3  PHE  34          1HB       PHE  34   9.612   7.725  -7.587
  270    HD1  PHE  34          1HD       PHE  34   7.988   9.474  -7.369
  271    HD2  PHE  34          2HD       PHE  34   8.831   6.883  -4.104
  272    HE1  PHE  34          1HE       PHE  34   6.837  11.020  -5.847
  273    HE2  PHE  34          2HE       PHE  34   7.680   8.418  -2.582
  274    HZ   PHE  34           HZ       PHE  34   6.681  10.495  -3.449
  Start of MODEL    6
    1    H1   ASP   1          1HT       ASP   1 -10.289  10.048   0.299
    2    H2   ASP   1          2HT       ASP   1  -9.581  10.839  -1.015
    3    H3   ASP   1          3HT       ASP   1 -10.283  11.742   0.228
    4    HA   ASP   1           HA       ASP   1  -7.901  11.778   0.303
    5    HB2  ASP   1          2HB       ASP   1  -9.264  10.320   2.587
    6    HB3  ASP   1          1HB       ASP   1  -7.673  11.060   2.697
    7    H    CYS   2           H        CYS   2  -6.258  10.746  -0.473
    8    HA   CYS   2           HA       CYS   2  -6.322   8.010  -1.100
    9    HB2  CYS   2          2HB       CYS   2  -4.233  10.130  -1.273
   10    HB3  CYS   2          1HB       CYS   2  -3.840   8.459  -1.632
   11    H    LEU   3           H        LEU   3  -5.889   6.329   0.085
   12    HA   LEU   3           HA       LEU   3  -4.584   6.569   2.632
   13    HB2  LEU   3          2HB       LEU   3  -5.350   4.098   1.094
   14    HB3  LEU   3          1HB       LEU   3  -4.904   4.166   2.781
   15    HG   LEU   3           HG       LEU   3  -7.385   5.364   1.571
   16   HD11  LEU   3          1HD1      LEU   3  -7.457   2.944   1.673
   17   HD12  LEU   3          2HD1      LEU   3  -8.555   3.653   2.857
   18   HD13  LEU   3          3HD1      LEU   3  -7.003   2.992   3.376
   19   HD21  LEU   3          1HD2      LEU   3  -6.608   6.705   3.444
   20   HD22  LEU   3          2HD2      LEU   3  -6.463   5.259   4.442
   21   HD23  LEU   3          3HD2      LEU   3  -8.052   5.799   3.900
   22    H    GLY   4           H        GLY   4  -2.544   6.161   3.057
   23    HA2  GLY   4          2HA       GLY   4  -0.821   4.582   1.472
   24    HA3  GLY   4          1HA       GLY   4  -0.565   6.304   1.186
   25    H    ALA   5           H        ALA   5   1.189   6.892   2.231
   26    HA   ALA   5           HA       ALA   5   2.683   7.293   3.846
   27    HB1  ALA   5          1HB       ALA   5   1.817   8.064   5.940
   28    HB2  ALA   5          2HB       ALA   5   0.271   7.264   5.641
   29    HB3  ALA   5          3HB       ALA   5   0.779   8.620   4.626
   30    H    PHE   6           H        PHE   6   2.239   4.447   3.353
   31    HA   PHE   6           HA       PHE   6   2.996   2.475   4.053
   32    HB2  PHE   6          2HB       PHE   6   4.302   4.038   6.298
   33    HB3  PHE   6          1HB       PHE   6   4.656   2.365   5.890
   34    HD1  PHE   6          1HD       PHE   6   5.820   1.837   3.796
   35    HD2  PHE   6          2HD       PHE   6   5.195   5.850   5.046
   36    HE1  PHE   6          1HE       PHE   6   7.555   2.598   2.218
   37    HE2  PHE   6          2HE       PHE   6   6.926   6.621   3.477
   38    HZ   PHE   6           HZ       PHE   6   8.108   4.990   2.061
   39    H    ARG   7           H        ARG   7   0.408   3.491   4.974
   40    HA   ARG   7           HA       ARG   7   0.072   2.277   7.599
   41    HB2  ARG   7          2HB       ARG   7  -2.041   3.299   5.658
   42    HB3  ARG   7          1HB       ARG   7  -2.323   2.844   7.330
   43    HG2  ARG   7          2HG       ARG   7  -0.553   5.124   6.457
   44    HG3  ARG   7          1HG       ARG   7  -2.234   5.300   6.938
   45    HD2  ARG   7          2HD       ARG   7  -0.089   4.143   8.716
   46    HD3  ARG   7          1HD       ARG   7  -0.530   5.846   8.703
   47    HE   ARG   7           HE       ARG   7  -2.756   4.073   9.135
   48   HH11  ARG   7          1HH1      ARG   7  -0.107   5.749  10.775
   49   HH12  ARG   7          2HH1      ARG   7  -0.918   5.940  12.256
   50   HH21  ARG   7          1HH2      ARG   7  -3.887   4.301  11.162
   51   HH22  ARG   7          2HH2      ARG   7  -3.156   5.083  12.488
   52    H    LYS   8           H        LYS   8  -1.398   0.449   7.870
   53    HA   LYS   8           HA       LYS   8  -0.550  -1.729   6.382
   54    HB2  LYS   8          2HB       LYS   8  -2.265  -3.027   7.564
   55    HB3  LYS   8          1HB       LYS   8  -1.303  -2.011   8.628
   56    HG2  LYS   8          2HG       LYS   8  -3.155  -0.421   8.763
   57    HG3  LYS   8          1HG       LYS   8  -4.091  -1.429   7.654
   58    HD2  LYS   8          2HD       LYS   8  -3.984  -3.280   9.242
   59    HD3  LYS   8          1HD       LYS   8  -3.050  -2.276  10.348
   60    HE2  LYS   8          2HE       LYS   8  -4.919  -0.750  10.585
   61    HE3  LYS   8          1HE       LYS   8  -5.850  -1.677   9.408
   62    HZ1  LYS   8          1HZ       LYS   8  -6.454  -2.215  11.705
   63    HZ2  LYS   8          2HZ       LYS   8  -4.885  -2.728  12.007
   64    HZ3  LYS   8          3HZ       LYS   8  -5.835  -3.543  10.886
   65    H    CYS   9           H        CYS   9  -1.512  -3.199   4.956
   66    HA   CYS   9           HA       CYS   9  -4.105  -2.643   3.857
   67    HB2  CYS   9          2HB       CYS   9  -3.255  -2.779   1.506
   68    HB3  CYS   9          1HB       CYS   9  -2.726  -1.326   2.347
   69    H    ILE  10           H        ILE  10  -4.783  -4.458   2.425
   70    HA   ILE  10           HA       ILE  10  -3.610  -6.971   3.293
   71    HB   ILE  10           HB       ILE  10  -6.192  -6.335   1.815
   72   HG12  ILE  10          2HG1      ILE  10  -5.677  -7.403   4.603
   73   HG13  ILE  10          1HG1      ILE  10  -6.183  -5.769   4.201
   74   HG21  ILE  10          1HG2      ILE  10  -5.157  -9.048   2.646
   75   HG22  ILE  10          2HG2      ILE  10  -5.351  -8.468   0.995
   76   HG23  ILE  10          3HG2      ILE  10  -6.769  -8.721   2.012
   77   HD11  ILE  10          1HD1      ILE  10  -8.038  -7.079   5.032
   78   HD12  ILE  10          2HD1      ILE  10  -7.770  -8.285   3.774
   79   HD13  ILE  10          3HD1      ILE  10  -8.296  -6.660   3.336
   80    HA   PRO  11           HA       PRO  11  -0.980  -6.677  -0.204
   81    HB2  PRO  11          2HB       PRO  11  -0.282  -9.340  -0.422
   82    HB3  PRO  11          1HB       PRO  11   0.408  -8.174   0.720
   83    HG2  PRO  11          2HG       PRO  11  -1.777 -10.156   1.169
   84    HG3  PRO  11          1HG       PRO  11  -0.382  -9.782   2.198
   85    HD2  PRO  11          2HD       PRO  11  -2.771  -8.790   2.762
   86    HD3  PRO  11          1HD       PRO  11  -1.322  -7.774   2.943
   87    H    ASP  12           H        ASP  12  -3.501  -9.174  -0.419
   88    HA   ASP  12           HA       ASP  12  -3.213  -9.128  -3.348
   89    HB2  ASP  12          2HB       ASP  12  -4.435 -11.195  -3.411
   90    HB3  ASP  12          1HB       ASP  12  -3.186 -11.341  -2.182
   91    H    ASN  13           H        ASN  13  -4.905  -7.463  -1.152
   92    HA   ASN  13           HA       ASN  13  -6.994  -6.750  -2.966
   93    HB2  ASN  13          2HB       ASN  13  -7.916  -8.849  -1.905
   94    HB3  ASN  13          1HB       ASN  13  -7.775  -8.077  -0.339
   95   HD21  ASN  13          1HD2      ASN  13  -9.497  -8.132  -3.355
   96   HD22  ASN  13          2HD2      ASN  13 -10.852  -7.203  -2.819
   97    H    ASP  14           H        ASP  14  -5.538  -4.985  -2.571
   98    HA   ASP  14           HA       ASP  14  -5.486  -3.852   0.101
   99    HB2  ASP  14          2HB       ASP  14  -3.775  -2.363  -0.690
  100    HB3  ASP  14          1HB       ASP  14  -3.380  -4.036  -1.062
  101    H    LYS  15           H        LYS  15  -5.844  -1.786   0.562
  102    HA   LYS  15           HA       LYS  15  -7.338  -0.217  -1.383
  103    HB2  LYS  15          2HB       LYS  15  -7.595  -0.225   1.623
  104    HB3  LYS  15          1HB       LYS  15  -8.435   0.879   0.553
  105    HG2  LYS  15          2HG       LYS  15  -9.582  -1.074  -0.472
  106    HG3  LYS  15          1HG       LYS  15  -8.778  -2.111   0.702
  107    HD2  LYS  15          2HD       LYS  15 -10.931  -1.730   1.581
  108    HD3  LYS  15          1HD       LYS  15  -9.871  -0.677   2.502
  109    HE2  LYS  15          2HE       LYS  15 -11.626   0.157   0.182
  110    HE3  LYS  15          1HE       LYS  15 -11.988   0.421   1.881
  111    HZ1  LYS  15          1HZ       LYS  15 -11.172   2.428   0.964
  112    HZ2  LYS  15          2HZ       LYS  15  -9.882   1.716   0.233
  113    HZ3  LYS  15          3HZ       LYS  15  -9.914   1.854   1.929
  114    H    CYS  16           H        CYS  16  -5.446   0.676  -2.133
  115    HA   CYS  16           HA       CYS  16  -4.248   2.698  -0.406
  116    HB2  CYS  16          2HB       CYS  16  -2.689   0.941  -2.346
  117    HB3  CYS  16          1HB       CYS  16  -2.028   2.201  -1.322
  118    H    CYS  17           H        CYS  17  -3.682   4.551  -1.624
  119    HA   CYS  17           HA       CYS  17  -5.306   4.976  -3.923
  120    HB2  CYS  17          2HB       CYS  17  -4.940   6.728  -2.302
  121    HB3  CYS  17          1HB       CYS  17  -3.211   6.682  -2.601
  122    H    ARG  18           H        ARG  18  -4.765   3.948  -5.714
  123    HA   ARG  18           HA       ARG  18  -2.048   3.476  -6.528
  124    HB2  ARG  18          2HB       ARG  18  -4.549   3.104  -8.201
  125    HB3  ARG  18          1HB       ARG  18  -3.027   2.251  -8.359
  126    HG2  ARG  18          2HG       ARG  18  -5.006   1.948  -6.097
  127    HG3  ARG  18          1HG       ARG  18  -4.768   0.822  -7.424
  128    HD2  ARG  18          2HD       ARG  18  -2.639   1.550  -5.409
  129    HD3  ARG  18          1HD       ARG  18  -3.697   0.155  -5.257
  130    HE   ARG  18           HE       ARG  18  -1.957   0.481  -7.592
  131   HH11  ARG  18          1HH1      ARG  18  -2.948  -1.472  -4.715
  132   HH12  ARG  18          2HH1      ARG  18  -2.051  -2.794  -5.204
  133   HH21  ARG  18          1HH2      ARG  18  -0.697  -1.382  -8.151
  134   HH22  ARG  18          2HH2      ARG  18  -0.710  -2.754  -7.133
  135    HA   PRO  19           HA       PRO  19  -1.109   3.143  -8.429
  136    HB2  PRO  19          2HB       PRO  19   0.500   3.794 -10.399
  137    HB3  PRO  19          1HB       PRO  19  -1.224   3.557 -10.721
  138    HG2  PRO  19          2HG       PRO  19   0.321   6.099 -10.523
  139    HG3  PRO  19          1HG       PRO  19  -1.040   5.696 -11.578
  140    HD2  PRO  19          2HD       PRO  19  -1.145   7.082  -9.095
  141    HD3  PRO  19          1HD       PRO  19  -2.524   6.507 -10.051
  142    H    ASN  20           H        ASN  20  -0.508   5.919  -6.941
  143    HA   ASN  20           HA       ASN  20   2.392   5.796  -6.889
  144    HB2  ASN  20          2HB       ASN  20   0.490   7.613  -5.395
  145    HB3  ASN  20          1HB       ASN  20   2.238   7.661  -5.204
  146   HD21  ASN  20          1HD2      ASN  20  -0.437   8.462  -7.214
  147   HD22  ASN  20          2HD2      ASN  20   0.440   9.395  -8.369
  148    H    LEU  21           H        LEU  21  -0.299   4.860  -4.877
  149    HA   LEU  21           HA       LEU  21   1.605   3.800  -2.952
  150    HB2  LEU  21          2HB       LEU  21  -1.374   4.377  -2.643
  151    HB3  LEU  21          1HB       LEU  21  -0.388   3.483  -1.517
  152    HG   LEU  21           HG       LEU  21  -0.802   5.652  -0.719
  153   HD11  LEU  21          1HD1      LEU  21   1.488   6.212  -0.140
  154   HD12  LEU  21          2HD1      LEU  21   2.062   5.142  -1.412
  155   HD13  LEU  21          3HD1      LEU  21   1.161   4.483  -0.046
  156   HD21  LEU  21          1HD2      LEU  21   0.767   6.681  -3.088
  157   HD22  LEU  21          2HD2      LEU  21   0.248   7.648  -1.705
  158   HD23  LEU  21          3HD2      LEU  21  -0.950   6.942  -2.790
  159    H    VAL  22           H        VAL  22   1.978   1.790  -3.080
  160    HA   VAL  22           HA       VAL  22  -0.064   0.002  -4.179
  161    HB   VAL  22           HB       VAL  22   1.763  -1.478  -5.000
  162   HG11  VAL  22          1HG1      VAL  22   1.877   1.329  -6.086
  163   HG12  VAL  22          2HG1      VAL  22   0.742   0.064  -6.561
  164   HG13  VAL  22          3HG1      VAL  22   2.462  -0.111  -6.916
  165   HG21  VAL  22          1HG2      VAL  22   3.596   0.807  -4.244
  166   HG22  VAL  22          2HG2      VAL  22   4.070  -0.621  -5.165
  167   HG23  VAL  22          3HG2      VAL  22   3.552  -0.785  -3.487
  168    H    CYS  23           H        CYS  23   0.059  -2.191  -3.253
  169    HA   CYS  23           HA       CYS  23   0.648  -1.905  -0.425
  170    HB2  CYS  23          2HB       CYS  23  -1.582  -2.692  -1.196
  171    HB3  CYS  23          1HB       CYS  23  -0.806  -4.100  -1.900
  172    H    SER  24           H        SER  24   2.437  -2.712   0.357
  173    HA   SER  24           HA       SER  24   4.238  -4.304  -1.140
  174    HB2  SER  24          2HB       SER  24   5.002  -2.815   0.666
  175    HB3  SER  24          1HB       SER  24   4.072  -3.739   1.839
  176    HG   SER  24           HG       SER  24   6.410  -4.438   0.449
  177    H    ARG  25           H        ARG  25   4.294  -6.550  -1.294
  178    HA   ARG  25           HA       ARG  25   2.101  -7.916  -0.060
  179    HB2  ARG  25          2HB       ARG  25   2.908  -9.994  -1.122
  180    HB3  ARG  25          1HB       ARG  25   2.663  -8.693  -2.267
  181    HG2  ARG  25          2HG       ARG  25   4.939  -8.430  -2.637
  182    HG3  ARG  25          1HG       ARG  25   5.370  -9.265  -1.141
  183    HD2  ARG  25          2HD       ARG  25   5.766 -10.619  -3.172
  184    HD3  ARG  25          1HD       ARG  25   4.659 -11.367  -2.032
  185    HE   ARG  25           HE       ARG  25   3.762  -9.944  -4.454
  186   HH11  ARG  25          1HH1      ARG  25   3.522 -12.704  -2.238
  187   HH12  ARG  25          2HH1      ARG  25   2.357 -13.517  -3.162
  188   HH21  ARG  25          1HH2      ARG  25   2.110 -11.075  -5.700
  189   HH22  ARG  25          2HH2      ARG  25   1.536 -12.578  -5.151
  190    H    LEU  26           H        LEU  26   5.485  -7.607   0.490
  191    HA   LEU  26           HA       LEU  26   5.550  -9.736   2.427
  192    HB2  LEU  26          2HB       LEU  26   7.607  -7.640   1.745
  193    HB3  LEU  26          1HB       LEU  26   7.864  -8.995   2.821
  194    HG   LEU  26           HG       LEU  26   7.304  -9.203  -0.142
  195   HD11  LEU  26          1HD1      LEU  26   9.502  -8.275   0.320
  196   HD12  LEU  26          2HD1      LEU  26   9.624  -9.915  -0.318
  197   HD13  LEU  26          3HD1      LEU  26   9.851  -9.621   1.406
  198   HD21  LEU  26          1HD2      LEU  26   6.448 -11.135   1.061
  199   HD22  LEU  26          2HD2      LEU  26   7.986 -11.314   1.904
  200   HD23  LEU  26          3HD2      LEU  26   7.901 -11.573   0.162
  201    H    HIS  27           H        HIS  27   5.624  -6.181   2.461
  202    HA   HIS  27           HA       HIS  27   5.722  -6.259   5.357
  203    HB2  HIS  27          2HB       HIS  27   5.896  -3.945   3.445
  204    HB3  HIS  27          1HB       HIS  27   5.960  -3.787   5.192
  205    HD1  HIS  27          1HD       HIS  27   8.170  -4.461   6.345
  206    HD2  HIS  27          2HD       HIS  27   8.153  -5.016   2.236
  207    HE1  HIS  27          1HE       HIS  27  10.578  -4.805   5.694
  208    H    ARG  28           H        ARG  28   3.401  -6.111   2.997
  209    HA   ARG  28           HA       ARG  28   1.335  -5.417   2.800
  210    HB2  ARG  28          2HB       ARG  28  -0.256  -6.270   4.552
  211    HB3  ARG  28          1HB       ARG  28   0.849  -7.448   3.879
  212    HG2  ARG  28          2HG       ARG  28   2.195  -7.369   5.888
  213    HG3  ARG  28          1HG       ARG  28   1.178  -6.101   6.560
  214    HD2  ARG  28          2HD       ARG  28   0.323  -8.918   5.876
  215    HD3  ARG  28          1HD       ARG  28   0.580  -8.272   7.495
  216    HE   ARG  28           HE       ARG  28  -1.253  -6.610   6.643
  217   HH11  ARG  28          1HH1      ARG  28  -1.147 -10.151   6.319
  218   HH12  ARG  28          2HH1      ARG  28  -2.839 -10.321   6.205
  219   HH21  ARG  28          1HH2      ARG  28  -3.615  -6.888   6.555
  220   HH22  ARG  28          2HH2      ARG  28  -4.259  -8.455   6.391
  221    H    TRP  29           H        TRP  29   2.525  -3.234   3.073
  222    HA   TRP  29           HA       TRP  29   0.478  -1.647   4.335
  223    HB2  TRP  29          2HB       TRP  29   2.081   0.060   5.138
  224    HB3  TRP  29          1HB       TRP  29   2.314  -1.474   5.947
  225    HD1  TRP  29           HD       TRP  29   3.932  -0.123   2.652
  226    HE1  TRP  29          1HE       TRP  29   6.500  -0.266   2.916
  227    HE3  TRP  29          3HE       TRP  29   4.137  -1.846   7.445
  228    HZ2  TRP  29          2HZ       TRP  29   8.356  -0.978   4.932
  229    HZ3  TRP  29          3HZ       TRP  29   6.343  -2.213   8.477
  230    HH2  TRP  29           HH       TRP  29   8.400  -1.785   7.237
  231    H    CYS  30           H        CYS  30   0.225   0.422   3.394
  232    HA   CYS  30           HA       CYS  30   0.528   0.372   0.559
  233    HB2  CYS  30          2HB       CYS  30  -0.386   2.542   2.443
  234    HB3  CYS  30          1HB       CYS  30  -0.513   2.664   0.706
  235    H    LYS  31           H        LYS  31   2.548   0.534  -0.114
  236    HA   LYS  31           HA       LYS  31   4.322   2.546   1.061
  237    HB2  LYS  31          2HB       LYS  31   6.148   1.356  -0.102
  238    HB3  LYS  31          1HB       LYS  31   5.276   0.295   0.985
  239    HG2  LYS  31          2HG       LYS  31   4.119  -0.735  -0.856
  240    HG3  LYS  31          1HG       LYS  31   4.799   0.432  -1.982
  241    HD2  LYS  31          2HD       LYS  31   6.568  -1.389  -0.366
  242    HD3  LYS  31          1HD       LYS  31   5.826  -1.944  -1.858
  243    HE2  LYS  31          2HE       LYS  31   8.072  -1.201  -2.344
  244    HE3  LYS  31          1HE       LYS  31   6.943  -0.065  -3.058
  245    HZ1  LYS  31          1HZ       LYS  31   8.414   0.366  -0.507
  246    HZ2  LYS  31          2HZ       LYS  31   7.451   1.519  -1.321
  247    HZ3  LYS  31          3HZ       LYS  31   8.863   0.973  -2.005
  248    H    TYR  32           H        TYR  32   5.679   3.700  -0.494
  249    HA   TYR  32           HA       TYR  32   4.041   4.573  -2.701
  250    HB2  TYR  32          2HB       TYR  32   6.649   5.660  -1.589
  251    HB3  TYR  32          1HB       TYR  32   5.746   6.367  -2.929
  252    HD1  TYR  32          1HD       TYR  32   3.582   7.437  -2.546
  253    HD2  TYR  32          2HD       TYR  32   5.912   5.967   0.688
  254    HE1  TYR  32          1HE       TYR  32   2.202   8.700  -0.996
  255    HE2  TYR  32          2HE       TYR  32   4.545   7.239   2.260
  256    HH   TYR  32           HH       TYR  32   3.102   9.194   2.258
  257    H    VAL  33           H        VAL  33   4.905   4.678  -4.795
  258    HA   VAL  33           HA       VAL  33   6.349   2.369  -5.490
  259    HB   VAL  33           HB       VAL  33   6.377   3.320  -7.865
  260   HG11  VAL  33          1HG1      VAL  33   3.750   3.051  -6.402
  261   HG12  VAL  33          2HG1      VAL  33   4.713   1.724  -7.052
  262   HG13  VAL  33          3HG1      VAL  33   3.971   2.894  -8.144
  263   HG21  VAL  33          1HG2      VAL  33   4.602   5.401  -6.565
  264   HG22  VAL  33          2HG2      VAL  33   4.863   5.211  -8.299
  265   HG23  VAL  33          3HG2      VAL  33   6.195   5.702  -7.250
  266    H    PHE  34           H        PHE  34   8.079   2.571  -4.241
  267    HA   PHE  34           HA       PHE  34  10.407   3.439  -5.639
  268    HB2  PHE  34          2HB       PHE  34   9.794   5.369  -4.087
  269    HB3  PHE  34          1HB       PHE  34   9.959   4.249  -2.740
  270    HD1  PHE  34          1HD       PHE  34  11.730   6.066  -5.393
  271    HD2  PHE  34          2HD       PHE  34  12.145   3.596  -1.952
  272    HE1  PHE  34          1HE       PHE  34  14.125   6.592  -5.309
  273    HE2  PHE  34          2HE       PHE  34  14.546   4.118  -1.865
  274    HZ   PHE  34           HZ       PHE  34  15.541   5.616  -3.537
  Start of MODEL    7
    1    H1   ASP   1          1HT       ASP   1  -6.561  13.195  -3.213
    2    H2   ASP   1          2HT       ASP   1  -7.928  13.923  -2.504
    3    H3   ASP   1          3HT       ASP   1  -8.002  12.377  -3.157
    4    HA   ASP   1           HA       ASP   1  -6.277  12.964  -0.874
    5    HB2  ASP   1          2HB       ASP   1  -9.029  11.691  -0.956
    6    HB3  ASP   1          1HB       ASP   1  -7.969  11.688   0.444
    7    H    CYS   2           H        CYS   2  -5.225  11.077  -0.159
    8    HA   CYS   2           HA       CYS   2  -5.701   8.743  -1.814
    9    HB2  CYS   2          2HB       CYS   2  -3.713   9.802  -2.745
   10    HB3  CYS   2          1HB       CYS   2  -2.981   9.865  -1.147
   11    H    LEU   3           H        LEU   3  -5.726   6.910  -0.766
   12    HA   LEU   3           HA       LEU   3  -5.373   6.950   2.128
   13    HB2  LEU   3          2HB       LEU   3  -6.359   4.764   0.305
   14    HB3  LEU   3          1HB       LEU   3  -6.454   4.794   2.050
   15    HG   LEU   3           HG       LEU   3  -7.929   6.672   0.220
   16   HD11  LEU   3          1HD1      LEU   3  -8.690   4.382  -0.038
   17   HD12  LEU   3          2HD1      LEU   3  -9.888   5.371   0.793
   18   HD13  LEU   3          3HD1      LEU   3  -8.892   4.243   1.711
   19   HD21  LEU   3          1HD2      LEU   3  -7.522   7.632   2.419
   20   HD22  LEU   3          2HD2      LEU   3  -8.158   6.180   3.192
   21   HD23  LEU   3          3HD2      LEU   3  -9.226   7.214   2.241
   22    H    GLY   4           H        GLY   4  -3.975   5.368   3.110
   23    HA2  GLY   4          2HA       GLY   4  -2.519   3.390   2.208
   24    HA3  GLY   4          1HA       GLY   4  -1.714   4.726   1.401
   25    H    ALA   5           H        ALA   5  -0.683   6.299   2.648
   26    HA   ALA   5           HA       ALA   5   0.874   6.900   4.211
   27    HB1  ALA   5          1HB       ALA   5  -0.096   7.466   6.343
   28    HB2  ALA   5          2HB       ALA   5  -1.477   6.415   6.019
   29    HB3  ALA   5          3HB       ALA   5  -1.214   7.860   5.036
   30    H    PHE   6           H        PHE   6   1.353   4.183   3.661
   31    HA   PHE   6           HA       PHE   6   2.543   2.435   4.388
   32    HB2  PHE   6          2HB       PHE   6   2.995   4.067   6.900
   33    HB3  PHE   6          1HB       PHE   6   3.876   2.618   6.454
   34    HD1  PHE   6          1HD       PHE   6   3.747   6.153   6.284
   35    HD2  PHE   6          2HD       PHE   6   5.226   2.710   4.266
   36    HE1  PHE   6          1HE       PHE   6   5.421   7.545   5.149
   37    HE2  PHE   6          2HE       PHE   6   6.899   4.098   3.121
   38    HZ   PHE   6           HZ       PHE   6   7.001   6.524   3.568
   39    H    ARG   7           H        ARG   7  -0.383   2.661   5.058
   40    HA   ARG   7           HA       ARG   7  -0.585   1.293   7.582
   41    HB2  ARG   7          2HB       ARG   7  -2.697   1.627   5.437
   42    HB3  ARG   7          1HB       ARG   7  -2.974   0.915   7.008
   43    HG2  ARG   7          2HG       ARG   7  -2.353   3.793   6.367
   44    HG3  ARG   7          1HG       ARG   7  -3.853   3.132   6.998
   45    HD2  ARG   7          2HD       ARG   7  -2.841   4.114   8.853
   46    HD3  ARG   7          1HD       ARG   7  -2.436   2.404   9.015
   47    HE   ARG   7           HE       ARG   7  -0.518   4.034   7.615
   48   HH11  ARG   7          1HH1      ARG   7  -1.394   2.584  10.717
   49   HH12  ARG   7          2HH1      ARG   7   0.154   2.800  11.394
   50   HH21  ARG   7          1HH2      ARG   7   1.527   4.375   8.532
   51   HH22  ARG   7          2HH2      ARG   7   1.883   3.838  10.114
   52    H    LYS   8           H        LYS   8  -0.603  -0.774   7.945
   53    HA   LYS   8           HA       LYS   8   0.260  -2.571   5.981
   54    HB2  LYS   8          2HB       LYS   8  -0.961  -3.120   8.690
   55    HB3  LYS   8          1HB       LYS   8  -0.305  -4.383   7.652
   56    HG2  LYS   8          2HG       LYS   8   1.888  -3.239   7.683
   57    HG3  LYS   8          1HG       LYS   8   1.226  -2.051   8.802
   58    HD2  LYS   8          2HD       LYS   8   1.409  -5.021   9.324
   59    HD3  LYS   8          1HD       LYS   8   2.558  -3.825   9.911
   60    HE2  LYS   8          2HE       LYS   8  -0.383  -3.919  10.581
   61    HE3  LYS   8          1HE       LYS   8   0.929  -4.466  11.621
   62    HZ1  LYS   8          1HZ       LYS   8   0.190  -2.260  12.237
   63    HZ2  LYS   8          2HZ       LYS   8   0.513  -1.669  10.703
   64    HZ3  LYS   8          3HZ       LYS   8   1.769  -2.184  11.678
   65    H    CYS   9           H        CYS   9  -0.710  -3.807   4.603
   66    HA   CYS   9           HA       CYS   9  -3.579  -3.282   4.298
   67    HB2  CYS   9          2HB       CYS   9  -3.048  -3.349   1.850
   68    HB3  CYS   9          1HB       CYS   9  -2.382  -1.982   2.746
   69    H    ILE  10           H        ILE  10  -4.700  -4.740   2.928
   70    HA   ILE  10           HA       ILE  10  -3.847  -7.515   3.153
   71    HB   ILE  10           HB       ILE  10  -6.531  -6.287   2.403
   72   HG12  ILE  10          2HG1      ILE  10  -6.048  -5.904   4.759
   73   HG13  ILE  10          1HG1      ILE  10  -7.337  -7.088   4.592
   74   HG21  ILE  10          1HG2      ILE  10  -5.850  -9.178   2.902
   75   HG22  ILE  10          2HG2      ILE  10  -6.236  -8.449   1.343
   76   HG23  ILE  10          3HG2      ILE  10  -7.466  -8.540   2.602
   77   HD11  ILE  10          1HD1      ILE  10  -4.452  -7.676   5.225
   78   HD12  ILE  10          2HD1      ILE  10  -5.730  -8.877   5.047
   79   HD13  ILE  10          3HD1      ILE  10  -5.804  -7.701   6.358
   80    HA   PRO  11           HA       PRO  11  -2.456  -6.611  -1.062
   81    HB2  PRO  11          2HB       PRO  11  -1.913  -9.241  -1.727
   82    HB3  PRO  11          1HB       PRO  11  -0.800  -8.147  -0.903
   83    HG2  PRO  11          2HG       PRO  11  -2.627 -10.213   0.256
   84    HG3  PRO  11          1HG       PRO  11  -0.950  -9.833   0.694
   85    HD2  PRO  11          2HD       PRO  11  -2.964  -8.992   2.190
   86    HD3  PRO  11          1HD       PRO  11  -1.572  -7.931   1.886
   87    H    ASP  12           H        ASP  12  -5.060  -8.815  -0.307
   88    HA   ASP  12           HA       ASP  12  -5.837  -9.058  -3.119
   89    HB2  ASP  12          2HB       ASP  12  -6.135 -11.032  -1.717
   90    HB3  ASP  12          1HB       ASP  12  -7.139 -10.110  -0.604
   91    H    ASN  13           H        ASN  13  -6.367  -6.866  -0.610
   92    HA   ASN  13           HA       ASN  13  -8.283  -5.456  -2.150
   93    HB2  ASN  13          2HB       ASN  13  -9.844  -6.992  -1.018
   94    HB3  ASN  13          1HB       ASN  13  -9.194  -6.501   0.543
   95   HD21  ASN  13          1HD2      ASN  13 -11.221  -5.820   1.209
   96   HD22  ASN  13          2HD2      ASN  13 -11.962  -4.368   0.661
   97    H    ASP  14           H        ASP  14  -6.374  -4.271  -2.036
   98    HA   ASP  14           HA       ASP  14  -5.927  -2.796   0.418
   99    HB2  ASP  14          2HB       ASP  14  -4.026  -1.769  -0.741
  100    HB3  ASP  14          1HB       ASP  14  -3.942  -3.523  -0.832
  101    H    LYS  15           H        LYS  15  -6.316  -0.655   0.645
  102    HA   LYS  15           HA       LYS  15  -7.695   0.673  -1.567
  103    HB2  LYS  15          2HB       LYS  15  -8.147   1.058   1.402
  104    HB3  LYS  15          1HB       LYS  15  -8.947   1.968   0.134
  105    HG2  LYS  15          2HG       LYS  15 -10.160   0.016  -0.565
  106    HG3  LYS  15          1HG       LYS  15  -9.223  -1.007   0.530
  107    HD2  LYS  15          2HD       LYS  15 -10.105   0.289   2.442
  108    HD3  LYS  15          1HD       LYS  15 -11.089   1.228   1.323
  109    HE2  LYS  15          2HE       LYS  15 -11.261  -1.760   1.614
  110    HE3  LYS  15          1HE       LYS  15 -12.277  -0.634   2.508
  111    HZ1  LYS  15          1HZ       LYS  15 -12.186  -0.891  -0.462
  112    HZ2  LYS  15          2HZ       LYS  15 -13.160   0.164   0.413
  113    HZ3  LYS  15          3HZ       LYS  15 -13.378  -1.501   0.567
  114    H    CYS  16           H        CYS  16  -5.681   1.555  -2.319
  115    HA   CYS  16           HA       CYS  16  -4.645   3.771  -0.842
  116    HB2  CYS  16          2HB       CYS  16  -2.876   1.449  -1.801
  117    HB3  CYS  16          1HB       CYS  16  -2.324   2.927  -1.038
  118    H    CYS  17           H        CYS  17  -3.560   5.211  -2.505
  119    HA   CYS  17           HA       CYS  17  -4.849   4.685  -5.009
  120    HB2  CYS  17          2HB       CYS  17  -4.091   6.911  -5.752
  121    HB3  CYS  17          1HB       CYS  17  -4.889   6.991  -4.193
  122    H    ARG  18           H        ARG  18  -3.884   2.892  -5.790
  123    HA   ARG  18           HA       ARG  18  -1.080   2.883  -6.344
  124    HB2  ARG  18          2HB       ARG  18  -1.354   0.737  -7.432
  125    HB3  ARG  18          1HB       ARG  18  -2.404   0.736  -6.035
  126    HG2  ARG  18          2HG       ARG  18  -3.316   1.209  -8.875
  127    HG3  ARG  18          1HG       ARG  18  -3.352  -0.347  -8.056
  128    HD2  ARG  18          2HD       ARG  18  -4.835   2.136  -7.214
  129    HD3  ARG  18          1HD       ARG  18  -5.542   0.765  -8.062
  130    HE   ARG  18           HE       ARG  18  -4.305  -0.116  -5.698
  131   HH11  ARG  18          1HH1      ARG  18  -7.200   1.627  -6.785
  132   HH12  ARG  18          2HH1      ARG  18  -8.084   1.266  -5.377
  133   HH21  ARG  18          1HH2      ARG  18  -5.511  -0.573  -3.801
  134   HH22  ARG  18          2HH2      ARG  18  -7.127  -0.021  -3.660
  135    HA   PRO  19           HA       PRO  19   0.256   2.028  -7.805
  136    HB2  PRO  19          2HB       PRO  19   2.153   2.551  -9.566
  137    HB3  PRO  19          1HB       PRO  19   0.733   1.598 -10.018
  138    HG2  PRO  19          2HG       PRO  19   1.409   4.411 -10.692
  139    HG3  PRO  19          1HG       PRO  19   0.492   3.218 -11.629
  140    HD2  PRO  19          2HD       PRO  19  -0.540   5.289  -9.959
  141    HD3  PRO  19          1HD       PRO  19  -1.454   4.015 -10.789
  142    H    ASN  20           H        ASN  20  -0.254   5.045  -7.112
  143    HA   ASN  20           HA       ASN  20   2.393   6.100  -6.722
  144    HB2  ASN  20          2HB       ASN  20  -0.264   6.934  -5.505
  145    HB3  ASN  20          1HB       ASN  20   1.234   7.820  -5.316
  146   HD21  ASN  20          1HD2      ASN  20   0.357   9.648  -6.228
  147   HD22  ASN  20          2HD2      ASN  20   0.023   9.795  -7.915
  148    H    LEU  21           H        LEU  21  -0.132   4.745  -4.695
  149    HA   LEU  21           HA       LEU  21   1.922   3.870  -2.808
  150    HB2  LEU  21          2HB       LEU  21  -0.970   4.593  -2.195
  151    HB3  LEU  21          1HB       LEU  21   0.084   3.730  -1.129
  152    HG   LEU  21           HG       LEU  21   1.647   5.659  -1.062
  153   HD11  LEU  21          1HD1      LEU  21  -0.555   7.149  -2.454
  154   HD12  LEU  21          2HD1      LEU  21   1.045   6.782  -3.095
  155   HD13  LEU  21          3HD1      LEU  21   0.878   7.863  -1.709
  156   HD21  LEU  21          1HD2      LEU  21   0.268   6.981   0.457
  157   HD22  LEU  21          2HD2      LEU  21   0.138   5.241   0.708
  158   HD23  LEU  21          3HD2      LEU  21  -1.162   6.115  -0.123
  159    H    VAL  22           H        VAL  22   2.154   1.845  -2.807
  160    HA   VAL  22           HA       VAL  22  -0.084   0.198  -3.715
  161    HB   VAL  22           HB       VAL  22   1.603  -1.383  -4.753
  162   HG11  VAL  22          1HG1      VAL  22   1.919  -0.053  -6.789
  163   HG12  VAL  22          2HG1      VAL  22   1.481   1.404  -5.895
  164   HG13  VAL  22          3HG1      VAL  22   0.290   0.124  -6.136
  165   HG21  VAL  22          1HG2      VAL  22   3.592  -0.591  -3.564
  166   HG22  VAL  22          2HG2      VAL  22   3.471   0.964  -4.386
  167   HG23  VAL  22          3HG2      VAL  22   3.821  -0.498  -5.310
  168    H    CYS  23           H        CYS  23  -0.270  -1.851  -2.855
  169    HA   CYS  23           HA       CYS  23   0.547  -2.057  -0.132
  170    HB2  CYS  23          2HB       CYS  23  -1.683  -2.788  -0.959
  171    HB3  CYS  23          1HB       CYS  23  -0.899  -4.018  -1.938
  172    H    SER  24           H        SER  24   2.812  -2.288  -0.049
  173    HA   SER  24           HA       SER  24   4.182  -4.011  -1.785
  174    HB2  SER  24          2HB       SER  24   4.895  -2.628   0.763
  175    HB3  SER  24          1HB       SER  24   6.059  -3.313  -0.371
  176    HG   SER  24           HG       SER  24   4.289  -1.818  -1.665
  177    H    ARG  25           H        ARG  25   4.620  -6.110  -1.563
  178    HA   ARG  25           HA       ARG  25   3.307  -7.744   0.248
  179    HB2  ARG  25          2HB       ARG  25   3.824  -8.347  -2.009
  180    HB3  ARG  25          1HB       ARG  25   5.542  -8.164  -1.710
  181    HG2  ARG  25          2HG       ARG  25   5.046 -10.443  -1.779
  182    HG3  ARG  25          1HG       ARG  25   5.397  -9.985  -0.102
  183    HD2  ARG  25          2HD       ARG  25   3.494 -11.508  -0.151
  184    HD3  ARG  25          1HD       ARG  25   2.971  -9.899   0.346
  185    HE   ARG  25           HE       ARG  25   2.677 -10.087  -2.414
  186   HH11  ARG  25          1HH1      ARG  25   1.229 -11.441   0.519
  187   HH12  ARG  25          2HH1      ARG  25  -0.263 -11.813  -0.201
  188   HH21  ARG  25          1HH2      ARG  25   0.615 -10.582  -3.434
  189   HH22  ARG  25          2HH2      ARG  25  -0.621 -11.293  -2.527
  190    H    LEU  26           H        LEU  26   6.707  -6.773  -0.056
  191    HA   LEU  26           HA       LEU  26   7.670  -8.445   2.043
  192    HB2  LEU  26          2HB       LEU  26   9.105  -7.712   0.254
  193    HB3  LEU  26          1HB       LEU  26   8.878  -6.037   0.701
  194    HG   LEU  26           HG       LEU  26  10.053  -6.502   2.845
  195   HD11  LEU  26          1HD1      LEU  26   9.648  -8.879   3.033
  196   HD12  LEU  26          2HD1      LEU  26  11.381  -8.553   3.041
  197   HD13  LEU  26          3HD1      LEU  26  10.606  -9.180   1.585
  198   HD21  LEU  26          1HD2      LEU  26  12.279  -6.582   1.866
  199   HD22  LEU  26          2HD2      LEU  26  11.215  -5.543   0.919
  200   HD23  LEU  26          3HD2      LEU  26  11.598  -7.171   0.355
  201    H    HIS  27           H        HIS  27   6.408  -5.267   1.917
  202    HA   HIS  27           HA       HIS  27   7.390  -4.618   4.590
  203    HB2  HIS  27          2HB       HIS  27   5.796  -2.936   2.643
  204    HB3  HIS  27          1HB       HIS  27   6.469  -2.373   4.161
  205    HD1  HIS  27          1HD       HIS  27   8.926  -1.628   4.124
  206    HD2  HIS  27          2HD       HIS  27   7.750  -3.526   0.624
  207    HE1  HIS  27          1HE       HIS  27  10.756  -1.205   2.425
  208    H    ARG  28           H        ARG  28   4.567  -5.580   2.888
  209    HA   ARG  28           HA       ARG  28   2.546  -6.208   3.393
  210    HB2  ARG  28          2HB       ARG  28   3.477  -6.078   6.260
  211    HB3  ARG  28          1HB       ARG  28   1.893  -6.666   5.775
  212    HG2  ARG  28          2HG       ARG  28   2.966  -8.431   4.448
  213    HG3  ARG  28          1HG       ARG  28   4.545  -7.847   4.976
  214    HD2  ARG  28          2HD       ARG  28   3.826  -9.749   6.316
  215    HD3  ARG  28          1HD       ARG  28   3.938  -8.279   7.285
  216    HE   ARG  28           HE       ARG  28   1.341  -8.930   6.200
  217   HH11  ARG  28          1HH1      ARG  28   3.506  -9.012   8.992
  218   HH12  ARG  28          2HH1      ARG  28   2.290  -9.334  10.136
  219   HH21  ARG  28          1HH2      ARG  28  -0.379  -9.343   7.796
  220   HH22  ARG  28          2HH2      ARG  28   0.019  -9.526   9.434
  221    H    TRP  29           H        TRP  29   3.449  -3.370   3.313
  222    HA   TRP  29           HA       TRP  29   0.903  -2.304   4.137
  223    HB2  TRP  29          2HB       TRP  29   1.852  -0.293   5.147
  224    HB3  TRP  29          1HB       TRP  29   2.331  -1.729   6.019
  225    HD1  TRP  29           HD       TRP  29   4.105   0.128   3.046
  226    HE1  TRP  29          1HE       TRP  29   6.525   0.678   3.813
  227    HE3  TRP  29          3HE       TRP  29   3.915  -1.728   7.805
  228    HZ2  TRP  29          2HZ       TRP  29   8.097   0.384   6.103
  229    HZ3  TRP  29          3HZ       TRP  29   5.918  -1.548   9.222
  230    HH2  TRP  29           HH       TRP  29   7.966  -0.515   8.383
  231    H    CYS  30           H        CYS  30   0.361  -0.318   3.211
  232    HA   CYS  30           HA       CYS  30   1.116  -0.107   0.464
  233    HB2  CYS  30          2HB       CYS  30  -0.634   1.473   2.277
  234    HB3  CYS  30          1HB       CYS  30  -0.322   2.043   0.656
  235    H    LYS  31           H        LYS  31   3.039   0.625  -0.018
  236    HA   LYS  31           HA       LYS  31   4.057   2.791   1.640
  237    HB2  LYS  31          2HB       LYS  31   6.220   1.990   1.379
  238    HB3  LYS  31          1HB       LYS  31   5.292   0.536   1.384
  239    HG2  LYS  31          2HG       LYS  31   5.479   0.281  -0.983
  240    HG3  LYS  31          1HG       LYS  31   6.265   1.859  -1.129
  241    HD2  LYS  31          2HD       LYS  31   8.120   1.045   0.295
  242    HD3  LYS  31          1HD       LYS  31   7.305  -0.519   0.384
  243    HE2  LYS  31          2HE       LYS  31   8.153   0.711  -2.228
  244    HE3  LYS  31          1HE       LYS  31   9.221  -0.312  -1.275
  245    HZ1  LYS  31          1HZ       LYS  31   7.773  -2.135  -1.540
  246    HZ2  LYS  31          2HZ       LYS  31   7.923  -1.487  -3.073
  247    HZ3  LYS  31          3HZ       LYS  31   6.532  -1.217  -2.178
  248    H    TYR  32           H        TYR  32   5.206   4.463   0.617
  249    HA   TYR  32           HA       TYR  32   3.943   5.364  -1.807
  250    HB2  TYR  32          2HB       TYR  32   6.098   6.589  -0.061
  251    HB3  TYR  32          1HB       TYR  32   5.352   7.392  -1.430
  252    HD1  TYR  32          1HD       TYR  32   3.292   8.511  -1.199
  253    HD2  TYR  32          2HD       TYR  32   4.706   6.056   1.963
  254    HE1  TYR  32          1HE       TYR  32   1.561   9.419   0.282
  255    HE2  TYR  32          2HE       TYR  32   2.998   6.945   3.443
  256    HH   TYR  32           HH       TYR  32   1.637   9.010   3.615
  257    H    VAL  33           H        VAL  33   4.781   5.007  -3.767
  258    HA   VAL  33           HA       VAL  33   7.619   4.391  -3.831
  259    HB   VAL  33           HB       VAL  33   7.202   3.101  -5.985
  260   HG11  VAL  33          1HG1      VAL  33   5.924   2.088  -3.447
  261   HG12  VAL  33          2HG1      VAL  33   7.634   1.977  -3.877
  262   HG13  VAL  33          3HG1      VAL  33   6.430   1.084  -4.805
  263   HG21  VAL  33          1HG2      VAL  33   4.345   3.237  -5.029
  264   HG22  VAL  33          2HG2      VAL  33   4.941   2.233  -6.355
  265   HG23  VAL  33          3HG2      VAL  33   4.985   3.995  -6.484
  266    H    PHE  34           H        PHE  34   8.135   6.457  -3.934
  267    HA   PHE  34           HA       PHE  34   7.918   7.657  -6.597
  268    HB2  PHE  34          2HB       PHE  34   7.930   9.093  -3.920
  269    HB3  PHE  34          1HB       PHE  34   8.072   9.891  -5.475
  270    HD1  PHE  34          1HD       PHE  34   5.818   7.950  -3.309
  271    HD2  PHE  34          2HD       PHE  34   6.154  10.438  -6.727
  272    HE1  PHE  34          1HE       PHE  34   3.361   8.193  -3.367
  273    HE2  PHE  34          2HE       PHE  34   3.714  10.686  -6.797
  274    HZ   PHE  34           HZ       PHE  34   2.317   9.568  -5.117
  Start of MODEL    8
    1    H1   ASP   1          1HT       ASP   1  -9.883  10.157   1.805
    2    H2   ASP   1          2HT       ASP   1 -10.027  10.514   3.460
    3    H3   ASP   1          3HT       ASP   1  -9.571   8.958   2.937
    4    HA   ASP   1           HA       ASP   1  -7.985  11.369   2.446
    5    HB2  ASP   1          2HB       ASP   1  -7.631   9.136   4.468
    6    HB3  ASP   1          1HB       ASP   1  -6.396  10.321   4.073
    7    H    CYS   2           H        CYS   2  -5.809  10.709   1.711
    8    HA   CYS   2           HA       CYS   2  -6.040   8.711  -0.324
    9    HB2  CYS   2          2HB       CYS   2  -4.754  10.817  -0.683
   10    HB3  CYS   2          1HB       CYS   2  -3.648  10.322   0.602
   11    H    LEU   3           H        LEU   3  -5.999   6.677   0.298
   12    HA   LEU   3           HA       LEU   3  -4.870   5.729   2.677
   13    HB2  LEU   3          2HB       LEU   3  -5.510   4.274   0.170
   14    HB3  LEU   3          1HB       LEU   3  -5.168   3.487   1.693
   15    HG   LEU   3           HG       LEU   3  -7.559   5.277   1.163
   16   HD11  LEU   3          1HD1      LEU   3  -7.719   3.132   0.004
   17   HD12  LEU   3          2HD1      LEU   3  -8.873   3.233   1.334
   18   HD13  LEU   3          3HD1      LEU   3  -7.396   2.288   1.516
   19   HD21  LEU   3          1HD2      LEU   3  -6.800   3.643   3.583
   20   HD22  LEU   3          2HD2      LEU   3  -8.327   4.488   3.359
   21   HD23  LEU   3          3HD2      LEU   3  -6.824   5.404   3.476
   22    H    GLY   4           H        GLY   4  -2.969   5.408   3.160
   23    HA2  GLY   4          2HA       GLY   4  -0.894   4.257   1.732
   24    HA3  GLY   4          1HA       GLY   4  -0.792   5.989   1.444
   25    H    ALA   5           H        ALA   5   0.885   6.658   2.602
   26    HA   ALA   5           HA       ALA   5   2.225   7.180   4.327
   27    HB1  ALA   5          1HB       ALA   5   0.192   8.379   4.997
   28    HB2  ALA   5          2HB       ALA   5   1.168   7.852   6.371
   29    HB3  ALA   5          3HB       ALA   5  -0.303   6.970   5.950
   30    H    PHE   6           H        PHE   6   2.004   4.341   3.750
   31    HA   PHE   6           HA       PHE   6   2.781   2.390   4.483
   32    HB2  PHE   6          2HB       PHE   6   3.929   4.047   6.754
   33    HB3  PHE   6          1HB       PHE   6   4.384   2.383   6.388
   34    HD1  PHE   6          1HD       PHE   6   4.700   5.882   5.402
   35    HD2  PHE   6          2HD       PHE   6   5.671   1.861   4.396
   36    HE1  PHE   6          1HE       PHE   6   6.386   6.689   3.800
   37    HE2  PHE   6          2HE       PHE   6   7.350   2.664   2.797
   38    HZ   PHE   6           HZ       PHE   6   7.709   5.075   2.495
   39    H    ARG   7           H        ARG   7   0.127   3.130   5.156
   40    HA   ARG   7           HA       ARG   7  -0.256   1.988   7.787
   41    HB2  ARG   7          2HB       ARG   7  -2.312   2.838   5.731
   42    HB3  ARG   7          1HB       ARG   7  -2.676   2.281   7.350
   43    HG2  ARG   7          2HG       ARG   7  -1.163   4.799   6.655
   44    HG3  ARG   7          1HG       ARG   7  -2.852   4.723   7.128
   45    HD2  ARG   7          2HD       ARG   7  -1.657   5.396   9.052
   46    HD3  ARG   7          1HD       ARG   7  -2.051   3.702   9.307
   47    HE   ARG   7           HE       ARG   7   0.453   3.762   8.159
   48   HH11  ARG   7          1HH1      ARG   7  -1.035   4.925  11.144
   49   HH12  ARG   7          2HH1      ARG   7   0.387   4.867  12.062
   50   HH21  ARG   7          1HH2      ARG   7   2.451   3.669   9.420
   51   HH22  ARG   7          2HH2      ARG   7   2.426   4.152  11.039
   52    H    LYS   8           H        LYS   8  -1.148  -0.006   8.155
   53    HA   LYS   8           HA       LYS   8  -0.331  -2.052   6.454
   54    HB2  LYS   8          2HB       LYS   8  -2.275  -2.141   8.758
   55    HB3  LYS   8          1HB       LYS   8  -1.602  -3.560   7.971
   56    HG2  LYS   8          2HG       LYS   8   0.650  -2.858   8.637
   57    HG3  LYS   8          1HG       LYS   8  -0.029  -1.444   9.438
   58    HD2  LYS   8          2HD       LYS   8  -1.292  -2.895  10.946
   59    HD3  LYS   8          1HD       LYS   8  -0.649  -4.319  10.126
   60    HE2  LYS   8          2HE       LYS   8   0.578  -3.936  12.169
   61    HE3  LYS   8          1HE       LYS   8   1.630  -3.630  10.789
   62    HZ1  LYS   8          1HZ       LYS   8   1.912  -1.933  12.463
   63    HZ2  LYS   8          2HZ       LYS   8   0.282  -1.616  12.486
   64    HZ3  LYS   8          3HZ       LYS   8   1.178  -1.220  11.126
   65    H    CYS   9           H        CYS   9  -1.202  -3.082   4.853
   66    HA   CYS   9           HA       CYS   9  -3.993  -2.518   4.163
   67    HB2  CYS   9          2HB       CYS   9  -3.234  -2.606   1.785
   68    HB3  CYS   9          1HB       CYS   9  -2.585  -1.242   2.689
   69    H    ILE  10           H        ILE  10  -4.636  -4.185   2.346
   70    HA   ILE  10           HA       ILE  10  -3.892  -6.822   3.351
   71    HB   ILE  10           HB       ILE  10  -6.271  -6.037   1.634
   72   HG12  ILE  10          2HG1      ILE  10  -6.491  -4.907   3.791
   73   HG13  ILE  10          1HG1      ILE  10  -7.661  -6.212   3.672
   74   HG21  ILE  10          1HG2      ILE  10  -5.653  -8.373   1.451
   75   HG22  ILE  10          2HG2      ILE  10  -7.184  -8.211   2.315
   76   HG23  ILE  10          3HG2      ILE  10  -5.699  -8.544   3.206
   77   HD11  ILE  10          1HD1      ILE  10  -5.070  -6.290   5.211
   78   HD12  ILE  10          2HD1      ILE  10  -6.247  -7.600   5.102
   79   HD13  ILE  10          3HD1      ILE  10  -6.682  -6.086   5.894
   80    HA   PRO  11           HA       PRO  11  -1.594  -6.782  -0.581
   81    HB2  PRO  11          2HB       PRO  11  -1.158  -9.631   0.080
   82    HB3  PRO  11          1HB       PRO  11   0.028  -8.367  -0.245
   83    HG2  PRO  11          2HG       PRO  11  -0.328  -9.287   2.231
   84    HG3  PRO  11          1HG       PRO  11  -0.035  -7.563   1.935
   85    HD2  PRO  11          2HD       PRO  11  -2.612  -8.971   2.530
   86    HD3  PRO  11          1HD       PRO  11  -1.992  -7.419   3.145
   87    H    ASP  12           H        ASP  12  -4.093  -8.909   0.344
   88    HA   ASP  12           HA       ASP  12  -4.403 -10.203  -2.229
   89    HB2  ASP  12          2HB       ASP  12  -4.928 -11.503  -0.274
   90    HB3  ASP  12          1HB       ASP  12  -6.048 -10.279   0.300
   91    H    ASN  13           H        ASN  13  -5.327  -7.289  -0.912
   92    HA   ASN  13           HA       ASN  13  -6.732  -6.545  -3.193
   93    HB2  ASN  13          2HB       ASN  13  -8.895  -5.827  -2.098
   94    HB3  ASN  13          1HB       ASN  13  -8.713  -7.560  -2.270
   95   HD21  ASN  13          1HD2      ASN  13  -8.539  -8.828  -0.407
   96   HD22  ASN  13          2HD2      ASN  13  -8.897  -8.207   1.158
   97    H    ASP  14           H        ASP  14  -5.151  -5.227  -3.334
   98    HA   ASP  14           HA       ASP  14  -4.314  -3.499  -1.288
   99    HB2  ASP  14          2HB       ASP  14  -2.910  -2.376  -2.903
  100    HB3  ASP  14          1HB       ASP  14  -2.841  -4.107  -3.181
  101    H    LYS  15           H        LYS  15  -5.291  -1.948  -0.463
  102    HA   LYS  15           HA       LYS  15  -6.767  -0.161  -2.172
  103    HB2  LYS  15          2HB       LYS  15  -8.200   0.352  -0.103
  104    HB3  LYS  15          1HB       LYS  15  -8.489  -1.167  -0.927
  105    HG2  LYS  15          2HG       LYS  15  -7.058  -2.282   0.807
  106    HG3  LYS  15          1HG       LYS  15  -7.022  -0.744   1.671
  107    HD2  LYS  15          2HD       LYS  15  -9.448  -0.767   1.869
  108    HD3  LYS  15          1HD       LYS  15  -9.530  -2.253   0.924
  109    HE2  LYS  15          2HE       LYS  15  -8.220  -3.405   2.671
  110    HE3  LYS  15          1HE       LYS  15  -8.225  -1.924   3.625
  111    HZ1  LYS  15          1HZ       LYS  15 -10.635  -2.053   3.754
  112    HZ2  LYS  15          2HZ       LYS  15  -9.954  -3.499   4.318
  113    HZ3  LYS  15          3HZ       LYS  15 -10.635  -3.432   2.791
  114    H    CYS  16           H        CYS  16  -5.113   1.114  -2.559
  115    HA   CYS  16           HA       CYS  16  -4.261   2.902  -0.435
  116    HB2  CYS  16          2HB       CYS  16  -2.306   1.690  -2.435
  117    HB3  CYS  16          1HB       CYS  16  -1.923   2.693  -1.048
  118    H    CYS  17           H        CYS  17  -3.184   4.888  -1.754
  119    HA   CYS  17           HA       CYS  17  -4.821   5.428  -3.994
  120    HB2  CYS  17          2HB       CYS  17  -2.383   6.833  -2.949
  121    HB3  CYS  17          1HB       CYS  17  -3.342   7.446  -4.296
  122    H    ARG  18           H        ARG  18  -4.477   3.676  -5.364
  123    HA   ARG  18           HA       ARG  18  -1.924   3.223  -6.565
  124    HB2  ARG  18          2HB       ARG  18  -3.149   1.692  -8.122
  125    HB3  ARG  18          1HB       ARG  18  -3.461   1.348  -6.430
  126    HG2  ARG  18          2HG       ARG  18  -5.632   2.246  -6.547
  127    HG3  ARG  18          1HG       ARG  18  -5.304   3.024  -8.094
  128    HD2  ARG  18          2HD       ARG  18  -6.702   1.031  -8.384
  129    HD3  ARG  18          1HD       ARG  18  -5.149   0.854  -9.179
  130    HE   ARG  18           HE       ARG  18  -4.806  -0.335  -6.740
  131   HH11  ARG  18          1HH1      ARG  18  -7.173  -0.754  -9.336
  132   HH12  ARG  18          2HH1      ARG  18  -7.349  -2.436  -9.103
  133   HH21  ARG  18          1HH2      ARG  18  -4.998  -2.656  -6.460
  134   HH22  ARG  18          2HH2      ARG  18  -6.040  -3.540  -7.464
  135    HA   PRO  19           HA       PRO  19  -1.202   2.438  -8.401
  136    HB2  PRO  19          2HB       PRO  19   0.324   2.822 -10.525
  137    HB3  PRO  19          1HB       PRO  19  -1.362   2.326 -10.721
  138    HG2  PRO  19          2HG       PRO  19  -0.116   5.004 -11.113
  139    HG3  PRO  19          1HG       PRO  19  -1.425   4.236 -12.019
  140    HD2  PRO  19          2HD       PRO  19  -1.710   6.133  -9.955
  141    HD3  PRO  19          1HD       PRO  19  -3.001   5.128 -10.640
  142    H    ASN  20           H        ASN  20  -0.733   5.572  -7.773
  143    HA   ASN  20           HA       ASN  20   2.084   5.915  -7.818
  144    HB2  ASN  20          2HB       ASN  20  -0.046   7.368  -6.224
  145    HB3  ASN  20          1HB       ASN  20   1.642   7.849  -6.271
  146   HD21  ASN  20          1HD2      ASN  20   1.090   9.857  -7.137
  147   HD22  ASN  20          2HD2      ASN  20   0.604  10.046  -8.777
  148    H    LEU  21           H        LEU  21  -0.138   4.609  -5.513
  149    HA   LEU  21           HA       LEU  21   2.118   3.819  -3.832
  150    HB2  LEU  21          2HB       LEU  21  -0.726   4.465  -2.997
  151    HB3  LEU  21          1HB       LEU  21   0.436   3.671  -1.982
  152    HG   LEU  21           HG       LEU  21   1.865   5.715  -2.057
  153   HD11  LEU  21          1HD1      LEU  21   0.838   7.849  -2.673
  154   HD12  LEU  21          2HD1      LEU  21  -0.514   6.977  -3.405
  155   HD13  LEU  21          3HD1      LEU  21   1.111   6.793  -4.053
  156   HD21  LEU  21          1HD2      LEU  21   0.474   5.220  -0.197
  157   HD22  LEU  21          2HD2      LEU  21  -0.911   5.993  -0.977
  158   HD23  LEU  21          3HD2      LEU  21   0.490   6.956  -0.492
  159    H    VAL  22           H        VAL  22   2.096   1.703  -3.190
  160    HA   VAL  22           HA       VAL  22  -0.109   0.051  -4.168
  161    HB   VAL  22           HB       VAL  22   1.385  -1.734  -4.888
  162   HG11  VAL  22          1HG1      VAL  22   2.386  -0.734  -6.892
  163   HG12  VAL  22          2HG1      VAL  22   2.086   0.868  -6.213
  164   HG13  VAL  22          3HG1      VAL  22   0.734  -0.191  -6.601
  165   HG21  VAL  22          1HG2      VAL  22   3.673   0.126  -4.236
  166   HG22  VAL  22          2HG2      VAL  22   3.825  -1.421  -5.067
  167   HG23  VAL  22          3HG2      VAL  22   3.267  -1.370  -3.394
  168    H    CYS  23           H        CYS  23  -0.209  -2.046  -3.072
  169    HA   CYS  23           HA       CYS  23   0.461  -1.696  -0.278
  170    HB2  CYS  23          2HB       CYS  23  -1.816  -2.425  -0.876
  171    HB3  CYS  23          1HB       CYS  23  -1.154  -3.799  -1.748
  172    H    SER  24           H        SER  24   2.483  -2.329   0.217
  173    HA   SER  24           HA       SER  24   3.921  -4.155  -1.383
  174    HB2  SER  24          2HB       SER  24   5.054  -2.472  -0.005
  175    HB3  SER  24          1HB       SER  24   4.394  -3.209   1.453
  176    HG   SER  24           HG       SER  24   6.150  -4.476  -0.398
  177    H    ARG  25           H        ARG  25   3.583  -6.259  -1.444
  178    HA   ARG  25           HA       ARG  25   1.886  -7.478   0.503
  179    HB2  ARG  25          2HB       ARG  25   2.062  -9.509  -0.863
  180    HB3  ARG  25          1HB       ARG  25   1.662  -8.106  -1.824
  181    HG2  ARG  25          2HG       ARG  25   3.921  -7.976  -2.662
  182    HG3  ARG  25          1HG       ARG  25   4.407  -9.323  -1.624
  183    HD2  ARG  25          2HD       ARG  25   2.352  -9.433  -3.834
  184    HD3  ARG  25          1HD       ARG  25   3.992 -10.082  -3.910
  185    HE   ARG  25           HE       ARG  25   3.089 -11.357  -1.793
  186   HH11  ARG  25          1HH1      ARG  25   1.459 -10.920  -4.934
  187   HH12  ARG  25          2HH1      ARG  25   0.539 -12.347  -4.758
  188   HH21  ARG  25          1HH2      ARG  25   1.855 -13.246  -1.613
  189   HH22  ARG  25          2HH2      ARG  25   0.773 -13.712  -2.845
  190    H    LEU  26           H        LEU  26   5.162  -7.015   0.168
  191    HA   LEU  26           HA       LEU  26   6.017  -9.191   1.863
  192    HB2  LEU  26          2HB       LEU  26   7.497  -8.376   0.125
  193    HB3  LEU  26          1HB       LEU  26   7.439  -6.756   0.783
  194    HG   LEU  26           HG       LEU  26   8.630  -7.578   2.806
  195   HD11  LEU  26          1HD1      LEU  26   8.890 -10.135   1.243
  196   HD12  LEU  26          2HD1      LEU  26   7.978  -9.906   2.737
  197   HD13  LEU  26          3HD1      LEU  26   9.733  -9.748   2.742
  198   HD21  LEU  26          1HD2      LEU  26  10.019  -8.075   0.179
  199   HD22  LEU  26          2HD2      LEU  26  10.815  -7.808   1.727
  200   HD23  LEU  26          3HD2      LEU  26   9.857  -6.520   0.995
  201    H    HIS  27           H        HIS  27   5.721  -5.650   2.114
  202    HA   HIS  27           HA       HIS  27   6.435  -5.757   4.921
  203    HB2  HIS  27          2HB       HIS  27   5.739  -3.387   3.180
  204    HB3  HIS  27          1HB       HIS  27   6.269  -3.285   4.848
  205    HD1  HIS  27          1HD       HIS  27   8.837  -3.484   5.269
  206    HD2  HIS  27          2HD       HIS  27   7.691  -4.088   1.333
  207    HE1  HIS  27          1HE       HIS  27  10.955  -3.397   3.923
  208    H    ARG  28           H        ARG  28   3.562  -5.579   3.016
  209    HA   ARG  28           HA       ARG  28   1.412  -5.796   3.503
  210    HB2  ARG  28          2HB       ARG  28   2.355  -6.074   6.355
  211    HB3  ARG  28          1HB       ARG  28   0.683  -6.291   5.850
  212    HG2  ARG  28          2HG       ARG  28   1.186  -8.208   4.604
  213    HG3  ARG  28          1HG       ARG  28   2.916  -7.861   4.620
  214    HD2  ARG  28          2HD       ARG  28   1.256  -8.583   7.023
  215    HD3  ARG  28          1HD       ARG  28   2.310  -9.690   6.142
  216    HE   ARG  28           HE       ARG  28   3.353  -7.244   7.387
  217   HH11  ARG  28          1HH1      ARG  28   3.437 -10.768   7.067
  218   HH12  ARG  28          2HH1      ARG  28   4.875 -10.958   7.950
  219   HH21  ARG  28          1HH2      ARG  28   5.340  -7.505   8.607
  220   HH22  ARG  28          2HH2      ARG  28   5.977  -9.059   8.846
  221    H    TRP  29           H        TRP  29   2.841  -3.219   3.507
  222    HA   TRP  29           HA       TRP  29   0.542  -1.748   4.406
  223    HB2  TRP  29          2HB       TRP  29   1.971   0.141   5.286
  224    HB3  TRP  29          1HB       TRP  29   1.913  -1.301   6.274
  225    HD1  TRP  29           HD       TRP  29   4.338   0.026   3.505
  226    HE1  TRP  29          1HE       TRP  29   6.750  -0.349   4.366
  227    HE3  TRP  29          3HE       TRP  29   3.266  -2.155   7.993
  228    HZ2  TRP  29          2HZ       TRP  29   8.010  -1.422   6.663
  229    HZ3  TRP  29          3HZ       TRP  29   5.125  -2.818   9.468
  230    HH2  TRP  29           HH       TRP  29   7.441  -2.455   8.809
  231    H    CYS  30           H        CYS  30   0.263   0.328   3.508
  232    HA   CYS  30           HA       CYS  30   0.732   0.308   0.692
  233    HB2  CYS  30          2HB       CYS  30  -0.428   2.386   2.526
  234    HB3  CYS  30          1HB       CYS  30  -0.396   2.564   0.782
  235    H    LYS  31           H        LYS  31   2.622   0.811  -0.141
  236    HA   LYS  31           HA       LYS  31   4.260   2.842   1.195
  237    HB2  LYS  31          2HB       LYS  31   6.199   1.814   0.122
  238    HB3  LYS  31          1HB       LYS  31   5.301   0.622   1.033
  239    HG2  LYS  31          2HG       LYS  31   4.428  -0.362  -0.936
  240    HG3  LYS  31          1HG       LYS  31   5.005   0.977  -1.933
  241    HD2  LYS  31          2HD       LYS  31   7.320   0.384  -1.344
  242    HD3  LYS  31          1HD       LYS  31   6.720  -0.990  -0.420
  243    HE2  LYS  31          2HE       LYS  31   5.846  -2.018  -2.393
  244    HE3  LYS  31          1HE       LYS  31   6.186  -0.583  -3.355
  245    HZ1  LYS  31          1HZ       LYS  31   7.830  -2.341  -3.670
  246    HZ2  LYS  31          2HZ       LYS  31   8.255  -2.273  -2.050
  247    HZ3  LYS  31          3HZ       LYS  31   8.528  -0.945  -3.053
  248    H    TYR  32           H        TYR  32   5.466   4.298  -0.194
  249    HA   TYR  32           HA       TYR  32   3.830   5.223  -2.400
  250    HB2  TYR  32          2HB       TYR  32   6.217   6.448  -0.997
  251    HB3  TYR  32          1HB       TYR  32   5.332   7.205  -2.314
  252    HD1  TYR  32          1HD       TYR  32   3.056   8.023  -1.946
  253    HD2  TYR  32          2HD       TYR  32   5.340   6.452   1.269
  254    HE1  TYR  32          1HE       TYR  32   1.543   9.096  -0.380
  255    HE2  TYR  32          2HE       TYR  32   3.820   7.515   2.869
  256    HH   TYR  32           HH       TYR  32   0.804   8.904   1.966
  257    H    VAL  33           H        VAL  33   4.338   4.864  -4.460
  258    HA   VAL  33           HA       VAL  33   6.974   3.743  -5.077
  259    HB   VAL  33           HB       VAL  33   4.459   3.772  -6.777
  260   HG11  VAL  33          1HG1      VAL  33   6.482   3.593  -8.120
  261   HG12  VAL  33          2HG1      VAL  33   5.582   2.076  -8.142
  262   HG13  VAL  33          3HG1      VAL  33   7.027   2.229  -7.144
  263   HG21  VAL  33          1HG2      VAL  33   4.114   2.432  -4.793
  264   HG22  VAL  33          2HG2      VAL  33   5.614   1.557  -5.098
  265   HG23  VAL  33          3HG2      VAL  33   4.258   1.393  -6.212
  266    H    PHE  34           H        PHE  34   4.727   6.283  -5.883
  267    HA   PHE  34           HA       PHE  34   6.487   7.364  -7.903
  268    HB2  PHE  34          2HB       PHE  34   4.011   7.349  -8.212
  269    HB3  PHE  34          1HB       PHE  34   3.862   8.438  -6.843
  270    HD1  PHE  34          1HD       PHE  34   5.726   8.226 -10.075
  271    HD2  PHE  34          2HD       PHE  34   3.579  10.660  -7.330
  272    HE1  PHE  34          1HE       PHE  34   5.923  10.126 -11.618
  273    HE2  PHE  34          2HE       PHE  34   3.769  12.568  -8.862
  274    HZ   PHE  34           HZ       PHE  34   4.943  12.307 -11.014
  Start of MODEL    9
    1    H1   ASP   1          1HT       ASP   1  -3.972  11.229   4.494
    2    H2   ASP   1          2HT       ASP   1  -3.015  12.620   4.622
    3    H3   ASP   1          3HT       ASP   1  -2.398  11.200   3.928
    4    HA   ASP   1           HA       ASP   1  -4.658  12.688   2.797
    5    HB2  ASP   1          2HB       ASP   1  -2.620  14.017   2.576
    6    HB3  ASP   1          1HB       ASP   1  -1.747  12.615   1.967
    7    H    CYS   2           H        CYS   2  -5.785  11.478   1.403
    8    HA   CYS   2           HA       CYS   2  -6.444   9.763   0.125
    9    HB2  CYS   2          2HB       CYS   2  -4.560  10.620  -1.252
   10    HB3  CYS   2          1HB       CYS   2  -3.464   9.537  -0.419
   11    H    LEU   3           H        LEU   3  -5.324   7.196  -0.303
   12    HA   LEU   3           HA       LEU   3  -5.134   6.192   2.443
   13    HB2  LEU   3          2HB       LEU   3  -6.177   4.860  -0.040
   14    HB3  LEU   3          1HB       LEU   3  -5.925   4.012   1.475
   15    HG   LEU   3           HG       LEU   3  -7.903   6.239   0.966
   16   HD11  LEU   3          1HD1      LEU   3  -8.284   3.288   1.431
   17   HD12  LEU   3          2HD1      LEU   3  -8.544   4.153  -0.085
   18   HD13  LEU   3          3HD1      LEU   3  -9.574   4.485   1.309
   19   HD21  LEU   3          1HD2      LEU   3  -8.738   5.736   3.222
   20   HD22  LEU   3          2HD2      LEU   3  -7.079   6.326   3.264
   21   HD23  LEU   3          3HD2      LEU   3  -7.407   4.602   3.458
   22    H    GLY   4           H        GLY   4  -3.522   4.841   2.955
   23    HA2  GLY   4          2HA       GLY   4  -1.783   3.327   1.863
   24    HA3  GLY   4          1HA       GLY   4  -1.295   4.816   1.056
   25    H    ALA   5           H        ALA   5   0.099   6.087   2.030
   26    HA   ALA   5           HA       ALA   5   1.596   6.899   3.523
   27    HB1  ALA   5          1HB       ALA   5  -0.818   6.860   5.323
   28    HB2  ALA   5          2HB       ALA   5  -0.467   8.084   4.099
   29    HB3  ALA   5          3HB       ALA   5   0.606   7.891   5.486
   30    H    PHE   6           H        PHE   6   1.985   4.161   3.430
   31    HA   PHE   6           HA       PHE   6   3.049   2.473   4.477
   32    HB2  PHE   6          2HB       PHE   6   3.543   4.526   6.653
   33    HB3  PHE   6          1HB       PHE   6   4.318   2.955   6.565
   34    HD1  PHE   6          1HD       PHE   6   4.356   6.365   5.475
   35    HD2  PHE   6          2HD       PHE   6   5.847   2.478   4.644
   36    HE1  PHE   6          1HE       PHE   6   6.157   7.358   4.124
   37    HE2  PHE   6          2HE       PHE   6   7.655   3.459   3.291
   38    HZ   PHE   6           HZ       PHE   6   7.805   5.907   3.034
   39    H    ARG   7           H        ARG   7   0.138   2.900   4.992
   40    HA   ARG   7           HA       ARG   7  -0.055   1.720   7.650
   41    HB2  ARG   7          2HB       ARG   7  -2.264   2.586   5.765
   42    HB3  ARG   7          1HB       ARG   7  -2.513   1.928   7.372
   43    HG2  ARG   7          2HG       ARG   7  -1.130   4.542   6.728
   44    HG3  ARG   7          1HG       ARG   7  -2.777   4.371   7.323
   45    HD2  ARG   7          2HD       ARG   7  -1.346   4.996   9.172
   46    HD3  ARG   7          1HD       ARG   7  -1.844   3.325   9.398
   47    HE   ARG   7           HE       ARG   7   0.590   3.442   8.007
   48   HH11  ARG   7          1HH1      ARG   7  -0.662   3.820  11.298
   49   HH12  ARG   7          2HH1      ARG   7   0.788   3.379  12.042
   50   HH21  ARG   7          1HH2      ARG   7   2.527   2.777   9.012
   51   HH22  ARG   7          2HH2      ARG   7   2.694   2.802  10.702
   52    H    LYS   8           H        LYS   8  -0.963  -0.257   8.032
   53    HA   LYS   8           HA       LYS   8  -0.114  -2.290   6.351
   54    HB2  LYS   8          2HB       LYS   8  -2.177  -2.390   8.561
   55    HB3  LYS   8          1HB       LYS   8  -1.446  -3.802   7.807
   56    HG2  LYS   8          2HG       LYS   8   0.739  -3.148   8.588
   57    HG3  LYS   8          1HG       LYS   8   0.081  -1.663   9.266
   58    HD2  LYS   8          2HD       LYS   8  -1.295  -2.992  10.809
   59    HD3  LYS   8          1HD       LYS   8  -0.618  -4.472  10.126
   60    HE2  LYS   8          2HE       LYS   8   1.598  -3.830  10.857
   61    HE3  LYS   8          1HE       LYS   8   0.987  -2.296  11.467
   62    HZ1  LYS   8          1HZ       LYS   8  -0.369  -3.536  13.051
   63    HZ2  LYS   8          2HZ       LYS   8   1.261  -3.851  13.256
   64    HZ3  LYS   8          3HZ       LYS   8   0.281  -4.993  12.508
   65    H    CYS   9           H        CYS   9  -0.990  -3.425   4.780
   66    HA   CYS   9           HA       CYS   9  -3.509  -2.362   3.702
   67    HB2  CYS   9          2HB       CYS   9  -2.473  -3.093   1.516
   68    HB3  CYS   9          1HB       CYS   9  -1.730  -1.709   2.325
   69    H    ILE  10           H        ILE  10  -4.479  -3.880   2.061
   70    HA   ILE  10           HA       ILE  10  -4.558  -6.622   3.075
   71    HB   ILE  10           HB       ILE  10  -6.439  -5.172   1.163
   72   HG12  ILE  10          2HG1      ILE  10  -6.873  -5.863   4.079
   73   HG13  ILE  10          1HG1      ILE  10  -6.529  -4.250   3.466
   74   HG21  ILE  10          1HG2      ILE  10  -6.737  -7.855   2.519
   75   HG22  ILE  10          2HG2      ILE  10  -6.412  -7.588   0.806
   76   HG23  ILE  10          3HG2      ILE  10  -7.951  -7.078   1.502
   77   HD11  ILE  10          1HD1      ILE  10  -8.893  -4.534   3.951
   78   HD12  ILE  10          2HD1      ILE  10  -8.970  -5.904   2.842
   79   HD13  ILE  10          3HD1      ILE  10  -8.638  -4.287   2.223
   80    HA   PRO  11           HA       PRO  11  -1.878  -7.024  -0.533
   81    HB2  PRO  11          2HB       PRO  11  -1.371  -9.708  -0.297
   82    HB3  PRO  11          1HB       PRO  11  -0.532  -8.461   0.627
   83    HG2  PRO  11          2HG       PRO  11  -2.816 -10.205   1.447
   84    HG3  PRO  11          1HG       PRO  11  -1.386  -9.725   2.378
   85    HD2  PRO  11          2HD       PRO  11  -3.800  -8.565   2.726
   86    HD3  PRO  11          1HD       PRO  11  -2.282  -7.667   2.926
   87    H    ASP  12           H        ASP  12  -4.830  -8.798  -0.016
   88    HA   ASP  12           HA       ASP  12  -4.795  -9.815  -2.750
   89    HB2  ASP  12          2HB       ASP  12  -5.745 -11.257  -1.014
   90    HB3  ASP  12          1HB       ASP  12  -6.926 -10.017  -0.610
   91    H    ASN  13           H        ASN  13  -5.713  -6.989  -1.206
   92    HA   ASN  13           HA       ASN  13  -6.771  -5.818  -3.546
   93    HB2  ASN  13          2HB       ASN  13  -8.839  -7.007  -2.911
   94    HB3  ASN  13          1HB       ASN  13  -8.746  -6.327  -1.294
   95   HD21  ASN  13          1HD2      ASN  13  -8.124  -4.529  -4.336
   96   HD22  ASN  13          2HD2      ASN  13  -9.478  -3.496  -4.135
   97    H    ASP  14           H        ASP  14  -5.094  -4.457  -3.025
   98    HA   ASP  14           HA       ASP  14  -5.217  -3.152  -0.498
   99    HB2  ASP  14          2HB       ASP  14  -3.145  -1.964  -1.176
  100    HB3  ASP  14          1HB       ASP  14  -3.071  -3.720  -1.152
  101    H    LYS  15           H        LYS  15  -6.193  -1.536   0.002
  102    HA   LYS  15           HA       LYS  15  -7.386   0.138  -2.070
  103    HB2  LYS  15          2HB       LYS  15  -8.005  -0.019   0.887
  104    HB3  LYS  15          1HB       LYS  15  -8.957   0.796  -0.343
  105    HG2  LYS  15          2HG       LYS  15  -9.607  -1.306  -1.320
  106    HG3  LYS  15          1HG       LYS  15  -8.499  -2.184  -0.265
  107    HD2  LYS  15          2HD       LYS  15  -9.785  -1.424   1.691
  108    HD3  LYS  15          1HD       LYS  15 -10.909  -0.591   0.621
  109    HE2  LYS  15          2HE       LYS  15 -10.378  -3.565   0.618
  110    HE3  LYS  15          1HE       LYS  15 -11.742  -2.783   1.409
  111    HZ1  LYS  15          1HZ       LYS  15 -11.186  -2.839  -1.516
  112    HZ2  LYS  15          2HZ       LYS  15 -12.452  -1.981  -0.806
  113    HZ3  LYS  15          3HZ       LYS  15 -12.405  -3.657  -0.711
  114    H    CYS  16           H        CYS  16  -5.472   1.353  -2.466
  115    HA   CYS  16           HA       CYS  16  -5.004   3.415  -0.571
  116    HB2  CYS  16          2HB       CYS  16  -2.862   1.619  -1.795
  117    HB3  CYS  16          1HB       CYS  16  -2.509   3.166  -1.021
  118    H    CYS  17           H        CYS  17  -3.492   5.074  -2.018
  119    HA   CYS  17           HA       CYS  17  -5.098   6.092  -3.954
  120    HB2  CYS  17          2HB       CYS  17  -2.088   6.218  -4.145
  121    HB3  CYS  17          1HB       CYS  17  -3.245   7.395  -4.755
  122    H    ARG  18           H        ARG  18  -2.237   4.117  -4.738
  123    HA   ARG  18           HA       ARG  18  -1.618   2.819  -6.443
  124    HB2  ARG  18          2HB       ARG  18  -3.426   1.504  -5.401
  125    HB3  ARG  18          1HB       ARG  18  -4.562   2.167  -6.560
  126    HG2  ARG  18          2HG       ARG  18  -3.417   1.073  -8.363
  127    HG3  ARG  18          1HG       ARG  18  -2.164   0.504  -7.261
  128    HD2  ARG  18          2HD       ARG  18  -3.858  -0.759  -6.009
  129    HD3  ARG  18          1HD       ARG  18  -5.077  -0.227  -7.166
  130    HE   ARG  18           HE       ARG  18  -4.000  -1.472  -8.843
  131   HH11  ARG  18          1HH1      ARG  18  -2.728  -2.174  -5.550
  132   HH12  ARG  18          2HH1      ARG  18  -2.134  -3.676  -6.014
  133   HH21  ARG  18          1HH2      ARG  18  -3.150  -3.546  -9.380
  134   HH22  ARG  18          2HH2      ARG  18  -2.364  -4.496  -8.198
  135    HA   PRO  19           HA       PRO  19  -0.811   1.871  -8.122
  136    HB2  PRO  19          2HB       PRO  19   0.873   2.217 -10.119
  137    HB3  PRO  19          1HB       PRO  19  -0.759   1.593 -10.417
  138    HG2  PRO  19          2HG       PRO  19   0.327   4.345 -10.825
  139    HG3  PRO  19          1HG       PRO  19  -0.734   3.397 -11.879
  140    HD2  PRO  19          2HD       PRO  19  -1.581   5.343 -10.087
  141    HD3  PRO  19          1HD       PRO  19  -2.610   4.061 -10.756
  142    H    ASN  20           H        ASN  20  -0.550   5.108  -7.558
  143    HA   ASN  20           HA       ASN  20   2.296   5.307  -7.378
  144    HB2  ASN  20          2HB       ASN  20   0.198   7.125  -6.162
  145    HB3  ASN  20          1HB       ASN  20   1.918   7.445  -6.202
  146   HD21  ASN  20          1HD2      ASN  20   1.755   9.266  -7.355
  147   HD22  ASN  20          2HD2      ASN  20   1.270   9.369  -9.012
  148    H    LEU  21           H        LEU  21  -0.247   4.401  -5.220
  149    HA   LEU  21           HA       LEU  21   1.831   3.573  -3.348
  150    HB2  LEU  21          2HB       LEU  21  -0.899   4.615  -2.491
  151    HB3  LEU  21          1HB       LEU  21   0.237   3.801  -1.473
  152    HG   LEU  21           HG       LEU  21   1.919   5.609  -1.946
  153   HD11  LEU  21          1HD1      LEU  21   0.918   6.656  -3.839
  154   HD12  LEU  21          2HD1      LEU  21   1.104   7.803  -2.512
  155   HD13  LEU  21          3HD1      LEU  21  -0.486   7.127  -2.879
  156   HD21  LEU  21          1HD2      LEU  21   0.857   5.338   0.160
  157   HD22  LEU  21          2HD2      LEU  21  -0.559   6.257  -0.380
  158   HD23  LEU  21          3HD2      LEU  21   1.013   7.051  -0.212
  159    H    VAL  22           H        VAL  22   1.863   1.550  -3.097
  160    HA   VAL  22           HA       VAL  22  -0.542  -0.049  -3.637
  161    HB   VAL  22           HB       VAL  22   2.256  -0.632  -4.719
  162   HG11  VAL  22          1HG1      VAL  22   1.253  -2.527  -5.896
  163   HG12  VAL  22          2HG1      VAL  22  -0.295  -2.187  -5.123
  164   HG13  VAL  22          3HG1      VAL  22   1.083  -2.692  -4.147
  165   HG21  VAL  22          1HG2      VAL  22  -0.255   0.125  -6.199
  166   HG22  VAL  22          2HG2      VAL  22   1.267  -0.359  -6.944
  167   HG23  VAL  22          3HG2      VAL  22   1.182   1.128  -5.997
  168    H    CYS  23           H        CYS  23  -0.604  -1.965  -2.444
  169    HA   CYS  23           HA       CYS  23   0.625  -2.008   0.073
  170    HB2  CYS  23          2HB       CYS  23  -1.450  -3.069  -0.362
  171    HB3  CYS  23          1HB       CYS  23  -0.720  -4.182  -1.518
  172    H    SER  24           H        SER  24   2.646  -2.543   0.585
  173    HA   SER  24           HA       SER  24   4.291  -4.016  -1.211
  174    HB2  SER  24          2HB       SER  24   5.244  -2.324   0.321
  175    HB3  SER  24          1HB       SER  24   4.646  -3.242   1.696
  176    HG   SER  24           HG       SER  24   6.690  -3.898  -0.121
  177    H    ARG  25           H        ARG  25   4.113  -6.182  -1.362
  178    HA   ARG  25           HA       ARG  25   2.625  -7.622   0.631
  179    HB2  ARG  25          2HB       ARG  25   3.947  -8.461  -1.934
  180    HB3  ARG  25          1HB       ARG  25   3.417  -9.674  -0.785
  181    HG2  ARG  25          2HG       ARG  25   1.734  -9.409  -2.481
  182    HG3  ARG  25          1HG       ARG  25   1.115  -8.785  -0.964
  183    HD2  ARG  25          2HD       ARG  25   1.597  -6.488  -1.736
  184    HD3  ARG  25          1HD       ARG  25   2.191  -7.143  -3.264
  185    HE   ARG  25           HE       ARG  25  -0.293  -8.199  -2.979
  186   HH11  ARG  25          1HH1      ARG  25   0.963  -4.885  -3.267
  187   HH12  ARG  25          2HH1      ARG  25  -0.527  -4.272  -3.856
  188   HH21  ARG  25          1HH2      ARG  25  -2.294  -7.262  -3.740
  189   HH22  ARG  25          2HH2      ARG  25  -2.371  -5.569  -4.050
  190    H    LEU  26           H        LEU  26   5.721  -6.618   0.338
  191    HA   LEU  26           HA       LEU  26   6.971  -8.795   1.809
  192    HB2  LEU  26          2HB       LEU  26   8.075  -6.077   1.122
  193    HB3  LEU  26          1HB       LEU  26   8.987  -7.480   1.630
  194    HG   LEU  26           HG       LEU  26   7.528  -7.169  -0.989
  195   HD11  LEU  26          1HD1      LEU  26   9.738  -7.077  -1.974
  196   HD12  LEU  26          2HD1      LEU  26  10.467  -7.219  -0.378
  197   HD13  LEU  26          3HD1      LEU  26   9.535  -5.782  -0.791
  198   HD21  LEU  26          1HD2      LEU  26   7.531  -9.491  -0.253
  199   HD22  LEU  26          2HD2      LEU  26   9.270  -9.417   0.023
  200   HD23  LEU  26          3HD2      LEU  26   8.629  -9.267  -1.613
  201    H    HIS  27           H        HIS  27   6.272  -5.346   2.248
  202    HA   HIS  27           HA       HIS  27   6.990  -5.476   5.047
  203    HB2  HIS  27          2HB       HIS  27   6.056  -3.156   3.349
  204    HB3  HIS  27          1HB       HIS  27   6.537  -3.029   5.032
  205    HD1  HIS  27          1HD       HIS  27   8.992  -2.558   5.426
  206    HD2  HIS  27          2HD       HIS  27   8.226  -3.989   1.610
  207    HE1  HIS  27          1HE       HIS  27  11.160  -2.350   4.164
  208    H    ARG  28           H        ARG  28   4.134  -5.596   3.136
  209    HA   ARG  28           HA       ARG  28   2.021  -5.874   3.539
  210    HB2  ARG  28          2HB       ARG  28   2.932  -6.446   6.351
  211    HB3  ARG  28          1HB       ARG  28   1.234  -6.536   5.881
  212    HG2  ARG  28          2HG       ARG  28   1.780  -8.216   4.195
  213    HG3  ARG  28          1HG       ARG  28   3.482  -8.109   4.634
  214    HD2  ARG  28          2HD       ARG  28   1.264  -8.969   6.488
  215    HD3  ARG  28          1HD       ARG  28   2.326 -10.066   5.611
  216    HE   ARG  28           HE       ARG  28   3.250  -8.131   7.617
  217   HH11  ARG  28          1HH1      ARG  28   3.388 -11.403   6.175
  218   HH12  ARG  28          2HH1      ARG  28   4.628 -11.948   7.186
  219   HH21  ARG  28          1HH2      ARG  28   4.987  -8.927   9.023
  220   HH22  ARG  28          2HH2      ARG  28   5.566 -10.504   8.843
  221    H    TRP  29           H        TRP  29   3.314  -3.269   3.796
  222    HA   TRP  29           HA       TRP  29   0.852  -1.958   4.575
  223    HB2  TRP  29          2HB       TRP  29   2.074   0.027   5.420
  224    HB3  TRP  29          1HB       TRP  29   2.379  -1.397   6.389
  225    HD1  TRP  29           HD       TRP  29   4.245   0.253   3.352
  226    HE1  TRP  29          1HE       TRP  29   6.754   0.368   3.968
  227    HE3  TRP  29          3HE       TRP  29   4.046  -1.855   8.001
  228    HZ2  TRP  29          2HZ       TRP  29   8.405  -0.315   6.138
  229    HZ3  TRP  29          3HZ       TRP  29   6.125  -2.076   9.287
  230    HH2  TRP  29           HH       TRP  29   8.261  -1.320   8.372
  231    H    CYS  30           H        CYS  30   0.466   0.034   3.445
  232    HA   CYS  30           HA       CYS  30   1.233  -0.209   0.701
  233    HB2  CYS  30          2HB       CYS  30  -0.518   1.620   2.217
  234    HB3  CYS  30          1HB       CYS  30  -0.013   2.132   0.621
  235    H    LYS  31           H        LYS  31   2.901   0.457  -0.211
  236    HA   LYS  31           HA       LYS  31   4.583   2.422   1.142
  237    HB2  LYS  31          2HB       LYS  31   6.418   1.458  -0.143
  238    HB3  LYS  31          1HB       LYS  31   5.587   0.220   0.776
  239    HG2  LYS  31          2HG       LYS  31   4.443  -0.546  -1.229
  240    HG3  LYS  31          1HG       LYS  31   5.187   0.746  -2.168
  241    HD2  LYS  31          2HD       LYS  31   6.708  -1.452  -0.748
  242    HD3  LYS  31          1HD       LYS  31   6.311  -1.449  -2.466
  243    HE2  LYS  31          2HE       LYS  31   7.637   0.591  -2.753
  244    HE3  LYS  31          1HE       LYS  31   8.001   0.600  -1.031
  245    HZ1  LYS  31          1HZ       LYS  31   9.800  -0.326  -2.318
  246    HZ2  LYS  31          2HZ       LYS  31   8.808  -1.529  -2.940
  247    HZ3  LYS  31          3HZ       LYS  31   9.163  -1.494  -1.294
  248    H    TYR  32           H        TYR  32   5.724   3.919  -0.227
  249    HA   TYR  32           HA       TYR  32   4.055   4.957  -2.322
  250    HB2  TYR  32          2HB       TYR  32   6.591   5.994  -1.043
  251    HB3  TYR  32          1HB       TYR  32   5.756   6.811  -2.360
  252    HD1  TYR  32          1HD       TYR  32   5.343   5.658   1.148
  253    HD2  TYR  32          2HD       TYR  32   3.939   8.234  -1.929
  254    HE1  TYR  32          1HE       TYR  32   3.915   6.795   2.765
  255    HE2  TYR  32          2HE       TYR  32   2.498   9.384  -0.317
  256    HH   TYR  32           HH       TYR  32   1.499   9.067   1.845
  257    H    VAL  33           H        VAL  33   4.227   4.250  -4.224
  258    HA   VAL  33           HA       VAL  33   6.670   3.041  -5.240
  259    HB   VAL  33           HB       VAL  33   3.899   3.272  -6.481
  260   HG11  VAL  33          1HG1      VAL  33   6.228   1.532  -7.271
  261   HG12  VAL  33          2HG1      VAL  33   5.616   2.927  -8.162
  262   HG13  VAL  33          3HG1      VAL  33   4.619   1.483  -7.989
  263   HG21  VAL  33          1HG2      VAL  33   3.805   1.958  -4.443
  264   HG22  VAL  33          2HG2      VAL  33   5.144   0.957  -5.003
  265   HG23  VAL  33          3HG2      VAL  33   3.599   0.916  -5.852
  266    H    PHE  34           H        PHE  34   4.564   5.809  -5.539
  267    HA   PHE  34           HA       PHE  34   6.581   7.286  -6.927
  268    HB2  PHE  34          2HB       PHE  34   5.183   6.129  -8.728
  269    HB3  PHE  34          1HB       PHE  34   3.806   7.044  -8.140
  270    HD1  PHE  34          1HD       PHE  34   7.142   7.350  -9.705
  271    HD2  PHE  34          2HD       PHE  34   3.453   9.268  -8.840
  272    HE1  PHE  34          1HE       PHE  34   7.750   9.186 -11.221
  273    HE2  PHE  34          2HE       PHE  34   4.050  11.118 -10.350
  274    HZ   PHE  34           HZ       PHE  34   6.206  11.078 -11.547
  Start of MODEL   10
    1    H1   ASP   1          1HT       ASP   1  -8.927  11.662   1.930
    2    H2   ASP   1          2HT       ASP   1  -9.894  11.523   3.302
    3    H3   ASP   1          3HT       ASP   1 -10.092  10.456   1.985
    4    HA   ASP   1           HA       ASP   1  -7.620  10.670   3.551
    5    HB2  ASP   1          2HB       ASP   1  -9.514   9.731   4.914
    6    HB3  ASP   1          1HB       ASP   1  -9.736   8.494   3.685
    7    H    CYS   2           H        CYS   2  -6.010   9.379   2.797
    8    HA   CYS   2           HA       CYS   2  -6.549   7.751   0.450
    9    HB2  CYS   2          2HB       CYS   2  -5.708   9.948  -0.334
   10    HB3  CYS   2          1HB       CYS   2  -4.323   9.780   0.740
   11    H    LEU   3           H        LEU   3  -5.734   5.804   0.812
   12    HA   LEU   3           HA       LEU   3  -4.151   5.278   3.106
   13    HB2  LEU   3          2HB       LEU   3  -4.836   3.571   0.763
   14    HB3  LEU   3          1HB       LEU   3  -4.029   2.968   2.188
   15    HG   LEU   3           HG       LEU   3  -6.832   4.130   2.203
   16   HD11  LEU   3          1HD1      LEU   3  -6.760   2.012   0.988
   17   HD12  LEU   3          2HD1      LEU   3  -7.592   1.844   2.533
   18   HD13  LEU   3          3HD1      LEU   3  -5.938   1.257   2.354
   19   HD21  LEU   3          1HD2      LEU   3  -5.247   2.685   4.323
   20   HD22  LEU   3          2HD2      LEU   3  -6.934   3.171   4.456
   21   HD23  LEU   3          3HD2      LEU   3  -5.675   4.396   4.329
   22    H    GLY   4           H        GLY   4  -2.209   5.381   3.299
   23    HA2  GLY   4          2HA       GLY   4  -0.146   4.908   1.427
   24    HA3  GLY   4          1HA       GLY   4  -0.439   6.637   1.609
   25    H    ALA   5           H        ALA   5   1.571   6.939   2.657
   26    HA   ALA   5           HA       ALA   5   2.956   7.203   4.417
   27    HB1  ALA   5          1HB       ALA   5   1.023   8.554   5.078
   28    HB2  ALA   5          2HB       ALA   5   1.926   7.918   6.456
   29    HB3  ALA   5          3HB       ALA   5   0.393   7.177   5.990
   30    H    PHE   6           H        PHE   6   2.447   4.393   3.773
   31    HA   PHE   6           HA       PHE   6   3.068   2.358   4.448
   32    HB2  PHE   6          2HB       PHE   6   4.352   3.837   6.762
   33    HB3  PHE   6          1HB       PHE   6   4.647   2.147   6.366
   34    HD1  PHE   6          1HD       PHE   6   5.227   5.630   5.371
   35    HD2  PHE   6          2HD       PHE   6   6.020   1.546   4.483
   36    HE1  PHE   6          1HE       PHE   6   7.039   6.317   3.853
   37    HE2  PHE   6          2HE       PHE   6   7.834   2.229   2.963
   38    HZ   PHE   6           HZ       PHE   6   8.342   4.611   2.646
   39    H    ARG   7           H        ARG   7   0.527   3.544   5.343
   40    HA   ARG   7           HA       ARG   7  -0.067   2.399   7.912
   41    HB2  ARG   7          2HB       ARG   7  -1.938   3.363   5.730
   42    HB3  ARG   7          1HB       ARG   7  -2.411   2.961   7.370
   43    HG2  ARG   7          2HG       ARG   7  -0.550   5.203   6.597
   44    HG3  ARG   7          1HG       ARG   7  -2.261   5.383   6.977
   45    HD2  ARG   7          2HD       ARG   7  -0.142   4.340   8.856
   46    HD3  ARG   7          1HD       ARG   7  -0.814   5.968   8.871
   47    HE   ARG   7           HE       ARG   7  -2.909   4.122   9.042
   48   HH11  ARG   7          1HH1      ARG   7  -0.245   5.305  11.022
   49   HH12  ARG   7          2HH1      ARG   7  -1.024   5.020  12.499
   50   HH21  ARG   7          1HH2      ARG   7  -3.965   3.730  10.999
   51   HH22  ARG   7          2HH2      ARG   7  -3.236   4.070  12.503
   52    H    LYS   8           H        LYS   8  -1.467   0.618   8.267
   53    HA   LYS   8           HA       LYS   8  -0.968  -1.646   6.676
   54    HB2  LYS   8          2HB       LYS   8  -3.004  -1.185   8.845
   55    HB3  LYS   8          1HB       LYS   8  -2.776  -2.730   8.045
   56    HG2  LYS   8          2HG       LYS   8  -0.452  -2.776   8.854
   57    HG3  LYS   8          1HG       LYS   8  -0.723  -1.245   9.666
   58    HD2  LYS   8          2HD       LYS   8  -0.914  -3.160  11.208
   59    HD3  LYS   8          1HD       LYS   8  -2.405  -2.231  11.094
   60    HE2  LYS   8          2HE       LYS   8  -2.842  -4.645  11.138
   61    HE3  LYS   8          1HE       LYS   8  -3.371  -3.940   9.621
   62    HZ1  LYS   8          1HZ       LYS   8  -1.394  -4.817   8.561
   63    HZ2  LYS   8          2HZ       LYS   8  -2.204  -6.070   9.316
   64    HZ3  LYS   8          3HZ       LYS   8  -0.819  -5.418  10.012
   65    H    CYS   9           H        CYS   9  -2.086  -2.659   5.166
   66    HA   CYS   9           HA       CYS   9  -4.782  -1.901   4.494
   67    HB2  CYS   9          2HB       CYS   9  -3.974  -1.656   2.066
   68    HB3  CYS   9          1HB       CYS   9  -3.653  -0.309   3.158
   69    H    ILE  10           H        ILE  10  -5.455  -3.400   2.587
   70    HA   ILE  10           HA       ILE  10  -4.711  -6.064   3.284
   71    HB   ILE  10           HB       ILE  10  -6.459  -5.110   0.978
   72   HG12  ILE  10          2HG1      ILE  10  -7.256  -6.021   3.761
   73   HG13  ILE  10          1HG1      ILE  10  -7.288  -4.357   3.191
   74   HG21  ILE  10          1HG2      ILE  10  -6.243  -7.818   2.308
   75   HG22  ILE  10          2HG2      ILE  10  -5.663  -7.410   0.693
   76   HG23  ILE  10          3HG2      ILE  10  -7.392  -7.388   1.043
   77   HD11  ILE  10          1HD1      ILE  10  -8.993  -4.970   1.540
   78   HD12  ILE  10          2HD1      ILE  10  -9.507  -5.330   3.188
   79   HD13  ILE  10          3HD1      ILE  10  -8.956  -6.630   2.131
   80    HA   PRO  11           HA       PRO  11  -1.279  -5.751   0.385
   81    HB2  PRO  11          2HB       PRO  11  -0.554  -8.452   1.121
   82    HB3  PRO  11          1HB       PRO  11   0.261  -6.937   1.507
   83    HG2  PRO  11          2HG       PRO  11  -1.021  -8.473   3.353
   84    HG3  PRO  11          1HG       PRO  11  -0.827  -6.721   3.507
   85    HD2  PRO  11          2HD       PRO  11  -3.178  -8.308   2.637
   86    HD3  PRO  11          1HD       PRO  11  -3.073  -6.851   3.659
   87    H    ASP  12           H        ASP  12  -3.248  -8.749   0.404
   88    HA   ASP  12           HA       ASP  12  -2.189  -9.427  -2.216
   89    HB2  ASP  12          2HB       ASP  12  -2.605 -11.193  -0.511
   90    HB3  ASP  12          1HB       ASP  12  -4.332 -10.887  -0.665
   91    H    ASN  13           H        ASN  13  -4.682  -7.664  -1.027
   92    HA   ASN  13           HA       ASN  13  -5.724  -7.271  -3.705
   93    HB2  ASN  13          2HB       ASN  13  -7.397  -8.678  -2.400
   94    HB3  ASN  13          1HB       ASN  13  -7.481  -7.379  -1.222
   95   HD21  ASN  13          1HD2      ASN  13  -8.285  -8.353  -4.448
   96   HD22  ASN  13          2HD2      ASN  13  -9.449  -7.120  -4.755
   97    H    ASP  14           H        ASP  14  -4.293  -5.631  -3.675
   98    HA   ASP  14           HA       ASP  14  -3.738  -4.044  -1.496
   99    HB2  ASP  14          2HB       ASP  14  -2.498  -2.568  -3.041
  100    HB3  ASP  14          1HB       ASP  14  -2.099  -4.272  -3.216
  101    H    LYS  15           H        LYS  15  -4.727  -2.690  -0.532
  102    HA   LYS  15           HA       LYS  15  -6.685  -0.965  -1.850
  103    HB2  LYS  15          2HB       LYS  15  -6.337  -1.683   1.074
  104    HB3  LYS  15          1HB       LYS  15  -7.511  -0.532   0.463
  105    HG2  LYS  15          2HG       LYS  15  -7.438  -3.461  -0.226
  106    HG3  LYS  15          1HG       LYS  15  -8.486  -2.724   0.988
  107    HD2  LYS  15          2HD       LYS  15  -9.489  -1.322  -0.775
  108    HD3  LYS  15          1HD       LYS  15  -8.474  -2.125  -1.973
  109    HE2  LYS  15          2HE       LYS  15  -9.501  -4.257  -1.451
  110    HE3  LYS  15          1HE       LYS  15 -10.462  -3.494  -0.188
  111    HZ1  LYS  15          1HZ       LYS  15 -11.723  -3.828  -2.217
  112    HZ2  LYS  15          2HZ       LYS  15 -10.636  -2.849  -3.083
  113    HZ3  LYS  15          3HZ       LYS  15 -11.578  -2.188  -1.854
  114    H    CYS  16           H        CYS  16  -5.337   0.641  -2.609
  115    HA   CYS  16           HA       CYS  16  -4.228   2.356  -0.671
  116    HB2  CYS  16          2HB       CYS  16  -2.601   0.413  -1.600
  117    HB3  CYS  16          1HB       CYS  16  -2.499   1.538  -2.950
  118    H    CYS  17           H        CYS  17  -3.813   4.436  -1.993
  119    HA   CYS  17           HA       CYS  17  -5.941   4.827  -3.695
  120    HB2  CYS  17          2HB       CYS  17  -3.469   6.530  -3.394
  121    HB3  CYS  17          1HB       CYS  17  -4.915   7.022  -4.268
  122    H    ARG  18           H        ARG  18  -2.640   3.988  -4.636
  123    HA   ARG  18           HA       ARG  18  -1.838   2.925  -6.420
  124    HB2  ARG  18          2HB       ARG  18  -3.675   1.383  -5.933
  125    HB3  ARG  18          1HB       ARG  18  -4.753   2.309  -6.947
  126    HG2  ARG  18          2HG       ARG  18  -3.529   1.604  -8.931
  127    HG3  ARG  18          1HG       ARG  18  -2.343   0.775  -7.917
  128    HD2  ARG  18          2HD       ARG  18  -4.067  -0.706  -7.067
  129    HD3  ARG  18          1HD       ARG  18  -5.275   0.115  -8.050
  130    HE   ARG  18           HE       ARG  18  -3.829  -0.640  -9.993
  131   HH11  ARG  18          1HH1      ARG  18  -3.831  -2.540  -6.972
  132   HH12  ARG  18          2HH1      ARG  18  -3.772  -4.013  -7.773
  133   HH21  ARG  18          1HH2      ARG  18  -3.700  -2.746 -11.051
  134   HH22  ARG  18          2HH2      ARG  18  -3.689  -4.151 -10.089
  135    HA   PRO  19           HA       PRO  19  -1.020   2.177  -8.058
  136    HB2  PRO  19          2HB       PRO  19   0.478   2.264 -10.239
  137    HB3  PRO  19          1HB       PRO  19  -1.220   1.788 -10.325
  138    HG2  PRO  19          2HG       PRO  19   0.071   4.303 -11.193
  139    HG3  PRO  19          1HG       PRO  19  -1.400   3.525 -11.798
  140    HD2  PRO  19          2HD       PRO  19  -1.180   5.684  -9.905
  141    HD3  PRO  19          1HD       PRO  19  -2.658   4.903 -10.496
  142    H    ASN  20           H        ASN  20  -0.334   5.358  -7.710
  143    HA   ASN  20           HA       ASN  20   2.549   5.094  -7.648
  144    HB2  ASN  20          2HB       ASN  20   0.858   7.414  -6.654
  145    HB3  ASN  20          1HB       ASN  20   2.595   7.432  -6.927
  146   HD21  ASN  20          1HD2      ASN  20   3.377   7.444  -9.108
  147   HD22  ASN  20          2HD2      ASN  20   2.333   7.854 -10.406
  148    H    LEU  21           H        LEU  21  -0.136   4.895  -5.571
  149    HA   LEU  21           HA       LEU  21   1.652   4.224  -3.347
  150    HB2  LEU  21          2HB       LEU  21  -1.355   4.646  -3.163
  151    HB3  LEU  21          1HB       LEU  21  -0.206   4.439  -1.891
  152    HG   LEU  21           HG       LEU  21  -0.220   6.874  -3.655
  153   HD11  LEU  21          1HD1      LEU  21  -0.909   6.531  -0.754
  154   HD12  LEU  21          2HD1      LEU  21  -2.061   6.840  -2.048
  155   HD13  LEU  21          3HD1      LEU  21  -0.848   8.054  -1.635
  156   HD21  LEU  21          1HD2      LEU  21   2.019   6.282  -3.021
  157   HD22  LEU  21          2HD2      LEU  21   1.531   6.068  -1.350
  158   HD23  LEU  21          3HD2      LEU  21   1.491   7.674  -2.078
  159    H    VAL  22           H        VAL  22   1.967   2.195  -3.065
  160    HA   VAL  22           HA       VAL  22  -0.099   0.361  -4.000
  161    HB   VAL  22           HB       VAL  22   1.682  -1.273  -4.636
  162   HG11  VAL  22          1HG1      VAL  22   2.296  -0.215  -6.752
  163   HG12  VAL  22          2HG1      VAL  22   1.817   1.352  -6.105
  164   HG13  VAL  22          3HG1      VAL  22   0.606   0.095  -6.347
  165   HG21  VAL  22          1HG2      VAL  22   3.976  -0.473  -4.995
  166   HG22  VAL  22          2HG2      VAL  22   3.521  -0.401  -3.292
  167   HG23  VAL  22          3HG2      VAL  22   3.548   1.073  -4.261
  168    H    CYS  23           H        CYS  23  -0.663  -1.196  -2.655
  169    HA   CYS  23           HA       CYS  23   0.549  -1.178  -0.026
  170    HB2  CYS  23          2HB       CYS  23  -1.956  -1.260  -0.318
  171    HB3  CYS  23          1HB       CYS  23  -1.763  -2.821  -1.108
  172    H    SER  24           H        SER  24   2.359  -2.309   0.136
  173    HA   SER  24           HA       SER  24   3.083  -4.245  -1.765
  174    HB2  SER  24          2HB       SER  24   4.749  -2.977  -0.578
  175    HB3  SER  24          1HB       SER  24   4.196  -3.648   0.957
  176    HG   SER  24           HG       SER  24   5.594  -4.909  -1.151
  177    H    ARG  25           H        ARG  25   2.807  -6.353  -1.848
  178    HA   ARG  25           HA       ARG  25   0.922  -7.728  -0.403
  179    HB2  ARG  25          2HB       ARG  25   1.573  -8.208  -2.663
  180    HB3  ARG  25          1HB       ARG  25   3.208  -8.581  -2.141
  181    HG2  ARG  25          2HG       ARG  25   2.279 -10.402  -0.805
  182    HG3  ARG  25          1HG       ARG  25   0.712 -10.092  -1.568
  183    HD2  ARG  25          2HD       ARG  25   1.982 -11.901  -2.719
  184    HD3  ARG  25          1HD       ARG  25   1.641 -10.506  -3.752
  185    HE   ARG  25           HE       ARG  25   3.913  -9.775  -3.373
  186   HH11  ARG  25          1HH1      ARG  25   3.265 -13.203  -2.704
  187   HH12  ARG  25          2HH1      ARG  25   4.849 -13.701  -3.021
  188   HH21  ARG  25          1HH2      ARG  25   6.121 -10.476  -3.735
  189   HH22  ARG  25          2HH2      ARG  25   6.513 -12.114  -3.584
  190    H    LEU  26           H        LEU  26   4.416  -7.646  -0.176
  191    HA   LEU  26           HA       LEU  26   4.407  -9.592   1.983
  192    HB2  LEU  26          2HB       LEU  26   6.875  -9.449   1.935
  193    HB3  LEU  26          1HB       LEU  26   6.150 -10.008   0.438
  194    HG   LEU  26           HG       LEU  26   6.952  -7.139   0.751
  195   HD11  LEU  26          1HD1      LEU  26   8.766  -9.438  -0.028
  196   HD12  LEU  26          2HD1      LEU  26   8.911  -8.459   1.430
  197   HD13  LEU  26          3HD1      LEU  26   9.174  -7.728  -0.151
  198   HD21  LEU  26          1HD2      LEU  26   5.675  -7.763  -1.252
  199   HD22  LEU  26          2HD2      LEU  26   6.832  -9.039  -1.598
  200   HD23  LEU  26          3HD2      LEU  26   7.334  -7.356  -1.682
  201    H    HIS  27           H        HIS  27   5.197  -6.189   1.554
  202    HA   HIS  27           HA       HIS  27   6.030  -6.004   4.301
  203    HB2  HIS  27          2HB       HIS  27   5.536  -3.738   2.339
  204    HB3  HIS  27          1HB       HIS  27   6.223  -3.555   3.942
  205    HD1  HIS  27          1HD       HIS  27   8.752  -4.323   4.256
  206    HD2  HIS  27          2HD       HIS  27   7.226  -4.779   0.409
  207    HE1  HIS  27          1HE       HIS  27  10.719  -4.764   2.778
  208    H    ARG  28           H        ARG  28   3.064  -5.724   2.618
  209    HA   ARG  28           HA       ARG  28   0.959  -5.715   3.314
  210    HB2  ARG  28          2HB       ARG  28   2.182  -5.975   6.056
  211    HB3  ARG  28          1HB       ARG  28   0.467  -6.144   5.709
  212    HG2  ARG  28          2HG       ARG  28   0.865  -8.110   4.408
  213    HG3  ARG  28          1HG       ARG  28   2.612  -7.871   4.505
  214    HD2  ARG  28          2HD       ARG  28   0.818  -8.325   6.877
  215    HD3  ARG  28          1HD       ARG  28   1.747  -9.589   6.070
  216    HE   ARG  28           HE       ARG  28   3.715  -8.035   6.607
  217   HH11  ARG  28          1HH1      ARG  28   0.920  -8.338   8.764
  218   HH12  ARG  28          2HH1      ARG  28   1.838  -8.220  10.187
  219   HH21  ARG  28          1HH2      ARG  28   4.952  -7.852   8.556
  220   HH22  ARG  28          2HH2      ARG  28   4.208  -7.941  10.074
  221    H    TRP  29           H        TRP  29   2.496  -3.213   3.071
  222    HA   TRP  29           HA       TRP  29   0.488  -1.541   4.267
  223    HB2  TRP  29          2HB       TRP  29   2.104   0.101   5.149
  224    HB3  TRP  29          1HB       TRP  29   2.173  -1.425   6.000
  225    HD1  TRP  29           HD       TRP  29   4.136  -0.080   2.878
  226    HE1  TRP  29          1HE       TRP  29   6.662  -0.426   3.331
  227    HE3  TRP  29          3HE       TRP  29   3.872  -2.118   7.545
  228    HZ2  TRP  29          2HZ       TRP  29   8.299  -1.390   5.386
  229    HZ3  TRP  29          3HZ       TRP  29   5.968  -2.709   8.691
  230    HH2  TRP  29           HH       TRP  29   8.128  -2.347   7.625
  231    H    CYS  30           H        CYS  30   0.433   0.571   3.419
  232    HA   CYS  30           HA       CYS  30   0.932   0.678   0.619
  233    HB2  CYS  30          2HB       CYS  30  -0.246   2.568   2.591
  234    HB3  CYS  30          1HB       CYS  30   0.252   3.112   0.988
  235    H    LYS  31           H        LYS  31   2.734   1.081  -0.267
  236    HA   LYS  31           HA       LYS  31   4.576   2.903   1.089
  237    HB2  LYS  31          2HB       LYS  31   6.417   1.599   0.140
  238    HB3  LYS  31          1HB       LYS  31   5.329   0.541   0.994
  239    HG2  LYS  31          2HG       LYS  31   4.344  -0.160  -1.116
  240    HG3  LYS  31          1HG       LYS  31   5.461   0.897  -1.982
  241    HD2  LYS  31          2HD       LYS  31   7.346  -0.338  -0.930
  242    HD3  LYS  31          1HD       LYS  31   6.176  -1.457  -0.234
  243    HE2  LYS  31          2HE       LYS  31   7.039  -2.451  -2.218
  244    HE3  LYS  31          1HE       LYS  31   5.388  -1.941  -2.559
  245    HZ1  LYS  31          1HZ       LYS  31   6.843  -1.361  -4.373
  246    HZ2  LYS  31          2HZ       LYS  31   7.868  -0.520  -3.358
  247    HZ3  LYS  31          3HZ       LYS  31   6.339   0.075  -3.649
  248    H    TYR  32           H        TYR  32   5.970   4.157  -0.381
  249    HA   TYR  32           HA       TYR  32   4.293   5.236  -2.499
  250    HB2  TYR  32          2HB       TYR  32   6.790   6.311  -1.161
  251    HB3  TYR  32          1HB       TYR  32   5.881   7.153  -2.402
  252    HD1  TYR  32          1HD       TYR  32   5.919   6.119   1.129
  253    HD2  TYR  32          2HD       TYR  32   3.773   8.215  -1.873
  254    HE1  TYR  32          1HE       TYR  32   4.523   7.158   2.853
  255    HE2  TYR  32          2HE       TYR  32   2.374   9.257  -0.180
  256    HH   TYR  32           HH       TYR  32   3.134   9.263   3.051
  257    H    VAL  33           H        VAL  33   4.707   4.621  -4.525
  258    HA   VAL  33           HA       VAL  33   7.440   3.791  -5.071
  259    HB   VAL  33           HB       VAL  33   5.985   1.869  -5.343
  260   HG11  VAL  33          1HG1      VAL  33   4.190   1.765  -6.979
  261   HG12  VAL  33          2HG1      VAL  33   4.427   3.478  -7.336
  262   HG13  VAL  33          3HG1      VAL  33   3.875   2.979  -5.737
  263   HG21  VAL  33          1HG2      VAL  33   7.829   1.979  -6.881
  264   HG22  VAL  33          2HG2      VAL  33   6.879   2.943  -8.009
  265   HG23  VAL  33          3HG2      VAL  33   6.439   1.264  -7.695
  266    H    PHE  34           H        PHE  34   8.421   5.438  -5.778
  267    HA   PHE  34           HA       PHE  34   7.447   6.736  -8.201
  268    HB2  PHE  34          2HB       PHE  34   8.583   8.153  -5.774
  269    HB3  PHE  34          1HB       PHE  34   8.363   8.911  -7.342
  270    HD1  PHE  34          1HD       PHE  34   6.091   9.349  -8.182
  271    HD2  PHE  34          2HD       PHE  34   6.773   7.810  -4.285
  272    HE1  PHE  34          1HE       PHE  34   3.809   9.988  -7.546
  273    HE2  PHE  34          2HE       PHE  34   4.487   8.440  -3.636
  274    HZ   PHE  34           HZ       PHE  34   2.998   9.533  -5.263
  Start of MODEL   11
    1    H1   ASP   1          1HT       ASP   1  -5.777  12.775   2.801
    2    H2   ASP   1          2HT       ASP   1  -6.951  13.380   3.863
    3    H3   ASP   1          3HT       ASP   1  -7.299  13.144   2.222
    4    HA   ASP   1           HA       ASP   1  -6.612  10.988   4.075
    5    HB2  ASP   1          2HB       ASP   1  -8.774  11.800   4.684
    6    HB3  ASP   1          1HB       ASP   1  -9.269  11.940   3.003
    7    H    CYS   2           H        CYS   2  -5.655   9.432   2.990
    8    HA   CYS   2           HA       CYS   2  -6.794   8.347   0.646
    9    HB2  CYS   2          2HB       CYS   2  -5.311  10.327  -0.158
   10    HB3  CYS   2          1HB       CYS   2  -3.948   9.386   0.429
   11    H    LEU   3           H        LEU   3  -5.759   6.244   0.302
   12    HA   LEU   3           HA       LEU   3  -4.852   5.160   2.813
   13    HB2  LEU   3          2HB       LEU   3  -5.165   3.917   0.175
   14    HB3  LEU   3          1HB       LEU   3  -5.015   3.025   1.674
   15    HG   LEU   3           HG       LEU   3  -7.380   4.798   0.963
   16   HD11  LEU   3          1HD1      LEU   3  -8.652   2.734   0.821
   17   HD12  LEU   3          2HD1      LEU   3  -7.180   1.807   1.118
   18   HD13  LEU   3          3HD1      LEU   3  -7.342   2.752  -0.363
   19   HD21  LEU   3          1HD2      LEU   3  -8.404   3.890   2.963
   20   HD22  LEU   3          2HD2      LEU   3  -6.896   4.721   3.359
   21   HD23  LEU   3          3HD2      LEU   3  -6.945   2.961   3.302
   22    H    GLY   4           H        GLY   4  -2.935   5.744   3.152
   23    HA2  GLY   4          2HA       GLY   4  -0.741   4.596   1.725
   24    HA3  GLY   4          1HA       GLY   4  -0.820   6.346   1.522
   25    H    ALA   5           H        ALA   5   0.804   7.119   2.698
   26    HA   ALA   5           HA       ALA   5   2.170   7.615   4.402
   27    HB1  ALA   5          1HB       ALA   5   1.165   8.058   6.523
   28    HB2  ALA   5          2HB       ALA   5  -0.272   7.119   6.096
   29    HB3  ALA   5          3HB       ALA   5   0.099   8.624   5.234
   30    H    PHE   6           H        PHE   6   2.084   4.813   3.642
   31    HA   PHE   6           HA       PHE   6   2.982   2.828   4.219
   32    HB2  PHE   6          2HB       PHE   6   4.180   4.366   6.538
   33    HB3  PHE   6          1HB       PHE   6   4.708   2.789   5.975
   34    HD1  PHE   6          1HD       PHE   6   4.841   6.366   5.469
   35    HD2  PHE   6          2HD       PHE   6   5.871   2.586   3.815
   36    HE1  PHE   6          1HE       PHE   6   6.471   7.467   3.984
   37    HE2  PHE   6          2HE       PHE   6   7.490   3.674   2.318
   38    HZ   PHE   6           HZ       PHE   6   7.800   6.117   2.403
   39    H    ARG   7           H        ARG   7   0.379   3.295   5.007
   40    HA   ARG   7           HA       ARG   7   0.214   2.001   7.614
   41    HB2  ARG   7          2HB       ARG   7  -1.956   3.200   5.880
   42    HB3  ARG   7          1HB       ARG   7  -2.237   2.405   7.419
   43    HG2  ARG   7          2HG       ARG   7  -0.606   4.917   7.025
   44    HG3  ARG   7          1HG       ARG   7  -2.274   4.866   7.585
   45    HD2  ARG   7          2HD       ARG   7  -0.852   5.140   9.497
   46    HD3  ARG   7          1HD       ARG   7  -1.495   3.503   9.541
   47    HE   ARG   7           HE       ARG   7   1.023   3.564   8.243
   48   HH11  ARG   7          1HH1      ARG   7  -0.369   3.719  11.492
   49   HH12  ARG   7          2HH1      ARG   7   0.992   3.058  12.259
   50   HH21  ARG   7          1HH2      ARG   7   2.853   2.631   9.271
   51   HH22  ARG   7          2HH2      ARG   7   2.881   2.408  10.946
   52    H    LYS   8           H        LYS   8  -1.257   0.209   7.812
   53    HA   LYS   8           HA       LYS   8  -0.477  -1.930   6.263
   54    HB2  LYS   8          2HB       LYS   8  -2.271  -3.209   7.323
   55    HB3  LYS   8          1HB       LYS   8  -1.410  -2.212   8.483
   56    HG2  LYS   8          2HG       LYS   8  -3.202  -0.625   8.558
   57    HG3  LYS   8          1HG       LYS   8  -4.038  -1.446   7.239
   58    HD2  LYS   8          2HD       LYS   8  -4.305  -3.430   8.649
   59    HD3  LYS   8          1HD       LYS   8  -3.469  -2.605   9.966
   60    HE2  LYS   8          2HE       LYS   8  -5.205  -0.923  10.056
   61    HE3  LYS   8          1HE       LYS   8  -6.013  -1.647   8.667
   62    HZ1  LYS   8          1HZ       LYS   8  -5.613  -3.008  11.281
   63    HZ2  LYS   8          2HZ       LYS   8  -6.475  -3.606   9.973
   64    HZ3  LYS   8          3HZ       LYS   8  -7.025  -2.254  10.784
   65    H    CYS   9           H        CYS   9  -1.362  -3.118   4.671
   66    HA   CYS   9           HA       CYS   9  -3.744  -2.061   3.326
   67    HB2  CYS   9          2HB       CYS   9  -2.631  -2.437   1.172
   68    HB3  CYS   9          1HB       CYS   9  -1.758  -1.253   2.143
   69    H    ILE  10           H        ILE  10  -4.772  -3.692   1.980
   70    HA   ILE  10           HA       ILE  10  -4.358  -6.411   2.936
   71    HB   ILE  10           HB       ILE  10  -6.571  -5.191   1.236
   72   HG12  ILE  10          2HG1      ILE  10  -6.600  -5.987   4.160
   73   HG13  ILE  10          1HG1      ILE  10  -6.504  -4.337   3.560
   74   HG21  ILE  10          1HG2      ILE  10  -6.305  -7.579   0.793
   75   HG22  ILE  10          2HG2      ILE  10  -7.808  -7.268   1.658
   76   HG23  ILE  10          3HG2      ILE  10  -6.416  -7.924   2.520
   77   HD11  ILE  10          1HD1      ILE  10  -8.749  -4.885   4.294
   78   HD12  ILE  10          2HD1      ILE  10  -8.800  -6.239   3.163
   79   HD13  ILE  10          3HD1      ILE  10  -8.718  -4.587   2.554
   80    HA   PRO  11           HA       PRO  11  -2.369  -6.872  -1.081
   81    HB2  PRO  11          2HB       PRO  11  -1.549  -9.502  -0.712
   82    HB3  PRO  11          1HB       PRO  11  -0.659  -8.072  -0.202
   83    HG2  PRO  11          2HG       PRO  11  -1.954 -10.038   1.459
   84    HG3  PRO  11          1HG       PRO  11  -1.006  -8.641   1.952
   85    HD2  PRO  11          2HD       PRO  11  -3.916  -8.983   1.895
   86    HD3  PRO  11          1HD       PRO  11  -2.937  -7.757   2.725
   87    H    ASP  12           H        ASP  12  -4.906  -8.890   0.078
   88    HA   ASP  12           HA       ASP  12  -5.271 -10.456  -2.334
   89    HB2  ASP  12          2HB       ASP  12  -7.114 -10.068   0.041
   90    HB3  ASP  12          1HB       ASP  12  -7.353 -11.244  -1.241
   91    H    ASN  13           H        ASN  13  -6.025  -7.414  -1.316
   92    HA   ASN  13           HA       ASN  13  -7.343  -6.666  -3.689
   93    HB2  ASN  13          2HB       ASN  13  -9.323  -7.543  -2.398
   94    HB3  ASN  13          1HB       ASN  13  -8.907  -6.455  -1.080
   95   HD21  ASN  13          1HD2      ASN  13 -10.298  -6.717  -4.252
   96   HD22  ASN  13          2HD2      ASN  13 -10.925  -5.122  -4.325
   97    H    ASP  14           H        ASP  14  -5.605  -5.375  -3.805
   98    HA   ASP  14           HA       ASP  14  -4.605  -4.027  -1.551
   99    HB2  ASP  14          2HB       ASP  14  -2.992  -2.909  -3.023
  100    HB3  ASP  14          1HB       ASP  14  -3.036  -4.643  -3.268
  101    H    LYS  15           H        LYS  15  -5.164  -2.382  -0.615
  102    HA   LYS  15           HA       LYS  15  -6.580  -0.333  -2.101
  103    HB2  LYS  15          2HB       LYS  15  -7.100  -1.226   0.737
  104    HB3  LYS  15          1HB       LYS  15  -7.812   0.194  -0.021
  105    HG2  LYS  15          2HG       LYS  15  -8.879  -1.237  -1.699
  106    HG3  LYS  15          1HG       LYS  15  -8.188  -2.658  -0.919
  107    HD2  LYS  15          2HD       LYS  15 -10.510  -2.345  -0.267
  108    HD3  LYS  15          1HD       LYS  15  -9.448  -2.127   1.124
  109    HE2  LYS  15          2HE       LYS  15  -9.609   0.309   0.844
  110    HE3  LYS  15          1HE       LYS  15 -10.661   0.074  -0.549
  111    HZ1  LYS  15          1HZ       LYS  15 -11.281  -0.815   2.213
  112    HZ2  LYS  15          2HZ       LYS  15 -12.313  -0.891   0.873
  113    HZ3  LYS  15          3HZ       LYS  15 -11.852   0.586   1.503
  114    H    CYS  16           H        CYS  16  -4.862   0.847  -2.512
  115    HA   CYS  16           HA       CYS  16  -3.837   2.467  -0.352
  116    HB2  CYS  16          2HB       CYS  16  -2.153   1.185  -2.544
  117    HB3  CYS  16          1HB       CYS  16  -1.576   2.378  -1.389
  118    H    CYS  17           H        CYS  17  -2.682   4.435  -1.682
  119    HA   CYS  17           HA       CYS  17  -4.636   5.309  -3.556
  120    HB2  CYS  17          2HB       CYS  17  -1.930   6.599  -3.230
  121    HB3  CYS  17          1HB       CYS  17  -3.424   7.336  -3.744
  122    H    ARG  18           H        ARG  18  -4.454   3.499  -5.006
  123    HA   ARG  18           HA       ARG  18  -2.128   3.105  -6.563
  124    HB2  ARG  18          2HB       ARG  18  -3.586   1.782  -8.098
  125    HB3  ARG  18          1HB       ARG  18  -3.718   1.285  -6.420
  126    HG2  ARG  18          2HG       ARG  18  -5.824   2.391  -6.191
  127    HG3  ARG  18          1HG       ARG  18  -5.657   3.139  -7.778
  128    HD2  ARG  18          2HD       ARG  18  -7.206   1.232  -7.793
  129    HD3  ARG  18          1HD       ARG  18  -5.823   0.970  -8.847
  130    HE   ARG  18           HE       ARG  18  -4.969  -0.243  -6.707
  131   HH11  ARG  18          1HH1      ARG  18  -8.305  -0.346  -7.966
  132   HH12  ARG  18          2HH1      ARG  18  -8.524  -1.980  -7.537
  133   HH21  ARG  18          1HH2      ARG  18  -5.333  -2.459  -6.148
  134   HH22  ARG  18          2HH2      ARG  18  -6.849  -3.189  -6.498
  135    HA   PRO  19           HA       PRO  19  -1.341   2.721  -8.283
  136    HB2  PRO  19          2HB       PRO  19  -0.081   3.295 -10.545
  137    HB3  PRO  19          1HB       PRO  19  -1.713   2.617 -10.565
  138    HG2  PRO  19          2HG       PRO  19  -0.812   5.363 -11.170
  139    HG3  PRO  19          1HG       PRO  19  -2.261   4.508 -11.735
  140    HD2  PRO  19          2HD       PRO  19  -1.993   6.389  -9.558
  141    HD3  PRO  19          1HD       PRO  19  -3.466   5.599 -10.147
  142    H    ASN  20           H        ASN  20  -1.064   5.592  -7.134
  143    HA   ASN  20           HA       ASN  20   1.702   6.275  -7.593
  144    HB2  ASN  20          2HB       ASN  20  -0.071   7.961  -6.965
  145    HB3  ASN  20          1HB       ASN  20  -0.110   7.250  -5.361
  146   HD21  ASN  20          1HD2      ASN  20   1.697   9.144  -7.602
  147   HD22  ASN  20          2HD2      ASN  20   2.858   9.760  -6.501
  148    H    LEU  21           H        LEU  21  -0.154   4.611  -5.156
  149    HA   LEU  21           HA       LEU  21   2.327   3.589  -3.980
  150    HB2  LEU  21          2HB       LEU  21  -0.342   4.004  -2.616
  151    HB3  LEU  21          1HB       LEU  21   0.985   3.105  -1.932
  152    HG   LEU  21           HG       LEU  21   2.302   5.314  -2.127
  153   HD11  LEU  21          1HD1      LEU  21   0.572   6.465  -3.494
  154   HD12  LEU  21          2HD1      LEU  21   1.058   7.309  -2.026
  155   HD13  LEU  21          3HD1      LEU  21  -0.470   6.436  -2.058
  156   HD21  LEU  21          1HD2      LEU  21   1.683   4.237  -0.061
  157   HD22  LEU  21          2HD2      LEU  21   0.067   4.936  -0.171
  158   HD23  LEU  21          3HD2      LEU  21   1.467   5.983   0.057
  159    H    VAL  22           H        VAL  22   2.225   1.441  -3.284
  160    HA   VAL  22           HA       VAL  22   0.058  -0.177  -4.383
  161    HB   VAL  22           HB       VAL  22   1.693  -1.927  -5.061
  162   HG11  VAL  22          1HG1      VAL  22   0.885  -0.407  -6.771
  163   HG12  VAL  22          2HG1      VAL  22   2.563  -0.849  -7.085
  164   HG13  VAL  22          3HG1      VAL  22   2.180   0.729  -6.398
  165   HG21  VAL  22          1HG2      VAL  22   3.535  -1.347  -3.580
  166   HG22  VAL  22          2HG2      VAL  22   3.781   0.166  -4.453
  167   HG23  VAL  22          3HG2      VAL  22   4.087  -1.375  -5.256
  168    H    CYS  23           H        CYS  23  -0.058  -2.310  -3.299
  169    HA   CYS  23           HA       CYS  23   0.556  -1.978  -0.500
  170    HB2  CYS  23          2HB       CYS  23  -1.672  -2.741  -1.053
  171    HB3  CYS  23          1HB       CYS  23  -1.020  -4.071  -2.001
  172    H    SER  24           H        SER  24   2.570  -2.542   0.093
  173    HA   SER  24           HA       SER  24   3.958  -4.666  -1.194
  174    HB2  SER  24          2HB       SER  24   5.196  -2.828  -0.122
  175    HB3  SER  24          1HB       SER  24   4.470  -3.232   1.431
  176    HG   SER  24           HG       SER  24   6.243  -4.868  -0.099
  177    H    ARG  25           H        ARG  25   3.569  -6.740  -0.800
  178    HA   ARG  25           HA       ARG  25   1.910  -7.462   1.442
  179    HB2  ARG  25          2HB       ARG  25   1.949  -9.730   0.533
  180    HB3  ARG  25          1HB       ARG  25   1.568  -8.575  -0.730
  181    HG2  ARG  25          2HG       ARG  25   3.908  -8.715  -1.512
  182    HG3  ARG  25          1HG       ARG  25   4.213  -9.938  -0.280
  183    HD2  ARG  25          2HD       ARG  25   2.206 -10.127  -2.514
  184    HD3  ARG  25          1HD       ARG  25   3.760 -10.951  -2.461
  185    HE   ARG  25           HE       ARG  25   2.229 -11.585  -0.171
  186   HH11  ARG  25          1HH1      ARG  25   2.455 -12.324  -3.639
  187   HH12  ARG  25          2HH1      ARG  25   1.698 -13.831  -3.519
  188   HH21  ARG  25          1HH2      ARG  25   1.179 -13.713   0.001
  189   HH22  ARG  25          2HH2      ARG  25   0.935 -14.616  -1.406
  190    H    LEU  26           H        LEU  26   5.183  -7.244   0.652
  191    HA   LEU  26           HA       LEU  26   6.218  -9.084   2.579
  192    HB2  LEU  26          2HB       LEU  26   7.457  -8.550   0.563
  193    HB3  LEU  26          1HB       LEU  26   7.495  -6.859   1.002
  194    HG   LEU  26           HG       LEU  26   8.942  -7.412   2.929
  195   HD11  LEU  26          1HD1      LEU  26   9.983  -9.604   3.061
  196   HD12  LEU  26          2HD1      LEU  26   8.954 -10.181   1.752
  197   HD13  LEU  26          3HD1      LEU  26   8.239  -9.706   3.295
  198   HD21  LEU  26          1HD2      LEU  26   9.930  -8.358   0.253
  199   HD22  LEU  26          2HD2      LEU  26  10.945  -7.903   1.618
  200   HD23  LEU  26          3HD2      LEU  26   9.923  -6.695   0.838
  201    H    HIS  27           H        HIS  27   6.050  -5.531   2.347
  202    HA   HIS  27           HA       HIS  27   6.909  -5.298   5.099
  203    HB2  HIS  27          2HB       HIS  27   6.145  -3.201   3.054
  204    HB3  HIS  27          1HB       HIS  27   6.629  -2.817   4.701
  205    HD1  HIS  27          1HD       HIS  27   9.127  -2.366   4.983
  206    HD2  HIS  27          2HD       HIS  27   8.266  -4.645   1.605
  207    HE1  HIS  27          1HE       HIS  27  11.294  -2.663   3.784
  208    H    ARG  28           H        ARG  28   4.018  -5.458   3.348
  209    HA   ARG  28           HA       ARG  28   1.919  -5.765   3.898
  210    HB2  ARG  28          2HB       ARG  28   2.981  -6.847   5.995
  211    HB3  ARG  28          1HB       ARG  28   2.508  -5.371   6.825
  212    HG2  ARG  28          2HG       ARG  28   0.190  -5.768   6.168
  213    HG3  ARG  28          1HG       ARG  28   0.695  -7.270   5.396
  214    HD2  ARG  28          2HD       ARG  28   1.591  -8.009   7.602
  215    HD3  ARG  28          1HD       ARG  28   0.824  -6.593   8.325
  216    HE   ARG  28           HE       ARG  28  -0.711  -8.557   6.795
  217   HH11  ARG  28          1HH1      ARG  28  -0.373  -6.600   9.721
  218   HH12  ARG  28          2HH1      ARG  28  -1.670  -7.340  10.526
  219   HH21  ARG  28          1HH2      ARG  28  -2.513  -9.569   7.938
  220   HH22  ARG  28          2HH2      ARG  28  -2.887  -9.047   9.513
  221    H    TRP  29           H        TRP  29   3.179  -3.080   3.537
  222    HA   TRP  29           HA       TRP  29   0.838  -1.622   4.397
  223    HB2  TRP  29          2HB       TRP  29   2.125   0.349   5.100
  224    HB3  TRP  29          1HB       TRP  29   2.437  -1.063   6.091
  225    HD1  TRP  29           HD       TRP  29   4.190   0.505   2.951
  226    HE1  TRP  29          1HE       TRP  29   6.738   0.532   3.411
  227    HE3  TRP  29          3HE       TRP  29   4.219  -1.584   7.612
  228    HZ2  TRP  29          2HZ       TRP  29   8.487  -0.188   5.458
  229    HZ3  TRP  29          3HZ       TRP  29   6.375  -1.874   8.758
  230    HH2  TRP  29           HH       TRP  29   8.468  -1.189   7.700
  231    H    CYS  30           H        CYS  30   0.626   0.462   3.375
  232    HA   CYS  30           HA       CYS  30   0.931   0.291   0.551
  233    HB2  CYS  30          2HB       CYS  30  -0.035   2.448   2.403
  234    HB3  CYS  30          1HB       CYS  30  -0.063   2.637   0.662
  235    H    LYS  31           H        LYS  31   2.834   0.599  -0.363
  236    HA   LYS  31           HA       LYS  31   4.590   2.650   0.767
  237    HB2  LYS  31          2HB       LYS  31   6.474   1.428  -0.207
  238    HB3  LYS  31          1HB       LYS  31   5.542   0.389   0.848
  239    HG2  LYS  31          2HG       LYS  31   4.573  -0.740  -1.009
  240    HG3  LYS  31          1HG       LYS  31   5.264   0.427  -2.139
  241    HD2  LYS  31          2HD       LYS  31   7.517  -0.275  -1.466
  242    HD3  LYS  31          1HD       LYS  31   6.816  -1.469  -0.376
  243    HE2  LYS  31          2HE       LYS  31   5.768  -2.596  -2.249
  244    HE3  LYS  31          1HE       LYS  31   6.377  -1.369  -3.354
  245    HZ1  LYS  31          1HZ       LYS  31   7.680  -3.397  -3.360
  246    HZ2  LYS  31          2HZ       LYS  31   8.113  -3.173  -1.746
  247    HZ3  LYS  31          3HZ       LYS  31   8.604  -2.074  -2.917
  248    H    TYR  32           H        TYR  32   5.723   3.969  -0.678
  249    HA   TYR  32           HA       TYR  32   4.143   4.747  -2.994
  250    HB2  TYR  32          2HB       TYR  32   6.592   6.037  -1.743
  251    HB3  TYR  32          1HB       TYR  32   5.573   6.757  -2.978
  252    HD1  TYR  32          1HD       TYR  32   3.512   7.845  -2.381
  253    HD2  TYR  32          2HD       TYR  32   5.730   5.749   0.578
  254    HE1  TYR  32          1HE       TYR  32   2.105   8.826  -0.627
  255    HE2  TYR  32          2HE       TYR  32   4.332   6.713   2.324
  256    HH   TYR  32           HH       TYR  32   2.902   8.801   2.581
  257    H    VAL  33           H        VAL  33   4.820   4.456  -5.084
  258    HA   VAL  33           HA       VAL  33   7.542   3.490  -5.459
  259    HB   VAL  33           HB       VAL  33   6.665   2.076  -7.407
  260   HG11  VAL  33          1HG1      VAL  33   6.025   0.207  -5.941
  261   HG12  VAL  33          2HG1      VAL  33   5.843   1.338  -4.599
  262   HG13  VAL  33          3HG1      VAL  33   7.428   1.081  -5.325
  263   HG21  VAL  33          1HG2      VAL  33   4.322   1.354  -7.285
  264   HG22  VAL  33          2HG2      VAL  33   4.430   3.093  -7.571
  265   HG23  VAL  33          3HG2      VAL  33   4.041   2.488  -5.964
  266    H    PHE  34           H        PHE  34   8.709   4.643  -6.740
  267    HA   PHE  34           HA       PHE  34   7.472   6.135  -8.872
  268    HB2  PHE  34          2HB       PHE  34   8.986   8.125  -8.218
  269    HB3  PHE  34          1HB       PHE  34   7.539   7.866  -7.266
  270    HD1  PHE  34          1HD       PHE  34   7.696   7.063  -4.966
  271    HD2  PHE  34          2HD       PHE  34  11.187   7.862  -7.259
  272    HE1  PHE  34          1HE       PHE  34   9.040   7.070  -2.911
  273    HE2  PHE  34          2HE       PHE  34  12.537   7.866  -5.209
  274    HZ   PHE  34           HZ       PHE  34  11.468   7.468  -3.033
  Start of MODEL   12
    1    H1   ASP   1          1HT       ASP   1  -9.180   9.494   3.498
    2    H2   ASP   1          2HT       ASP   1  -9.377  10.722   2.391
    3    H3   ASP   1          3HT       ASP   1  -9.352  11.090   4.038
    4    HA   ASP   1           HA       ASP   1  -7.256  11.667   2.959
    5    HB2  ASP   1          2HB       ASP   1  -7.055   9.235   4.767
    6    HB3  ASP   1          1HB       ASP   1  -5.702  10.263   4.330
    7    H    CYS   2           H        CYS   2  -5.317  10.826   1.933
    8    HA   CYS   2           HA       CYS   2  -5.944   8.928  -0.124
    9    HB2  CYS   2          2HB       CYS   2  -4.432  10.897  -0.508
   10    HB3  CYS   2          1HB       CYS   2  -3.304  10.211   0.650
   11    H    LEU   3           H        LEU   3  -5.996   6.834   0.343
   12    HA   LEU   3           HA       LEU   3  -4.958   5.679   2.677
   13    HB2  LEU   3          2HB       LEU   3  -5.495   4.406   0.054
   14    HB3  LEU   3          1HB       LEU   3  -5.294   3.525   1.550
   15    HG   LEU   3           HG       LEU   3  -7.609   5.359   0.873
   16   HD11  LEU   3          1HD1      LEU   3  -8.938   3.316   0.917
   17   HD12  LEU   3          2HD1      LEU   3  -7.481   2.370   1.223
   18   HD13  LEU   3          3HD1      LEU   3  -7.670   3.222  -0.308
   19   HD21  LEU   3          1HD2      LEU   3  -7.082   3.704   3.338
   20   HD22  LEU   3          2HD2      LEU   3  -8.573   4.574   2.985
   21   HD23  LEU   3          3HD2      LEU   3  -7.072   5.466   3.236
   22    H    GLY   4           H        GLY   4  -3.007   5.474   3.138
   23    HA2  GLY   4          2HA       GLY   4  -0.988   4.206   1.882
   24    HA3  GLY   4          1HA       GLY   4  -0.953   5.815   1.171
   25    H    ALA   5           H        ALA   5   1.163   5.989   2.085
   26    HA   ALA   5           HA       ALA   5   2.690   6.573   3.570
   27    HB1  ALA   5          1HB       ALA   5   2.142   8.238   5.255
   28    HB2  ALA   5          2HB       ALA   5   0.430   7.837   5.137
   29    HB3  ALA   5          3HB       ALA   5   1.251   8.594   3.772
   30    H    PHE   6           H        PHE   6   2.533   4.150   3.799
   31    HA   PHE   6           HA       PHE   6   3.124   2.418   5.051
   32    HB2  PHE   6          2HB       PHE   6   3.300   4.409   7.315
   33    HB3  PHE   6          1HB       PHE   6   3.911   2.761   7.363
   34    HD1  PHE   6          1HD       PHE   6   5.708   2.114   5.672
   35    HD2  PHE   6          2HD       PHE   6   4.613   6.144   6.489
   36    HE1  PHE   6          1HE       PHE   6   7.842   2.879   4.736
   37    HE2  PHE   6          2HE       PHE   6   6.739   6.917   5.550
   38    HZ   PHE   6           HZ       PHE   6   8.364   5.286   4.668
   39    H    ARG   7           H        ARG   7   0.208   3.402   5.019
   40    HA   ARG   7           HA       ARG   7  -0.963   2.272   7.365
   41    HB2  ARG   7          2HB       ARG   7  -2.101   2.790   4.618
   42    HB3  ARG   7          1HB       ARG   7  -3.036   2.047   5.904
   43    HG2  ARG   7          2HG       ARG   7  -1.813   4.797   5.978
   44    HG3  ARG   7          1HG       ARG   7  -3.507   4.422   5.664
   45    HD2  ARG   7          2HD       ARG   7  -1.990   3.839   8.206
   46    HD3  ARG   7          1HD       ARG   7  -3.190   5.107   7.972
   47    HE   ARG   7           HE       ARG   7  -4.421   2.734   7.312
   48   HH11  ARG   7          1HH1      ARG   7  -2.970   4.175  10.188
   49   HH12  ARG   7          2HH1      ARG   7  -3.924   3.324  11.304
   50   HH21  ARG   7          1HH2      ARG   7  -5.773   1.545   8.829
   51   HH22  ARG   7          2HH2      ARG   7  -5.608   1.801  10.494
   52    H    LYS   8           H        LYS   8  -1.008   0.233   7.926
   53    HA   LYS   8           HA       LYS   8  -0.216  -1.835   6.194
   54    HB2  LYS   8          2HB       LYS   8  -0.934  -3.367   8.045
   55    HB3  LYS   8          1HB       LYS   8   0.186  -2.109   8.534
   56    HG2  LYS   8          2HG       LYS   8  -1.781  -0.818   9.405
   57    HG3  LYS   8          1HG       LYS   8  -2.768  -2.233   9.050
   58    HD2  LYS   8          2HD       LYS   8  -1.423  -3.593  10.521
   59    HD3  LYS   8          1HD       LYS   8  -0.350  -2.234  10.847
   60    HE2  LYS   8          2HE       LYS   8  -2.236  -1.017  11.852
   61    HE3  LYS   8          1HE       LYS   8  -3.279  -2.406  11.549
   62    HZ1  LYS   8          1HZ       LYS   8  -0.869  -2.412  13.287
   63    HZ2  LYS   8          2HZ       LYS   8  -1.898  -3.731  13.004
   64    HZ3  LYS   8          3HZ       LYS   8  -2.471  -2.391  13.811
   65    H    CYS   9           H        CYS   9  -1.262  -2.699   4.655
   66    HA   CYS   9           HA       CYS   9  -4.186  -2.503   4.578
   67    HB2  CYS   9          2HB       CYS   9  -3.778  -2.286   2.081
   68    HB3  CYS   9          1HB       CYS   9  -3.346  -0.901   3.086
   69    H    ILE  10           H        ILE  10  -4.996  -3.946   2.728
   70    HA   ILE  10           HA       ILE  10  -3.986  -6.633   3.132
   71    HB   ILE  10           HB       ILE  10  -6.449  -5.654   1.619
   72   HG12  ILE  10          2HG1      ILE  10  -7.719  -6.812   3.529
   73   HG13  ILE  10          1HG1      ILE  10  -6.203  -6.778   4.409
   74   HG21  ILE  10          1HG2      ILE  10  -5.662  -8.457   2.356
   75   HG22  ILE  10          2HG2      ILE  10  -5.688  -7.746   0.741
   76   HG23  ILE  10          3HG2      ILE  10  -7.197  -7.982   1.625
   77   HD11  ILE  10          1HD1      ILE  10  -7.720  -4.380   3.401
   78   HD12  ILE  10          2HD1      ILE  10  -6.210  -4.338   4.311
   79   HD13  ILE  10          3HD1      ILE  10  -7.678  -4.961   5.064
   80    HA   PRO  11           HA       PRO  11  -2.026  -5.801  -0.923
   81    HB2  PRO  11          2HB       PRO  11  -0.495  -8.228  -0.504
   82    HB3  PRO  11          1HB       PRO  11   0.086  -6.563  -0.510
   83    HG2  PRO  11          2HG       PRO  11   0.038  -8.108   1.736
   84    HG3  PRO  11          1HG       PRO  11  -0.120  -6.345   1.763
   85    HD2  PRO  11          2HD       PRO  11  -2.245  -8.439   1.948
   86    HD3  PRO  11          1HD       PRO  11  -2.053  -6.929   2.879
   87    H    ASP  12           H        ASP  12  -3.893  -8.322   0.180
   88    HA   ASP  12           HA       ASP  12  -3.912  -9.946  -2.197
   89    HB2  ASP  12          2HB       ASP  12  -5.769  -9.789   0.174
   90    HB3  ASP  12          1HB       ASP  12  -6.067 -10.870  -1.170
   91    H    ASN  13           H        ASN  13  -5.162  -7.012  -1.332
   92    HA   ASN  13           HA       ASN  13  -6.311  -6.517  -3.847
   93    HB2  ASN  13          2HB       ASN  13  -8.302  -7.595  -2.828
   94    HB3  ASN  13          1HB       ASN  13  -8.153  -6.535  -1.430
   95   HD21  ASN  13          1HD2      ASN  13 -10.227  -5.755  -1.771
   96   HD22  ASN  13          2HD2      ASN  13 -10.595  -4.627  -3.037
   97    H    ASP  14           H        ASP  14  -4.752  -5.011  -3.843
   98    HA   ASP  14           HA       ASP  14  -3.810  -3.404  -1.819
   99    HB2  ASP  14          2HB       ASP  14  -4.060  -2.737  -4.742
  100    HB3  ASP  14          1HB       ASP  14  -3.136  -1.774  -3.590
  101    H    LYS  15           H        LYS  15  -4.857  -2.087  -0.566
  102    HA   LYS  15           HA       LYS  15  -6.804  -0.262  -1.755
  103    HB2  LYS  15          2HB       LYS  15  -6.741  -1.432   1.038
  104    HB3  LYS  15          1HB       LYS  15  -7.806  -0.121   0.549
  105    HG2  LYS  15          2HG       LYS  15  -8.936  -1.551  -1.017
  106    HG3  LYS  15          1HG       LYS  15  -7.789  -2.857  -0.711
  107    HD2  LYS  15          2HD       LYS  15  -8.564  -3.058   1.562
  108    HD3  LYS  15          1HD       LYS  15  -9.611  -1.655   1.368
  109    HE2  LYS  15          2HE       LYS  15  -9.854  -4.231  -0.176
  110    HE3  LYS  15          1HE       LYS  15 -10.830  -3.803   1.225
  111    HZ1  LYS  15          1HZ       LYS  15 -12.014  -3.339  -0.810
  112    HZ2  LYS  15          2HZ       LYS  15 -10.770  -2.370  -1.378
  113    HZ3  LYS  15          3HZ       LYS  15 -11.667  -1.882  -0.039
  114    H    CYS  16           H        CYS  16  -5.277   1.172  -2.266
  115    HA   CYS  16           HA       CYS  16  -4.298   2.929  -0.237
  116    HB2  CYS  16          2HB       CYS  16  -2.398   1.665  -2.263
  117    HB3  CYS  16          1HB       CYS  16  -1.981   2.837  -1.025
  118    H    CYS  17           H        CYS  17  -3.276   4.855  -1.710
  119    HA   CYS  17           HA       CYS  17  -5.030   5.322  -3.873
  120    HB2  CYS  17          2HB       CYS  17  -2.472   6.754  -3.121
  121    HB3  CYS  17          1HB       CYS  17  -3.627   7.332  -4.316
  122    H    ARG  18           H        ARG  18  -4.804   3.537  -5.135
  123    HA   ARG  18           HA       ARG  18  -2.337   2.620  -6.239
  124    HB2  ARG  18          2HB       ARG  18  -4.359   1.197  -5.756
  125    HB3  ARG  18          1HB       ARG  18  -5.163   1.975  -7.108
  126    HG2  ARG  18          2HG       ARG  18  -3.301   1.122  -8.563
  127    HG3  ARG  18          1HG       ARG  18  -2.769   0.165  -7.183
  128    HD2  ARG  18          2HD       ARG  18  -5.451   0.004  -8.560
  129    HD3  ARG  18          1HD       ARG  18  -4.133  -1.156  -8.675
  130    HE   ARG  18           HE       ARG  18  -5.113  -0.725  -6.010
  131   HH11  ARG  18          1HH1      ARG  18  -5.487  -2.624  -8.987
  132   HH12  ARG  18          2HH1      ARG  18  -6.257  -3.939  -8.237
  133   HH21  ARG  18          1HH2      ARG  18  -6.259  -2.545  -4.966
  134   HH22  ARG  18          2HH2      ARG  18  -6.730  -3.865  -5.933
  135    HA   PRO  19           HA       PRO  19  -1.274   1.965  -7.747
  136    HB2  PRO  19          2HB       PRO  19   0.189   2.007  -9.956
  137    HB3  PRO  19          1HB       PRO  19  -1.451   1.347  -9.976
  138    HG2  PRO  19          2HG       PRO  19  -0.432   3.850 -11.144
  139    HG3  PRO  19          1HG       PRO  19  -1.892   2.935 -11.559
  140    HD2  PRO  19          2HD       PRO  19  -1.608   5.257  -9.819
  141    HD3  PRO  19          1HD       PRO  19  -3.096   4.471 -10.381
  142    H    ASN  20           H        ASN  20  -1.035   5.021  -7.309
  143    HA   ASN  20           HA       ASN  20   1.777   5.560  -7.639
  144    HB2  ASN  20          2HB       ASN  20  -0.363   7.069  -6.096
  145    HB3  ASN  20          1HB       ASN  20   1.293   7.625  -6.274
  146   HD21  ASN  20          1HD2      ASN  20   0.623   9.503  -7.304
  147   HD22  ASN  20          2HD2      ASN  20   0.063   9.523  -8.930
  148    H    LEU  21           H        LEU  21  -0.387   4.657  -5.082
  149    HA   LEU  21           HA       LEU  21   1.903   3.935  -3.402
  150    HB2  LEU  21          2HB       LEU  21  -0.917   4.569  -2.483
  151    HB3  LEU  21          1HB       LEU  21   0.486   4.285  -1.475
  152    HG   LEU  21           HG       LEU  21   0.027   6.708  -3.219
  153   HD11  LEU  21          1HD1      LEU  21  -0.119   7.926  -1.156
  154   HD12  LEU  21          2HD1      LEU  21   0.219   6.468  -0.243
  155   HD13  LEU  21          3HD1      LEU  21  -1.305   6.612  -1.134
  156   HD21  LEU  21          1HD2      LEU  21   2.083   7.579  -2.223
  157   HD22  LEU  21          2HD2      LEU  21   2.382   6.130  -3.179
  158   HD23  LEU  21          3HD2      LEU  21   2.347   6.034  -1.418
  159    H    VAL  22           H        VAL  22   2.033   1.807  -3.158
  160    HA   VAL  22           HA       VAL  22  -0.330   0.213  -3.866
  161    HB   VAL  22           HB       VAL  22   1.142  -1.532  -4.751
  162   HG11  VAL  22          1HG1      VAL  22   1.535   1.165  -6.036
  163   HG12  VAL  22          2HG1      VAL  22   0.193   0.053  -6.312
  164   HG13  VAL  22          3HG1      VAL  22   1.825  -0.386  -6.823
  165   HG21  VAL  22          1HG2      VAL  22   3.163  -1.073  -3.489
  166   HG22  VAL  22          2HG2      VAL  22   3.360   0.466  -4.324
  167   HG23  VAL  22          3HG2      VAL  22   3.515  -1.048  -5.218
  168    H    CYS  23           H        CYS  23  -0.331  -1.991  -2.927
  169    HA   CYS  23           HA       CYS  23   0.578  -1.726  -0.185
  170    HB2  CYS  23          2HB       CYS  23  -1.860  -2.114  -0.749
  171    HB3  CYS  23          1HB       CYS  23  -1.390  -3.691  -1.366
  172    H    SER  24           H        SER  24   2.429  -2.646   0.181
  173    HA   SER  24           HA       SER  24   3.636  -4.592  -1.519
  174    HB2  SER  24          2HB       SER  24   4.971  -2.977  -0.280
  175    HB3  SER  24          1HB       SER  24   4.367  -3.605   1.246
  176    HG   SER  24           HG       SER  24   6.101  -4.875  -0.619
  177    H    ARG  25           H        ARG  25   3.829  -6.788  -1.213
  178    HA   ARG  25           HA       ARG  25   1.965  -8.021   0.614
  179    HB2  ARG  25          2HB       ARG  25   4.071  -9.251  -1.182
  180    HB3  ARG  25          1HB       ARG  25   2.874 -10.146  -0.272
  181    HG2  ARG  25          2HG       ARG  25   1.102  -9.181  -1.609
  182    HG3  ARG  25          1HG       ARG  25   2.281  -8.204  -2.493
  183    HD2  ARG  25          2HD       ARG  25   3.368 -10.185  -3.309
  184    HD3  ARG  25          1HD       ARG  25   2.286 -11.215  -2.368
  185    HE   ARG  25           HE       ARG  25   0.627  -9.776  -3.920
  186   HH11  ARG  25          1HH1      ARG  25   3.474 -11.748  -4.686
  187   HH12  ARG  25          2HH1      ARG  25   2.880 -12.266  -6.191
  188   HH21  ARG  25          1HH2      ARG  25  -0.185 -10.487  -5.992
  189   HH22  ARG  25          2HH2      ARG  25   0.740 -11.544  -6.956
  190    H    LEU  26           H        LEU  26   5.384  -7.603   0.180
  191    HA   LEU  26           HA       LEU  26   6.344  -9.268   2.219
  192    HB2  LEU  26          2HB       LEU  26   7.711  -8.417   0.362
  193    HB3  LEU  26          1HB       LEU  26   7.579  -6.796   1.004
  194    HG   LEU  26           HG       LEU  26   8.833  -7.536   3.021
  195   HD11  LEU  26          1HD1      LEU  26  10.059  -9.653   2.914
  196   HD12  LEU  26          2HD1      LEU  26   9.149 -10.094   1.469
  197   HD13  LEU  26          3HD1      LEU  26   8.318  -9.871   3.010
  198   HD21  LEU  26          1HD2      LEU  26  11.020  -7.695   1.904
  199   HD22  LEU  26          2HD2      LEU  26  10.002  -6.430   1.228
  200   HD23  LEU  26          3HD2      LEU  26  10.199  -7.958   0.364
  201    H    HIS  27           H        HIS  27   5.820  -5.772   2.140
  202    HA   HIS  27           HA       HIS  27   6.392  -5.608   4.987
  203    HB2  HIS  27          2HB       HIS  27   5.655  -3.416   3.044
  204    HB3  HIS  27          1HB       HIS  27   6.197  -3.186   4.699
  205    HD1  HIS  27          1HD       HIS  27   8.791  -3.478   5.146
  206    HD2  HIS  27          2HD       HIS  27   7.584  -4.055   1.212
  207    HE1  HIS  27          1HE       HIS  27  10.886  -3.468   3.778
  208    H    ARG  28           H        ARG  28   3.680  -5.831   2.917
  209    HA   ARG  28           HA       ARG  28   1.522  -5.742   3.120
  210    HB2  ARG  28          2HB       ARG  28   2.071  -7.515   4.797
  211    HB3  ARG  28          1HB       ARG  28   2.017  -6.296   6.061
  212    HG2  ARG  28          2HG       ARG  28  -0.311  -5.863   5.539
  213    HG3  ARG  28          1HG       ARG  28  -0.242  -7.083   4.266
  214    HD2  ARG  28          2HD       ARG  28   0.334  -7.664   7.164
  215    HD3  ARG  28          1HD       ARG  28  -1.256  -7.884   6.437
  216    HE   ARG  28           HE       ARG  28   0.176  -9.350   4.810
  217   HH11  ARG  28          1HH1      ARG  28   0.447  -9.168   8.331
  218   HH12  ARG  28          2HH1      ARG  28   0.880 -10.799   8.519
  219   HH21  ARG  28          1HH2      ARG  28   0.719 -11.578   5.070
  220   HH22  ARG  28          2HH2      ARG  28   1.040 -12.214   6.619
  221    H    TRP  29           H        TRP  29   2.719  -3.255   3.100
  222    HA   TRP  29           HA       TRP  29   0.532  -1.779   4.201
  223    HB2  TRP  29          2HB       TRP  29   1.832   0.001   5.245
  224    HB3  TRP  29          1HB       TRP  29   2.235  -1.523   5.999
  225    HD1  TRP  29           HD       TRP  29   3.787   0.663   3.142
  226    HE1  TRP  29          1HE       TRP  29   6.336   0.718   3.497
  227    HE3  TRP  29          3HE       TRP  29   4.105  -2.313   7.278
  228    HZ2  TRP  29          2HZ       TRP  29   8.216  -0.330   5.283
  229    HZ3  TRP  29          3HZ       TRP  29   6.321  -2.724   8.255
  230    HH2  TRP  29           HH       TRP  29   8.333  -1.746   7.270
  231    H    CYS  30           H        CYS  30   0.456   0.416   3.378
  232    HA   CYS  30           HA       CYS  30   0.824   0.435   0.557
  233    HB2  CYS  30          2HB       CYS  30   0.120   2.662   2.441
  234    HB3  CYS  30          1HB       CYS  30  -0.010   2.751   0.688
  235    H    LYS  31           H        LYS  31   2.748   0.605  -0.248
  236    HA   LYS  31           HA       LYS  31   4.685   2.447   0.948
  237    HB2  LYS  31          2HB       LYS  31   6.426   1.168  -0.171
  238    HB3  LYS  31          1HB       LYS  31   5.450   0.112   0.833
  239    HG2  LYS  31          2HG       LYS  31   4.285  -0.721  -1.123
  240    HG3  LYS  31          1HG       LYS  31   5.172   0.404  -2.151
  241    HD2  LYS  31          2HD       LYS  31   6.473  -1.731  -0.465
  242    HD3  LYS  31          1HD       LYS  31   6.064  -1.939  -2.169
  243    HE2  LYS  31          2HE       LYS  31   7.977   0.099  -1.005
  244    HE3  LYS  31          1HE       LYS  31   8.415  -1.391  -1.828
  245    HZ1  LYS  31          1HZ       LYS  31   7.256  -0.481  -3.829
  246    HZ2  LYS  31          2HZ       LYS  31   8.643   0.294  -3.350
  247    HZ3  LYS  31          3HZ       LYS  31   7.186   1.037  -3.046
  248    H    TYR  32           H        TYR  32   6.212   3.309  -0.780
  249    HA   TYR  32           HA       TYR  32   4.537   4.668  -2.726
  250    HB2  TYR  32          2HB       TYR  32   7.360   5.204  -1.765
  251    HB3  TYR  32          1HB       TYR  32   6.440   6.237  -2.851
  252    HD1  TYR  32          1HD       TYR  32   4.757   7.707  -2.018
  253    HD2  TYR  32          2HD       TYR  32   6.702   5.034   0.657
  254    HE1  TYR  32          1HE       TYR  32   3.771   8.883  -0.148
  255    HE2  TYR  32          2HE       TYR  32   5.710   6.216   2.562
  256    HH   TYR  32           HH       TYR  32   4.775   8.530   3.020
  257    H    VAL  33           H        VAL  33   4.878   4.469  -4.929
  258    HA   VAL  33           HA       VAL  33   7.285   3.089  -5.763
  259    HB   VAL  33           HB       VAL  33   5.937   2.067  -7.713
  260   HG11  VAL  33          1HG1      VAL  33   5.317   0.102  -6.394
  261   HG12  VAL  33          2HG1      VAL  33   5.502   1.051  -4.916
  262   HG13  VAL  33          3HG1      VAL  33   6.899   0.734  -5.941
  263   HG21  VAL  33          1HG2      VAL  33   3.887   3.319  -7.366
  264   HG22  VAL  33          2HG2      VAL  33   3.688   2.575  -5.780
  265   HG23  VAL  33          3HG2      VAL  33   3.586   1.584  -7.241
  266    H    PHE  34           H        PHE  34   8.225   4.898  -6.216
  267    HA   PHE  34           HA       PHE  34   7.357   6.213  -8.661
  268    HB2  PHE  34          2HB       PHE  34   8.469   7.607  -6.204
  269    HB3  PHE  34          1HB       PHE  34   8.179   8.375  -7.752
  270    HD1  PHE  34          1HD       PHE  34   6.711   7.237  -4.656
  271    HD2  PHE  34          2HD       PHE  34   5.859   8.737  -8.533
  272    HE1  PHE  34          1HE       PHE  34   4.415   7.803  -3.934
  273    HE2  PHE  34          2HE       PHE  34   3.571   9.307  -7.811
  274    HZ   PHE  34           HZ       PHE  34   2.861   8.840  -5.506
  Start of MODEL   13
    1    H1   ASP   1          1HT       ASP   1  -3.719  13.765   2.064
    2    H2   ASP   1          2HT       ASP   1  -3.886  14.301   3.655
    3    H3   ASP   1          3HT       ASP   1  -5.249  13.899   2.723
    4    HA   ASP   1           HA       ASP   1  -3.129  12.020   3.482
    5    HB2  ASP   1          2HB       ASP   1  -5.927  12.343   4.576
    6    HB3  ASP   1          1HB       ASP   1  -4.948  10.902   4.821
    7    H    CYS   2           H        CYS   2  -2.925  10.641   1.917
    8    HA   CYS   2           HA       CYS   2  -5.272  10.006   0.273
    9    HB2  CYS   2          2HB       CYS   2  -2.865  10.874  -0.573
   10    HB3  CYS   2          1HB       CYS   2  -2.471   9.172  -0.413
   11    H    LEU   3           H        LEU   3  -5.815   7.763   0.093
   12    HA   LEU   3           HA       LEU   3  -5.341   6.152   2.345
   13    HB2  LEU   3          2HB       LEU   3  -6.173   5.287  -0.398
   14    HB3  LEU   3          1HB       LEU   3  -6.278   4.304   1.034
   15    HG   LEU   3           HG       LEU   3  -7.859   6.835   0.582
   16   HD11  LEU   3          1HD1      LEU   3  -9.773   5.324   0.386
   17   HD12  LEU   3          2HD1      LEU   3  -8.682   3.940   0.502
   18   HD13  LEU   3          3HD1      LEU   3  -8.573   5.033  -0.873
   19   HD21  LEU   3          1HD2      LEU   3  -9.076   6.143   2.585
   20   HD22  LEU   3          2HD2      LEU   3  -7.377   6.441   2.943
   21   HD23  LEU   3          3HD2      LEU   3  -7.973   4.785   2.790
   22    H    GLY   4           H        GLY   4  -3.776   4.980   2.853
   23    HA2  GLY   4          2HA       GLY   4  -2.129   3.262   2.138
   24    HA3  GLY   4          1HA       GLY   4  -1.645   4.419   0.897
   25    H    ALA   5           H        ALA   5   0.182   5.398   1.412
   26    HA   ALA   5           HA       ALA   5   1.815   6.439   2.519
   27    HB1  ALA   5          1HB       ALA   5  -0.401   7.438   4.311
   28    HB2  ALA   5          2HB       ALA   5   0.053   8.145   2.760
   29    HB3  ALA   5          3HB       ALA   5   1.191   8.174   4.107
   30    H    PHE   6           H        PHE   6   2.206   4.048   3.110
   31    HA   PHE   6           HA       PHE   6   3.271   2.649   4.476
   32    HB2  PHE   6          2HB       PHE   6   3.359   4.992   6.385
   33    HB3  PHE   6          1HB       PHE   6   4.130   3.449   6.713
   34    HD1  PHE   6          1HD       PHE   6   6.038   2.716   5.321
   35    HD2  PHE   6          2HD       PHE   6   4.331   6.593   4.928
   36    HE1  PHE   6          1HE       PHE   6   8.061   3.485   4.161
   37    HE2  PHE   6          2HE       PHE   6   6.349   7.361   3.755
   38    HZ   PHE   6           HZ       PHE   6   8.215   5.812   3.369
   39    H    ARG   7           H        ARG   7   0.219   3.327   4.794
   40    HA   ARG   7           HA       ARG   7  -0.164   2.108   7.395
   41    HB2  ARG   7          2HB       ARG   7  -2.208   3.003   5.350
   42    HB3  ARG   7          1HB       ARG   7  -2.609   2.325   6.918
   43    HG2  ARG   7          2HG       ARG   7  -1.197   4.934   6.377
   44    HG3  ARG   7          1HG       ARG   7  -2.829   4.715   7.007
   45    HD2  ARG   7          2HD       ARG   7  -0.253   3.942   8.372
   46    HD3  ARG   7          1HD       ARG   7  -1.293   5.295   8.795
   47    HE   ARG   7           HE       ARG   7  -2.904   3.094   8.950
   48   HH11  ARG   7          1HH1      ARG   7   0.142   4.052  10.506
   49   HH12  ARG   7          2HH1      ARG   7  -0.185   3.203  11.943
   50   HH21  ARG   7          1HH2      ARG   7  -3.312   1.923  10.910
   51   HH22  ARG   7          2HH2      ARG   7  -2.174   1.951  12.172
   52    H    LYS   8           H        LYS   8  -1.258   0.157   7.724
   53    HA   LYS   8           HA       LYS   8  -0.101  -1.878   6.186
   54    HB2  LYS   8          2HB       LYS   8  -2.201  -1.996   8.345
   55    HB3  LYS   8          1HB       LYS   8  -1.676  -3.428   7.489
   56    HG2  LYS   8          2HG       LYS   8  -0.476  -3.338   9.544
   57    HG3  LYS   8          1HG       LYS   8   0.656  -2.976   8.252
   58    HD2  LYS   8          2HD       LYS   8   1.106  -1.486  10.079
   59    HD3  LYS   8          1HD       LYS   8   0.362  -0.544   8.792
   60    HE2  LYS   8          2HE       LYS   8  -0.569   0.084  10.950
   61    HE3  LYS   8          1HE       LYS   8  -1.796  -0.680   9.954
   62    HZ1  LYS   8          1HZ       LYS   8  -1.488  -2.738  11.216
   63    HZ2  LYS   8          2HZ       LYS   8  -1.893  -1.454  12.207
   64    HZ3  LYS   8          3HZ       LYS   8  -0.316  -1.993  12.181
   65    H    CYS   9           H        CYS   9  -0.879  -3.319   4.742
   66    HA   CYS   9           HA       CYS   9  -3.358  -2.444   3.433
   67    HB2  CYS   9          2HB       CYS   9  -2.304  -3.202   1.347
   68    HB3  CYS   9          1HB       CYS   9  -1.429  -1.880   2.119
   69    H    ILE  10           H        ILE  10  -4.326  -4.122   2.059
   70    HA   ILE  10           HA       ILE  10  -4.071  -6.795   3.196
   71    HB   ILE  10           HB       ILE  10  -6.350  -5.567   1.565
   72   HG12  ILE  10          2HG1      ILE  10  -7.745  -6.065   3.646
   73   HG13  ILE  10          1HG1      ILE  10  -6.230  -6.359   4.485
   74   HG21  ILE  10          1HG2      ILE  10  -6.136  -8.336   2.710
   75   HG22  ILE  10          2HG2      ILE  10  -6.106  -7.897   1.002
   76   HG23  ILE  10          3HG2      ILE  10  -7.575  -7.659   1.949
   77   HD11  ILE  10          1HD1      ILE  10  -7.054  -3.749   3.226
   78   HD12  ILE  10          2HD1      ILE  10  -5.575  -4.048   4.136
   79   HD13  ILE  10          3HD1      ILE  10  -7.141  -4.138   4.943
   80    HA   PRO  11           HA       PRO  11  -1.713  -7.121  -0.610
   81    HB2  PRO  11          2HB       PRO  11  -1.132  -9.799  -0.409
   82    HB3  PRO  11          1HB       PRO  11  -0.244  -8.522   0.431
   83    HG2  PRO  11          2HG       PRO  11  -2.419 -10.305   1.440
   84    HG3  PRO  11          1HG       PRO  11  -0.926  -9.792   2.249
   85    HD2  PRO  11          2HD       PRO  11  -3.304  -8.684   2.805
   86    HD3  PRO  11          1HD       PRO  11  -1.807  -7.731   2.826
   87    H    ASP  12           H        ASP  12  -4.487  -9.057   0.121
   88    HA   ASP  12           HA       ASP  12  -4.653 -10.151  -2.576
   89    HB2  ASP  12          2HB       ASP  12  -5.295 -11.592  -0.722
   90    HB3  ASP  12          1HB       ASP  12  -6.504 -10.428  -0.200
   91    H    ASN  13           H        ASN  13  -5.662  -7.321  -1.013
   92    HA   ASN  13           HA       ASN  13  -6.884  -6.310  -3.272
   93    HB2  ASN  13          2HB       ASN  13  -9.234  -5.925  -2.454
   94    HB3  ASN  13          1HB       ASN  13  -8.881  -7.613  -2.758
   95   HD21  ASN  13          1HD2      ASN  13  -8.840  -9.053  -0.986
   96   HD22  ASN  13          2HD2      ASN  13  -9.506  -8.602   0.540
   97    H    ASP  14           H        ASP  14  -5.292  -4.911  -2.863
   98    HA   ASP  14           HA       ASP  14  -5.419  -3.393  -0.441
   99    HB2  ASP  14          2HB       ASP  14  -3.358  -2.301  -1.215
  100    HB3  ASP  14          1HB       ASP  14  -3.250  -4.058  -1.198
  101    H    LYS  15           H        LYS  15  -6.368  -1.623  -0.185
  102    HA   LYS  15           HA       LYS  15  -7.325  -0.203  -2.561
  103    HB2  LYS  15          2HB       LYS  15  -8.633  -0.306   0.167
  104    HB3  LYS  15          1HB       LYS  15  -9.292   0.440  -1.283
  105    HG2  LYS  15          2HG       LYS  15  -9.480  -1.741  -2.346
  106    HG3  LYS  15          1HG       LYS  15  -8.757  -2.508  -0.935
  107    HD2  LYS  15          2HD       LYS  15 -10.672  -1.600   0.412
  108    HD3  LYS  15          1HD       LYS  15 -11.411  -1.089  -1.106
  109    HE2  LYS  15          2HE       LYS  15 -10.683  -3.927  -0.352
  110    HE3  LYS  15          1HE       LYS  15 -12.305  -3.249  -0.369
  111    HZ1  LYS  15          1HZ       LYS  15 -10.536  -3.565  -2.727
  112    HZ2  LYS  15          2HZ       LYS  15 -12.098  -2.944  -2.758
  113    HZ3  LYS  15          3HZ       LYS  15 -11.845  -4.551  -2.335
  114    H    CYS  16           H        CYS  16  -5.540   1.086  -2.665
  115    HA   CYS  16           HA       CYS  16  -5.417   3.227  -0.758
  116    HB2  CYS  16          2HB       CYS  16  -3.015   1.567  -1.665
  117    HB3  CYS  16          1HB       CYS  16  -2.891   3.119  -0.856
  118    H    CYS  17           H        CYS  17  -3.814   4.924  -1.911
  119    HA   CYS  17           HA       CYS  17  -5.072   5.534  -4.361
  120    HB2  CYS  17          2HB       CYS  17  -2.583   6.775  -3.181
  121    HB3  CYS  17          1HB       CYS  17  -3.603   7.473  -4.432
  122    H    ARG  18           H        ARG  18  -4.633   3.691  -5.630
  123    HA   ARG  18           HA       ARG  18  -2.025   2.994  -6.500
  124    HB2  ARG  18          2HB       ARG  18  -4.007   1.475  -6.641
  125    HB3  ARG  18          1HB       ARG  18  -4.692   2.516  -7.876
  126    HG2  ARG  18          2HG       ARG  18  -2.733   2.009  -9.318
  127    HG3  ARG  18          1HG       ARG  18  -2.170   0.884  -8.083
  128    HD2  ARG  18          2HD       ARG  18  -3.327  -0.297  -9.852
  129    HD3  ARG  18          1HD       ARG  18  -4.234  -0.417  -8.343
  130    HE   ARG  18           HE       ARG  18  -5.459   1.625  -9.402
  131   HH11  ARG  18          1HH1      ARG  18  -4.404  -1.308 -11.090
  132   HH12  ARG  18          2HH1      ARG  18  -5.640  -1.259 -12.242
  133   HH21  ARG  18          1HH2      ARG  18  -7.168   1.669 -10.956
  134   HH22  ARG  18          2HH2      ARG  18  -7.267   0.456 -12.159
  135    HA   PRO  19           HA       PRO  19  -0.799   2.557  -7.993
  136    HB2  PRO  19          2HB       PRO  19   1.082   3.039  -9.819
  137    HB3  PRO  19          1HB       PRO  19  -0.509   2.426 -10.281
  138    HG2  PRO  19          2HG       PRO  19   0.658   5.093 -10.696
  139    HG3  PRO  19          1HG       PRO  19  -0.681   4.314 -11.551
  140    HD2  PRO  19          2HD       PRO  19  -0.772   6.222  -9.360
  141    HD3  PRO  19          1HD       PRO  19  -2.122   5.585 -10.322
  142    H    ASN  20           H        ASN  20  -0.590   5.516  -6.886
  143    HA   ASN  20           HA       ASN  20   2.245   5.923  -6.575
  144    HB2  ASN  20          2HB       ASN  20   0.529   7.775  -6.565
  145    HB3  ASN  20          1HB       ASN  20   0.015   7.192  -4.990
  146   HD21  ASN  20          1HD2      ASN  20   2.487   8.809  -6.746
  147   HD22  ASN  20          2HD2      ASN  20   3.399   9.355  -5.379
  148    H    LEU  21           H        LEU  21  -0.366   4.781  -4.556
  149    HA   LEU  21           HA       LEU  21   1.606   3.789  -2.621
  150    HB2  LEU  21          2HB       LEU  21  -1.285   4.561  -2.065
  151    HB3  LEU  21          1HB       LEU  21  -0.046   4.064  -0.919
  152    HG   LEU  21           HG       LEU  21   0.259   6.579  -2.515
  153   HD11  LEU  21          1HD1      LEU  21  -1.767   6.772  -1.154
  154   HD12  LEU  21          2HD1      LEU  21  -0.465   7.765  -0.500
  155   HD13  LEU  21          3HD1      LEU  21  -0.872   6.235   0.261
  156   HD21  LEU  21          1HD2      LEU  21   2.268   5.602  -1.610
  157   HD22  LEU  21          2HD2      LEU  21   1.524   5.503  -0.015
  158   HD23  LEU  21          3HD2      LEU  21   1.848   7.075  -0.743
  159    H    VAL  22           H        VAL  22   1.706   1.682  -2.656
  160    HA   VAL  22           HA       VAL  22  -0.685   0.132  -3.324
  161    HB   VAL  22           HB       VAL  22   0.760   0.482  -5.352
  162   HG11  VAL  22          1HG1      VAL  22   2.939   0.445  -4.386
  163   HG12  VAL  22          2HG1      VAL  22   2.819  -0.837  -5.593
  164   HG13  VAL  22          3HG1      VAL  22   2.728  -1.228  -3.874
  165   HG21  VAL  22          1HG2      VAL  22  -0.800  -1.373  -5.271
  166   HG22  VAL  22          2HG2      VAL  22   0.407  -2.383  -4.474
  167   HG23  VAL  22          3HG2      VAL  22   0.662  -1.843  -6.133
  168    H    CYS  23           H        CYS  23  -0.541  -2.104  -2.605
  169    HA   CYS  23           HA       CYS  23   0.535  -2.260  -0.000
  170    HB2  CYS  23          2HB       CYS  23  -1.517  -3.341  -0.626
  171    HB3  CYS  23          1HB       CYS  23  -0.663  -4.389  -1.755
  172    H    SER  24           H        SER  24   2.631  -2.552   0.419
  173    HA   SER  24           HA       SER  24   4.322  -4.115  -1.255
  174    HB2  SER  24          2HB       SER  24   5.190  -2.297   0.199
  175    HB3  SER  24          1HB       SER  24   4.629  -3.185   1.614
  176    HG   SER  24           HG       SER  24   6.955  -3.358   0.589
  177    H    ARG  25           H        ARG  25   4.005  -6.254  -1.327
  178    HA   ARG  25           HA       ARG  25   2.361  -7.615   0.541
  179    HB2  ARG  25          2HB       ARG  25   4.153  -8.651  -1.644
  180    HB3  ARG  25          1HB       ARG  25   3.317  -9.728  -0.545
  181    HG2  ARG  25          2HG       ARG  25   2.111  -9.562  -2.609
  182    HG3  ARG  25          1HG       ARG  25   1.176  -8.816  -1.322
  183    HD2  ARG  25          2HD       ARG  25   1.806  -6.617  -2.099
  184    HD3  ARG  25          1HD       ARG  25   2.882  -7.324  -3.305
  185    HE   ARG  25           HE       ARG  25   0.467  -8.442  -3.788
  186   HH11  ARG  25          1HH1      ARG  25   1.510  -5.055  -3.597
  187   HH12  ARG  25          2HH1      ARG  25   0.526  -4.552  -4.889
  188   HH21  ARG  25          1HH2      ARG  25  -0.881  -7.733  -5.474
  189   HH22  ARG  25          2HH2      ARG  25  -0.918  -6.102  -5.958
  190    H    LEU  26           H        LEU  26   5.797  -7.318   0.184
  191    HA   LEU  26           HA       LEU  26   6.444  -9.187   2.209
  192    HB2  LEU  26          2HB       LEU  26   8.037  -8.653   0.484
  193    HB3  LEU  26          1HB       LEU  26   8.062  -6.973   0.964
  194    HG   LEU  26           HG       LEU  26   9.076  -7.646   3.126
  195   HD11  LEU  26          1HD1      LEU  26   9.229 -10.374   1.862
  196   HD12  LEU  26          2HD1      LEU  26   8.252  -9.920   3.259
  197   HD13  LEU  26          3HD1      LEU  26  10.008  -9.889   3.365
  198   HD21  LEU  26          1HD2      LEU  26  11.298  -8.133   2.226
  199   HD22  LEU  26          2HD2      LEU  26  10.476  -6.884   1.289
  200   HD23  LEU  26          3HD2      LEU  26  10.576  -8.531   0.667
  201    H    HIS  27           H        HIS  27   6.188  -5.637   2.192
  202    HA   HIS  27           HA       HIS  27   7.027  -5.522   4.955
  203    HB2  HIS  27          2HB       HIS  27   6.183  -3.331   3.052
  204    HB3  HIS  27          1HB       HIS  27   6.659  -3.042   4.716
  205    HD1  HIS  27          1HD       HIS  27   8.893  -1.899   4.496
  206    HD2  HIS  27          2HD       HIS  27   8.569  -5.205   2.007
  207    HE1  HIS  27          1HE       HIS  27  11.134  -2.135   3.362
  208    H    ARG  28           H        ARG  28   4.049  -5.693   3.278
  209    HA   ARG  28           HA       ARG  28   1.962  -5.996   3.960
  210    HB2  ARG  28          2HB       ARG  28   3.150  -5.873   6.715
  211    HB3  ARG  28          1HB       ARG  28   1.416  -5.952   6.484
  212    HG2  ARG  28          2HG       ARG  28   3.408  -7.993   5.500
  213    HG3  ARG  28          1HG       ARG  28   2.420  -8.143   6.953
  214    HD2  ARG  28          2HD       ARG  28   1.476  -8.052   4.082
  215    HD3  ARG  28          1HD       ARG  28   1.349  -9.390   5.219
  216    HE   ARG  28           HE       ARG  28  -0.018  -6.882   5.849
  217   HH11  ARG  28          1HH1      ARG  28  -0.326 -10.325   5.030
  218   HH12  ARG  28          2HH1      ARG  28  -2.016 -10.344   5.247
  219   HH21  ARG  28          1HH2      ARG  28  -2.298  -6.928   6.064
  220   HH22  ARG  28          2HH2      ARG  28  -3.167  -8.376   5.869
  221    H    TRP  29           H        TRP  29   3.261  -3.267   3.604
  222    HA   TRP  29           HA       TRP  29   0.831  -1.905   4.393
  223    HB2  TRP  29          2HB       TRP  29   1.984   0.117   5.167
  224    HB3  TRP  29          1HB       TRP  29   2.385  -1.272   6.154
  225    HD1  TRP  29           HD       TRP  29   4.005   0.695   3.192
  226    HE1  TRP  29          1HE       TRP  29   6.542   0.817   3.625
  227    HE3  TRP  29          3HE       TRP  29   4.227  -2.064   7.488
  228    HZ2  TRP  29          2HZ       TRP  29   8.379  -0.114   5.548
  229    HZ3  TRP  29          3HZ       TRP  29   6.417  -2.392   8.563
  230    HH2  TRP  29           HH       TRP  29   8.444  -1.437   7.609
  231    H    CYS  30           H        CYS  30   0.352   0.016   3.287
  232    HA   CYS  30           HA       CYS  30   0.999  -0.120   0.513
  233    HB2  CYS  30          2HB       CYS  30  -0.718   1.637   2.198
  234    HB3  CYS  30          1HB       CYS  30  -0.409   2.126   0.549
  235    H    LYS  31           H        LYS  31   2.883   0.426  -0.096
  236    HA   LYS  31           HA       LYS  31   4.394   2.530   1.249
  237    HB2  LYS  31          2HB       LYS  31   6.312   1.590   0.023
  238    HB3  LYS  31          1HB       LYS  31   5.469   0.368   0.955
  239    HG2  LYS  31          2HG       LYS  31   4.429  -0.497  -1.023
  240    HG3  LYS  31          1HG       LYS  31   5.090   0.822  -1.990
  241    HD2  LYS  31          2HD       LYS  31   7.337   0.045  -1.581
  242    HD3  LYS  31          1HD       LYS  31   6.736  -1.211  -0.500
  243    HE2  LYS  31          2HE       LYS  31   5.516  -2.217  -2.364
  244    HE3  LYS  31          1HE       LYS  31   6.133  -0.966  -3.442
  245    HZ1  LYS  31          1HZ       LYS  31   8.378  -1.786  -2.996
  246    HZ2  LYS  31          2HZ       LYS  31   7.406  -2.971  -3.659
  247    HZ3  LYS  31          3HZ       LYS  31   7.768  -3.004  -2.016
  248    H    TYR  32           H        TYR  32   5.806   3.840  -0.245
  249    HA   TYR  32           HA       TYR  32   4.187   5.041  -2.349
  250    HB2  TYR  32          2HB       TYR  32   6.729   5.903  -0.952
  251    HB3  TYR  32          1HB       TYR  32   6.076   6.738  -2.350
  252    HD1  TYR  32          1HD       TYR  32   5.234   5.739   1.136
  253    HD2  TYR  32          2HD       TYR  32   4.503   8.420  -2.081
  254    HE1  TYR  32          1HE       TYR  32   3.849   7.115   2.604
  255    HE2  TYR  32          2HE       TYR  32   3.118   9.810  -0.622
  256    HH   TYR  32           HH       TYR  32   1.824   9.591   1.455
  257    H    VAL  33           H        VAL  33   4.566   4.603  -4.416
  258    HA   VAL  33           HA       VAL  33   7.228   3.794  -5.202
  259    HB   VAL  33           HB       VAL  33   6.169   2.205  -6.880
  260   HG11  VAL  33          1HG1      VAL  33   5.912   0.360  -5.290
  261   HG12  VAL  33          2HG1      VAL  33   5.823   1.520  -3.963
  262   HG13  VAL  33          3HG1      VAL  33   7.310   1.362  -4.897
  263   HG21  VAL  33          1HG2      VAL  33   3.887   3.042  -6.754
  264   HG22  VAL  33          2HG2      VAL  33   3.786   2.535  -5.070
  265   HG23  VAL  33          3HG2      VAL  33   3.946   1.326  -6.344
  266    H    PHE  34           H        PHE  34   7.442   3.928  -7.534
  267    HA   PHE  34           HA       PHE  34   5.749   5.938  -8.774
  268    HB2  PHE  34          2HB       PHE  34   7.738   7.122  -7.832
  269    HB3  PHE  34          1HB       PHE  34   8.777   6.046  -8.758
  270    HD1  PHE  34          1HD       PHE  34   9.145   6.388 -11.092
  271    HD2  PHE  34          2HD       PHE  34   6.340   8.784  -8.983
  272    HE1  PHE  34          1HE       PHE  34   9.026   7.916 -13.004
  273    HE2  PHE  34          2HE       PHE  34   6.213  10.320 -10.897
  274    HZ   PHE  34           HZ       PHE  34   7.558   9.886 -12.912
  Start of MODEL   14
    1    H1   ASP   1          1HT       ASP   1  -5.867  14.834   2.170
    2    H2   ASP   1          2HT       ASP   1  -7.081  13.673   1.849
    3    H3   ASP   1          3HT       ASP   1  -6.293  14.425   0.591
    4    HA   ASP   1           HA       ASP   1  -4.260  13.372   1.041
    5    HB2  ASP   1          2HB       ASP   1  -5.753  12.089   3.349
    6    HB3  ASP   1          1HB       ASP   1  -4.213  11.514   2.738
    7    H    CYS   2           H        CYS   2  -4.008  10.815   0.919
    8    HA   CYS   2           HA       CYS   2  -6.293   9.671  -0.459
    9    HB2  CYS   2          2HB       CYS   2  -4.724  10.577  -2.163
   10    HB3  CYS   2          1HB       CYS   2  -3.405   9.696  -1.412
   11    H    LEU   3           H        LEU   3  -6.206   7.303  -0.318
   12    HA   LEU   3           HA       LEU   3  -5.215   6.492   2.203
   13    HB2  LEU   3          2HB       LEU   3  -6.404   4.877  -0.015
   14    HB3  LEU   3          1HB       LEU   3  -6.021   4.237   1.568
   15    HG   LEU   3           HG       LEU   3  -8.057   6.355   0.940
   16   HD11  LEU   3          1HD1      LEU   3  -8.733   4.116   0.261
   17   HD12  LEU   3          2HD1      LEU   3  -9.673   4.664   1.650
   18   HD13  LEU   3          3HD1      LEU   3  -8.363   3.505   1.873
   19   HD21  LEU   3          1HD2      LEU   3  -8.696   6.153   3.315
   20   HD22  LEU   3          2HD2      LEU   3  -7.070   6.790   3.115
   21   HD23  LEU   3          3HD2      LEU   3  -7.304   5.104   3.587
   22    H    GLY   4           H        GLY   4  -3.557   5.427   2.756
   23    HA2  GLY   4          2HA       GLY   4  -1.932   3.645   1.915
   24    HA3  GLY   4          1HA       GLY   4  -1.487   4.902   0.760
   25    H    ALA   5           H        ALA   5   0.603   5.149   1.573
   26    HA   ALA   5           HA       ALA   5   2.200   6.112   2.769
   27    HB1  ALA   5          1HB       ALA   5   0.043   7.614   4.264
   28    HB2  ALA   5          2HB       ALA   5   0.741   8.114   2.724
   29    HB3  ALA   5          3HB       ALA   5   1.752   8.044   4.167
   30    H    PHE   6           H        PHE   6   2.154   3.768   3.480
   31    HA   PHE   6           HA       PHE   6   3.018   2.373   4.987
   32    HB2  PHE   6          2HB       PHE   6   3.073   4.743   6.863
   33    HB3  PHE   6          1HB       PHE   6   3.793   3.177   7.213
   34    HD1  PHE   6          1HD       PHE   6   5.636   2.349   5.669
   35    HD2  PHE   6          2HD       PHE   6   4.259   6.379   5.676
   36    HE1  PHE   6          1HE       PHE   6   7.716   3.067   4.583
   37    HE2  PHE   6          2HE       PHE   6   6.339   7.093   4.587
   38    HZ   PHE   6           HZ       PHE   6   8.067   5.443   4.039
   39    H    ARG   7           H        ARG   7   0.064   3.137   4.896
   40    HA   ARG   7           HA       ARG   7  -0.875   2.208   7.462
   41    HB2  ARG   7          2HB       ARG   7  -2.381   2.567   4.853
   42    HB3  ARG   7          1HB       ARG   7  -3.128   2.158   6.386
   43    HG2  ARG   7          2HG       ARG   7  -1.675   4.722   5.743
   44    HG3  ARG   7          1HG       ARG   7  -3.419   4.513   5.852
   45    HD2  ARG   7          2HD       ARG   7  -1.447   4.147   8.112
   46    HD3  ARG   7          1HD       ARG   7  -2.492   5.540   7.866
   47    HE   ARG   7           HE       ARG   7  -4.210   3.448   7.936
   48   HH11  ARG   7          1HH1      ARG   7  -1.772   4.714  10.188
   49   HH12  ARG   7          2HH1      ARG   7  -2.555   4.092  11.567
   50   HH21  ARG   7          1HH2      ARG   7  -5.249   2.603   9.860
   51   HH22  ARG   7          2HH2      ARG   7  -4.540   2.909  11.382
   52    H    LYS   8           H        LYS   8  -1.278   0.175   8.038
   53    HA   LYS   8           HA       LYS   8  -0.320  -1.940   6.401
   54    HB2  LYS   8          2HB       LYS   8  -1.801  -2.005   9.038
   55    HB3  LYS   8          1HB       LYS   8  -1.060  -3.406   8.276
   56    HG2  LYS   8          2HG       LYS   8   1.133  -2.315   8.422
   57    HG3  LYS   8          1HG       LYS   8   0.381  -0.934   9.219
   58    HD2  LYS   8          2HD       LYS   8  -0.329  -2.394  11.053
   59    HD3  LYS   8          1HD       LYS   8   0.429  -3.771  10.251
   60    HE2  LYS   8          2HE       LYS   8   1.845  -1.289  11.244
   61    HE3  LYS   8          1HE       LYS   8   1.872  -2.870  12.018
   62    HZ1  LYS   8          1HZ       LYS   8   2.969  -3.759  10.025
   63    HZ2  LYS   8          2HZ       LYS   8   3.861  -2.519  10.735
   64    HZ3  LYS   8          3HZ       LYS   8   2.979  -2.203   9.344
   65    H    CYS   9           H        CYS   9  -1.411  -3.458   5.279
   66    HA   CYS   9           HA       CYS   9  -4.301  -3.181   4.968
   67    HB2  CYS   9          2HB       CYS   9  -3.720  -3.025   2.461
   68    HB3  CYS   9          1HB       CYS   9  -3.598  -1.574   3.466
   69    H    ILE  10           H        ILE  10  -5.034  -4.773   3.275
   70    HA   ILE  10           HA       ILE  10  -3.651  -7.304   3.526
   71    HB   ILE  10           HB       ILE  10  -6.274  -6.592   2.146
   72   HG12  ILE  10          2HG1      ILE  10  -5.838  -7.888   4.849
   73   HG13  ILE  10          1HG1      ILE  10  -6.296  -6.208   4.609
   74   HG21  ILE  10          1HG2      ILE  10  -5.115  -9.288   2.865
   75   HG22  ILE  10          2HG2      ILE  10  -5.276  -8.624   1.238
   76   HG23  ILE  10          3HG2      ILE  10  -6.717  -9.011   2.180
   77   HD11  ILE  10          1HD1      ILE  10  -7.915  -8.612   3.808
   78   HD12  ILE  10          2HD1      ILE  10  -8.390  -6.926   3.599
   79   HD13  ILE  10          3HD1      ILE  10  -8.196  -7.595   5.220
   80    HA   PRO  11           HA       PRO  11  -1.625  -5.987  -0.267
   81    HB2  PRO  11          2HB       PRO  11  -0.113  -8.212  -0.628
   82    HB3  PRO  11          1HB       PRO  11   0.299  -6.916   0.507
   83    HG2  PRO  11          2HG       PRO  11  -0.988  -9.565   1.020
   84    HG3  PRO  11          1HG       PRO  11   0.243  -8.718   1.975
   85    HD2  PRO  11          2HD       PRO  11  -2.375  -8.754   2.650
   86    HD3  PRO  11          1HD       PRO  11  -1.317  -7.375   3.013
   87    H    ASP  12           H        ASP  12  -3.757  -8.550   0.027
   88    HA   ASP  12           HA       ASP  12  -3.569  -9.224  -2.812
   89    HB2  ASP  12          2HB       ASP  12  -5.045 -10.583  -0.576
   90    HB3  ASP  12          1HB       ASP  12  -5.307 -10.996  -2.269
   91    H    ASN  13           H        ASN  13  -5.150  -7.026  -1.025
   92    HA   ASN  13           HA       ASN  13  -6.775  -6.203  -3.136
   93    HB2  ASN  13          2HB       ASN  13  -8.259  -8.074  -2.395
   94    HB3  ASN  13          1HB       ASN  13  -8.286  -7.399  -0.776
   95   HD21  ASN  13          1HD2      ASN  13  -9.348  -6.958  -4.071
   96   HD22  ASN  13          2HD2      ASN  13 -10.599  -5.824  -3.710
   97    H    ASP  14           H        ASP  14  -5.315  -4.529  -2.526
   98    HA   ASP  14           HA       ASP  14  -5.896  -3.237   0.000
   99    HB2  ASP  14          2HB       ASP  14  -3.995  -1.860  -0.335
  100    HB3  ASP  14          1HB       ASP  14  -3.549  -3.531  -0.642
  101    H    LYS  15           H        LYS  15  -6.433  -1.154   0.212
  102    HA   LYS  15           HA       LYS  15  -7.444   0.138  -2.172
  103    HB2  LYS  15          2HB       LYS  15  -9.159   1.206  -0.638
  104    HB3  LYS  15          1HB       LYS  15  -9.419  -0.480  -1.041
  105    HG2  LYS  15          2HG       LYS  15  -8.415  -1.097   1.162
  106    HG3  LYS  15          1HG       LYS  15  -8.329   0.621   1.553
  107    HD2  LYS  15          2HD       LYS  15 -10.863  -0.870   0.868
  108    HD3  LYS  15          1HD       LYS  15 -10.323  -0.495   2.504
  109    HE2  LYS  15          2HE       LYS  15 -10.470   1.858   2.057
  110    HE3  LYS  15          1HE       LYS  15 -10.845   1.555   0.367
  111    HZ1  LYS  15          1HZ       LYS  15 -12.572   0.698   2.628
  112    HZ2  LYS  15          2HZ       LYS  15 -12.916   0.592   0.976
  113    HZ3  LYS  15          3HZ       LYS  15 -12.805   2.091   1.721
  114    H    CYS  16           H        CYS  16  -5.569   1.236  -2.475
  115    HA   CYS  16           HA       CYS  16  -5.209   3.559  -0.894
  116    HB2  CYS  16          2HB       CYS  16  -3.050   1.520  -1.574
  117    HB3  CYS  16          1HB       CYS  16  -2.705   3.165  -1.051
  118    H    CYS  17           H        CYS  17  -3.794   5.042  -2.318
  119    HA   CYS  17           HA       CYS  17  -5.015   5.721  -4.616
  120    HB2  CYS  17          2HB       CYS  17  -2.024   5.915  -4.472
  121    HB3  CYS  17          1HB       CYS  17  -3.150   7.041  -5.215
  122    H    ARG  18           H        ARG  18  -2.109   3.650  -4.615
  123    HA   ARG  18           HA       ARG  18  -1.077   2.392  -6.056
  124    HB2  ARG  18          2HB       ARG  18  -2.937   0.921  -5.566
  125    HB3  ARG  18          1HB       ARG  18  -3.874   1.606  -6.888
  126    HG2  ARG  18          2HG       ARG  18  -2.303   0.724  -8.498
  127    HG3  ARG  18          1HG       ARG  18  -1.270   0.133  -7.204
  128    HD2  ARG  18          2HD       ARG  18  -3.032  -1.387  -6.482
  129    HD3  ARG  18          1HD       ARG  18  -4.082  -0.803  -7.776
  130    HE   ARG  18           HE       ARG  18  -1.770  -1.565  -9.002
  131   HH11  ARG  18          1HH1      ARG  18  -4.143  -3.254  -6.996
  132   HH12  ARG  18          2HH1      ARG  18  -3.887  -4.763  -7.750
  133   HH21  ARG  18          1HH2      ARG  18  -1.427  -3.624  -9.991
  134   HH22  ARG  18          2HH2      ARG  18  -2.331  -4.976  -9.498
  135    HA   PRO  19           HA       PRO  19   0.291   1.617  -7.179
  136    HB2  PRO  19          2HB       PRO  19   2.484   2.547  -8.744
  137    HB3  PRO  19          1HB       PRO  19   1.613   1.025  -8.911
  138    HG2  PRO  19          2HG       PRO  19   1.586   3.048 -10.790
  139    HG3  PRO  19          1HG       PRO  19   0.340   1.801 -10.627
  140    HD2  PRO  19          2HD       PRO  19   0.340   4.621  -9.615
  141    HD3  PRO  19          1HD       PRO  19  -0.981   3.695 -10.368
  142    H    ASN  20           H        ASN  20   0.206   4.961  -7.391
  143    HA   ASN  20           HA       ASN  20   2.504   6.057  -6.368
  144    HB2  ASN  20          2HB       ASN  20  -0.285   6.790  -5.440
  145    HB3  ASN  20          1HB       ASN  20   1.142   7.814  -5.365
  146   HD21  ASN  20          1HD2      ASN  20   1.853   8.817  -7.223
  147   HD22  ASN  20          2HD2      ASN  20   0.924   8.842  -8.679
  148    H    LEU  21           H        LEU  21  -0.179   4.832  -4.479
  149    HA   LEU  21           HA       LEU  21   1.672   4.009  -2.350
  150    HB2  LEU  21          2HB       LEU  21  -1.216   4.817  -1.835
  151    HB3  LEU  21          1HB       LEU  21   0.072   4.472  -0.704
  152    HG   LEU  21           HG       LEU  21   0.149   6.936  -2.439
  153   HD11  LEU  21          1HD1      LEU  21  -0.519   6.705   0.492
  154   HD12  LEU  21          2HD1      LEU  21  -1.675   7.071  -0.790
  155   HD13  LEU  21          3HD1      LEU  21  -0.363   8.195  -0.438
  156   HD21  LEU  21          1HD2      LEU  21   1.803   6.018  -0.111
  157   HD22  LEU  21          2HD2      LEU  21   1.935   7.577  -0.923
  158   HD23  LEU  21          3HD2      LEU  21   2.310   6.093  -1.798
  159    H    VAL  22           H        VAL  22   1.584   1.846  -2.333
  160    HA   VAL  22           HA       VAL  22  -0.975   0.556  -2.763
  161    HB   VAL  22           HB       VAL  22   0.058   0.729  -5.033
  162   HG11  VAL  22          1HG1      VAL  22   1.996  -0.628  -5.625
  163   HG12  VAL  22          2HG1      VAL  22   2.228  -1.014  -3.919
  164   HG13  VAL  22          3HG1      VAL  22   2.380   0.653  -4.477
  165   HG21  VAL  22          1HG2      VAL  22  -0.158  -2.085  -3.985
  166   HG22  VAL  22          2HG2      VAL  22  -0.210  -1.627  -5.689
  167   HG23  VAL  22          3HG2      VAL  22  -1.484  -1.092  -4.591
  168    H    CYS  23           H        CYS  23  -1.055  -1.536  -1.950
  169    HA   CYS  23           HA       CYS  23   0.576  -1.872   0.373
  170    HB2  CYS  23          2HB       CYS  23  -1.894  -2.431   0.005
  171    HB3  CYS  23          1HB       CYS  23  -1.305  -3.904  -0.757
  172    H    SER  24           H        SER  24   2.611  -2.444   0.038
  173    HA   SER  24           HA       SER  24   3.514  -4.184  -1.989
  174    HB2  SER  24          2HB       SER  24   4.991  -2.577  -0.862
  175    HB3  SER  24          1HB       SER  24   4.680  -3.378   0.664
  176    HG   SER  24           HG       SER  24   6.098  -4.417  -1.565
  177    H    ARG  25           H        ARG  25   3.564  -6.395  -1.980
  178    HA   ARG  25           HA       ARG  25   2.268  -7.813   0.155
  179    HB2  ARG  25          2HB       ARG  25   2.780  -9.862  -1.137
  180    HB3  ARG  25          1HB       ARG  25   1.990  -8.634  -2.114
  181    HG2  ARG  25          2HG       ARG  25   4.127  -8.019  -3.084
  182    HG3  ARG  25          1HG       ARG  25   4.939  -9.241  -2.098
  183    HD2  ARG  25          2HD       ARG  25   2.774  -9.771  -4.103
  184    HD3  ARG  25          1HD       ARG  25   4.500  -9.941  -4.434
  185    HE   ARG  25           HE       ARG  25   4.185 -11.545  -2.333
  186   HH11  ARG  25          1HH1      ARG  25   2.197 -11.225  -5.250
  187   HH12  ARG  25          2HH1      ARG  25   1.800 -12.872  -5.342
  188   HH21  ARG  25          1HH2      ARG  25   3.679 -13.802  -2.455
  189   HH22  ARG  25          2HH2      ARG  25   2.711 -14.402  -3.724
  190    H    LEU  26           H        LEU  26   5.465  -6.967  -0.632
  191    HA   LEU  26           HA       LEU  26   6.703  -8.947   1.032
  192    HB2  LEU  26          2HB       LEU  26   7.821  -8.040  -0.961
  193    HB3  LEU  26          1HB       LEU  26   7.832  -6.449  -0.231
  194    HG   LEU  26           HG       LEU  26   9.324  -7.319   1.553
  195   HD11  LEU  26          1HD1      LEU  26   9.366  -9.812  -0.142
  196   HD12  LEU  26          2HD1      LEU  26   8.719  -9.668   1.493
  197   HD13  LEU  26          3HD1      LEU  26  10.447  -9.475   1.207
  198   HD21  LEU  26          1HD2      LEU  26  10.323  -7.707  -1.265
  199   HD22  LEU  26          2HD2      LEU  26  11.324  -7.426   0.160
  200   HD23  LEU  26          3HD2      LEU  26  10.222  -6.172  -0.405
  201    H    HIS  27           H        HIS  27   5.943  -5.501   1.257
  202    HA   HIS  27           HA       HIS  27   7.063  -5.399   3.934
  203    HB2  HIS  27          2HB       HIS  27   5.722  -3.210   2.311
  204    HB3  HIS  27          1HB       HIS  27   6.446  -2.985   3.887
  205    HD1  HIS  27          1HD       HIS  27   8.890  -2.303   3.882
  206    HD2  HIS  27          2HD       HIS  27   7.712  -3.986   0.268
  207    HE1  HIS  27          1HE       HIS  27  10.814  -1.966   2.305
  208    H    ARG  28           H        ARG  28   3.917  -5.579   2.450
  209    HA   ARG  28           HA       ARG  28   1.890  -5.969   3.148
  210    HB2  ARG  28          2HB       ARG  28   3.112  -6.485   5.864
  211    HB3  ARG  28          1HB       ARG  28   1.401  -6.691   5.518
  212    HG2  ARG  28          2HG       ARG  28   2.062  -8.319   3.724
  213    HG3  ARG  28          1HG       ARG  28   3.709  -8.218   4.345
  214    HD2  ARG  28          2HD       ARG  28   1.289  -9.036   5.942
  215    HD3  ARG  28          1HD       ARG  28   2.454 -10.152   5.243
  216    HE   ARG  28           HE       ARG  28   4.086  -8.799   6.720
  217   HH11  ARG  28          1HH1      ARG  28   0.729  -9.568   7.638
  218   HH12  ARG  28          2HH1      ARG  28   1.095  -9.778   9.282
  219   HH21  ARG  28          1HH2      ARG  28   4.551  -9.136   9.015
  220   HH22  ARG  28          2HH2      ARG  28   3.271  -9.521  10.079
  221    H    TRP  29           H        TRP  29   3.019  -3.324   3.156
  222    HA   TRP  29           HA       TRP  29   0.681  -2.091   4.299
  223    HB2  TRP  29          2HB       TRP  29   1.938  -0.166   5.222
  224    HB3  TRP  29          1HB       TRP  29   2.316  -1.658   6.059
  225    HD1  TRP  29           HD       TRP  29   3.933   0.491   3.207
  226    HE1  TRP  29          1HE       TRP  29   6.501   0.473   3.591
  227    HE3  TRP  29          3HE       TRP  29   4.148  -2.606   7.243
  228    HZ2  TRP  29          2HZ       TRP  29   8.323  -0.683   5.352
  229    HZ3  TRP  29          3HZ       TRP  29   6.352  -3.120   8.223
  230    HH2  TRP  29           HH       TRP  29   8.389  -2.176   7.291
  231    H    CYS  30           H        CYS  30   0.170  -0.072   3.340
  232    HA   CYS  30           HA       CYS  30   0.853   0.045   0.561
  233    HB2  CYS  30          2HB       CYS  30  -0.740   1.873   2.326
  234    HB3  CYS  30          1HB       CYS  30  -0.472   2.210   0.626
  235    H    LYS  31           H        LYS  31   2.797   0.518   0.098
  236    HA   LYS  31           HA       LYS  31   4.100   2.690   1.540
  237    HB2  LYS  31          2HB       LYS  31   6.187   1.770   0.817
  238    HB3  LYS  31          1HB       LYS  31   5.229   0.482   1.496
  239    HG2  LYS  31          2HG       LYS  31   4.705  -0.338  -0.725
  240    HG3  LYS  31          1HG       LYS  31   5.595   1.005  -1.446
  241    HD2  LYS  31          2HD       LYS  31   6.790  -1.083   0.381
  242    HD3  LYS  31          1HD       LYS  31   6.911  -1.097  -1.373
  243    HE2  LYS  31          2HE       LYS  31   7.973   1.117   0.407
  244    HE3  LYS  31          1HE       LYS  31   8.937  -0.202  -0.210
  245    HZ1  LYS  31          1HZ       LYS  31   7.609   1.922  -1.860
  246    HZ2  LYS  31          2HZ       LYS  31   8.394   0.579  -2.485
  247    HZ3  LYS  31          3HZ       LYS  31   9.254   1.694  -1.609
  248    H    TYR  32           H        TYR  32   5.652   3.921   0.136
  249    HA   TYR  32           HA       TYR  32   4.208   5.045  -2.069
  250    HB2  TYR  32          2HB       TYR  32   6.881   5.693  -0.795
  251    HB3  TYR  32          1HB       TYR  32   6.232   6.558  -2.177
  252    HD1  TYR  32          1HD       TYR  32   4.808   8.365  -1.865
  253    HD2  TYR  32          2HD       TYR  32   5.474   5.699   1.378
  254    HE1  TYR  32          1HE       TYR  32   3.573   9.866  -0.383
  255    HE2  TYR  32          2HE       TYR  32   4.239   7.184   2.864
  256    HH   TYR  32           HH       TYR  32   3.668   9.607   2.969
  257    H    VAL  33           H        VAL  33   4.446   4.391  -4.065
  258    HA   VAL  33           HA       VAL  33   6.955   3.091  -4.780
  259    HB   VAL  33           HB       VAL  33   4.211   2.444  -5.916
  260   HG11  VAL  33          1HG1      VAL  33   5.978   2.256  -7.597
  261   HG12  VAL  33          2HG1      VAL  33   5.355   0.667  -7.154
  262   HG13  VAL  33          3HG1      VAL  33   6.906   1.215  -6.516
  263   HG21  VAL  33          1HG2      VAL  33   6.041   0.817  -4.158
  264   HG22  VAL  33          2HG2      VAL  33   4.539   0.241  -4.879
  265   HG23  VAL  33          3HG2      VAL  33   4.503   1.536  -3.680
  266    H    PHE  34           H        PHE  34   7.964   4.672  -5.621
  267    HA   PHE  34           HA       PHE  34   6.659   6.393  -7.545
  268    HB2  PHE  34          2HB       PHE  34   8.828   7.771  -7.185
  269    HB3  PHE  34          1HB       PHE  34   7.624   7.757  -5.908
  270    HD1  PHE  34          1HD       PHE  34  10.982   6.681  -6.886
  271    HD2  PHE  34          2HD       PHE  34   8.063   6.615  -3.797
  272    HE1  PHE  34          1HE       PHE  34  12.683   5.952  -5.304
  273    HE2  PHE  34          2HE       PHE  34   9.762   5.874  -2.198
  274    HZ   PHE  34           HZ       PHE  34  12.082   5.537  -2.940
  Start of MODEL   15
    1    H1   ASP   1          1HT       ASP   1  -1.454  14.229   2.781
    2    H2   ASP   1          2HT       ASP   1  -3.043  14.212   2.142
    3    H3   ASP   1          3HT       ASP   1  -1.732  14.011   1.130
    4    HA   ASP   1           HA       ASP   1  -1.187  11.928   2.048
    5    HB2  ASP   1          2HB       ASP   1  -2.527  10.872   3.752
    6    HB3  ASP   1          1HB       ASP   1  -2.078  12.456   4.371
    7    H    CYS   2           H        CYS   2  -2.677   9.933   1.721
    8    HA   CYS   2           HA       CYS   2  -5.095  10.321   0.301
    9    HB2  CYS   2          2HB       CYS   2  -3.013  10.593  -1.362
   10    HB3  CYS   2          1HB       CYS   2  -2.899   8.848  -1.179
   11    H    LEU   3           H        LEU   3  -5.556   7.792  -0.434
   12    HA   LEU   3           HA       LEU   3  -5.514   6.288   1.988
   13    HB2  LEU   3          2HB       LEU   3  -5.958   5.236  -0.770
   14    HB3  LEU   3          1HB       LEU   3  -6.513   4.524   0.717
   15    HG   LEU   3           HG       LEU   3  -7.553   7.075  -0.497
   16   HD11  LEU   3          1HD1      LEU   3  -9.618   5.801  -0.818
   17   HD12  LEU   3          2HD1      LEU   3  -8.810   4.353  -0.215
   18   HD13  LEU   3          3HD1      LEU   3  -8.266   5.107  -1.713
   19   HD21  LEU   3          1HD2      LEU   3  -9.233   7.006   1.278
   20   HD22  LEU   3          2HD2      LEU   3  -7.605   7.168   1.940
   21   HD23  LEU   3          3HD2      LEU   3  -8.430   5.609   1.993
   22    H    GLY   4           H        GLY   4  -3.854   5.260   2.693
   23    HA2  GLY   4          2HA       GLY   4  -2.384   3.263   1.804
   24    HA3  GLY   4          1HA       GLY   4  -1.609   4.595   0.952
   25    H    ALA   5           H        ALA   5  -0.640   6.242   2.130
   26    HA   ALA   5           HA       ALA   5   0.751   7.106   3.687
   27    HB1  ALA   5          1HB       ALA   5  -1.362   7.779   4.660
   28    HB2  ALA   5          2HB       ALA   5  -0.175   7.355   5.927
   29    HB3  ALA   5          3HB       ALA   5  -1.458   6.234   5.517
   30    H    PHE   6           H        PHE   6   1.337   4.275   3.122
   31    HA   PHE   6           HA       PHE   6   2.674   2.675   3.846
   32    HB2  PHE   6          2HB       PHE   6   4.554   3.886   4.278
   33    HB3  PHE   6          1HB       PHE   6   3.601   5.196   4.908
   34    HD1  PHE   6          1HD       PHE   6   3.251   5.397   7.304
   35    HD2  PHE   6          2HD       PHE   6   5.784   2.417   5.641
   36    HE1  PHE   6          1HE       PHE   6   4.378   5.121   9.506
   37    HE2  PHE   6          2HE       PHE   6   6.895   2.115   7.793
   38    HZ   PHE   6           HZ       PHE   6   6.197   3.474   9.748
   39    H    ARG   7           H        ARG   7   0.027   2.789   4.800
   40    HA   ARG   7           HA       ARG   7   0.120   1.643   7.509
   41    HB2  ARG   7          2HB       ARG   7  -2.268   2.274   5.758
   42    HB3  ARG   7          1HB       ARG   7  -2.333   1.736   7.423
   43    HG2  ARG   7          2HG       ARG   7  -1.123   4.340   6.506
   44    HG3  ARG   7          1HG       ARG   7  -2.765   4.162   7.113
   45    HD2  ARG   7          2HD       ARG   7  -1.364   5.003   8.867
   46    HD3  ARG   7          1HD       ARG   7  -1.810   3.345   9.259
   47    HE   ARG   7           HE       ARG   7   0.676   3.486   7.905
   48   HH11  ARG   7          1HH1      ARG   7  -0.778   4.113  11.076
   49   HH12  ARG   7          2HH1      ARG   7   0.621   3.689  11.952
   50   HH21  ARG   7          1HH2      ARG   7   2.633   2.957   9.141
   51   HH22  ARG   7          2HH2      ARG   7   2.572   3.070  10.833
   52    H    LYS   8           H        LYS   8  -0.820  -0.413   7.926
   53    HA   LYS   8           HA       LYS   8  -0.006  -2.411   6.155
   54    HB2  LYS   8          2HB       LYS   8  -1.820  -2.562   8.545
   55    HB3  LYS   8          1HB       LYS   8  -1.235  -3.972   7.674
   56    HG2  LYS   8          2HG       LYS   8   1.079  -3.319   8.202
   57    HG3  LYS   8          1HG       LYS   8   0.461  -1.943   9.115
   58    HD2  LYS   8          2HD       LYS   8  -0.166  -4.836   9.709
   59    HD3  LYS   8          1HD       LYS   8   1.055  -3.884  10.546
   60    HE2  LYS   8          2HE       LYS   8  -0.677  -2.336  11.318
   61    HE3  LYS   8          1HE       LYS   8  -1.904  -3.263  10.460
   62    HZ1  LYS   8          1HZ       LYS   8  -1.356  -5.167  11.882
   63    HZ2  LYS   8          2HZ       LYS   8  -1.889  -3.846  12.771
   64    HZ3  LYS   8          3HZ       LYS   8  -0.255  -4.213  12.742
   65    H    CYS   9           H        CYS   9  -0.964  -3.611   4.715
   66    HA   CYS   9           HA       CYS   9  -3.775  -3.073   4.071
   67    HB2  CYS   9          2HB       CYS   9  -3.029  -3.191   1.682
   68    HB3  CYS   9          1HB       CYS   9  -2.486  -1.761   2.557
   69    H    ILE  10           H        ILE  10  -4.766  -4.775   2.870
   70    HA   ILE  10           HA       ILE  10  -3.593  -7.394   3.287
   71    HB   ILE  10           HB       ILE  10  -6.239  -6.609   2.003
   72   HG12  ILE  10          2HG1      ILE  10  -5.709  -7.581   4.825
   73   HG13  ILE  10          1HG1      ILE  10  -6.095  -5.925   4.383
   74   HG21  ILE  10          1HG2      ILE  10  -6.864  -8.971   2.382
   75   HG22  ILE  10          2HG2      ILE  10  -5.248  -9.289   3.013
   76   HG23  ILE  10          3HG2      ILE  10  -5.461  -8.830   1.322
   77   HD11  ILE  10          1HD1      ILE  10  -8.032  -7.082   5.288
   78   HD12  ILE  10          2HD1      ILE  10  -7.897  -8.313   4.030
   79   HD13  ILE  10          3HD1      ILE  10  -8.292  -6.650   3.597
   80    HA   PRO  11           HA       PRO  11  -1.311  -6.801  -0.491
   81    HB2  PRO  11          2HB       PRO  11  -1.484  -9.758  -0.664
   82    HB3  PRO  11          1HB       PRO  11  -0.073  -8.702  -0.756
   83    HG2  PRO  11          2HG       PRO  11  -0.668 -10.114   1.428
   84    HG3  PRO  11          1HG       PRO  11   0.095  -8.509   1.528
   85    HD2  PRO  11          2HD       PRO  11  -2.673  -9.361   2.164
   86    HD3  PRO  11          1HD       PRO  11  -1.717  -8.011   2.810
   87    H    ASP  12           H        ASP  12  -4.168  -8.829  -0.591
   88    HA   ASP  12           HA       ASP  12  -4.308  -8.149  -3.462
   89    HB2  ASP  12          2HB       ASP  12  -5.621 -10.136  -3.920
   90    HB3  ASP  12          1HB       ASP  12  -4.116 -10.568  -3.130
   91    H    ASN  13           H        ASN  13  -5.622  -7.115  -0.720
   92    HA   ASN  13           HA       ASN  13  -8.211  -6.547  -2.016
   93    HB2  ASN  13          2HB       ASN  13  -7.822  -7.303   0.893
   94    HB3  ASN  13          1HB       ASN  13  -9.313  -6.656   0.231
   95   HD21  ASN  13          1HD2      ASN  13  -9.171  -8.170  -2.249
   96   HD22  ASN  13          2HD2      ASN  13  -9.465  -9.812  -1.830
   97    H    ASP  14           H        ASP  14  -5.588  -5.134  -1.473
   98    HA   ASP  14           HA       ASP  14  -6.041  -3.166   0.512
   99    HB2  ASP  14          2HB       ASP  14  -3.944  -2.237  -0.148
  100    HB3  ASP  14          1HB       ASP  14  -3.803  -3.977  -0.299
  101    H    LYS  15           H        LYS  15  -6.676  -1.116   0.361
  102    HA   LYS  15           HA       LYS  15  -7.412  -0.112  -2.271
  103    HB2  LYS  15          2HB       LYS  15  -8.878   0.374   0.336
  104    HB3  LYS  15          1HB       LYS  15  -9.243   1.163  -1.189
  105    HG2  LYS  15          2HG       LYS  15  -9.434  -1.807  -0.696
  106    HG3  LYS  15          1HG       LYS  15 -10.794  -0.683  -0.681
  107    HD2  LYS  15          2HD       LYS  15 -10.428  -0.148  -3.013
  108    HD3  LYS  15          1HD       LYS  15  -8.975  -1.146  -3.048
  109    HE2  LYS  15          2HE       LYS  15 -11.756  -2.155  -2.497
  110    HE3  LYS  15          1HE       LYS  15 -10.935  -2.249  -4.049
  111    HZ1  LYS  15          1HZ       LYS  15 -10.749  -4.321  -2.848
  112    HZ2  LYS  15          2HZ       LYS  15 -10.064  -3.595  -1.526
  113    HZ3  LYS  15          3HZ       LYS  15  -9.223  -3.654  -2.997
  114    H    CYS  16           H        CYS  16  -5.447   0.886  -2.520
  115    HA   CYS  16           HA       CYS  16  -5.098   3.234  -0.863
  116    HB2  CYS  16          2HB       CYS  16  -2.904   1.330  -1.816
  117    HB3  CYS  16          1HB       CYS  16  -2.635   2.883  -1.042
  118    H    CYS  17           H        CYS  17  -3.986   4.934  -2.039
  119    HA   CYS  17           HA       CYS  17  -5.153   5.275  -4.583
  120    HB2  CYS  17          2HB       CYS  17  -2.995   6.921  -3.248
  121    HB3  CYS  17          1HB       CYS  17  -3.978   7.416  -4.623
  122    H    ARG  18           H        ARG  18  -4.476   3.904  -6.068
  123    HA   ARG  18           HA       ARG  18  -1.625   3.580  -6.489
  124    HB2  ARG  18          2HB       ARG  18  -2.531   1.702  -8.098
  125    HB3  ARG  18          1HB       ARG  18  -2.426   1.444  -6.365
  126    HG2  ARG  18          2HG       ARG  18  -4.840   2.090  -6.224
  127    HG3  ARG  18          1HG       ARG  18  -4.874   2.081  -7.993
  128    HD2  ARG  18          2HD       ARG  18  -4.430  -0.195  -8.096
  129    HD3  ARG  18          1HD       ARG  18  -3.865  -0.268  -6.432
  130    HE   ARG  18           HE       ARG  18  -6.667   0.107  -7.248
  131   HH11  ARG  18          1HH1      ARG  18  -4.290  -0.927  -4.837
  132   HH12  ARG  18          2HH1      ARG  18  -5.388  -1.838  -3.927
  133   HH21  ARG  18          1HH2      ARG  18  -8.180  -1.093  -5.964
  134   HH22  ARG  18          2HH2      ARG  18  -7.637  -1.945  -4.568
  135    HA   PRO  19           HA       PRO  19  -0.536   2.408  -8.186
  136    HB2  PRO  19          2HB       PRO  19   1.375   2.862  -9.942
  137    HB3  PRO  19          1HB       PRO  19  -0.195   2.263 -10.503
  138    HG2  PRO  19          2HG       PRO  19   0.871   5.067 -10.532
  139    HG3  PRO  19          1HG       PRO  19   0.053   4.181 -11.829
  140    HD2  PRO  19          2HD       PRO  19  -1.198   5.955 -10.128
  141    HD3  PRO  19          1HD       PRO  19  -2.029   4.635 -10.977
  142    H    ASN  20           H        ASN  20  -0.673   5.306  -7.193
  143    HA   ASN  20           HA       ASN  20   1.979   6.267  -6.865
  144    HB2  ASN  20          2HB       ASN  20  -0.568   6.983  -5.403
  145    HB3  ASN  20          1HB       ASN  20   0.937   7.876  -5.291
  146   HD21  ASN  20          1HD2      ASN  20  -0.051   9.729  -6.037
  147   HD22  ASN  20          2HD2      ASN  20  -0.503   9.941  -7.684
  148    H    LEU  21           H        LEU  21  -0.312   4.594  -4.786
  149    HA   LEU  21           HA       LEU  21   1.851   3.939  -2.909
  150    HB2  LEU  21          2HB       LEU  21  -1.072   4.280  -2.216
  151    HB3  LEU  21          1HB       LEU  21   0.281   4.089  -1.121
  152    HG   LEU  21           HG       LEU  21  -0.254   6.532  -2.813
  153   HD11  LEU  21          1HD1      LEU  21  -1.796   6.267  -0.945
  154   HD12  LEU  21          2HD1      LEU  21  -0.708   7.635  -0.739
  155   HD13  LEU  21          3HD1      LEU  21  -0.420   6.144   0.155
  156   HD21  LEU  21          1HD2      LEU  21   1.570   7.545  -1.560
  157   HD22  LEU  21          2HD2      LEU  21   2.116   6.174  -2.526
  158   HD23  LEU  21          3HD2      LEU  21   1.899   5.993  -0.783
  159    H    VAL  22           H        VAL  22   2.136   1.807  -2.887
  160    HA   VAL  22           HA       VAL  22  -0.130   0.151  -3.743
  161    HB   VAL  22           HB       VAL  22   1.311  -1.386  -4.932
  162   HG11  VAL  22          1HG1      VAL  22   2.049   0.010  -6.816
  163   HG12  VAL  22          2HG1      VAL  22   1.833   1.443  -5.810
  164   HG13  VAL  22          3HG1      VAL  22   0.441   0.455  -6.236
  165   HG21  VAL  22          1HG2      VAL  22   3.344  -1.243  -3.616
  166   HG22  VAL  22          2HG2      VAL  22   3.608   0.412  -4.148
  167   HG23  VAL  22          3HG2      VAL  22   3.728  -0.912  -5.309
  168    H    CYS  23           H        CYS  23  -0.178  -1.987  -2.938
  169    HA   CYS  23           HA       CYS  23   0.683  -2.063  -0.206
  170    HB2  CYS  23          2HB       CYS  23  -1.569  -2.825  -0.941
  171    HB3  CYS  23          1HB       CYS  23  -0.800  -4.124  -1.841
  172    H    SER  24           H        SER  24   2.841  -2.415  -0.040
  173    HA   SER  24           HA       SER  24   4.153  -4.356  -1.635
  174    HB2  SER  24          2HB       SER  24   4.857  -2.639   0.689
  175    HB3  SER  24          1HB       SER  24   6.051  -3.686  -0.030
  176    HG   SER  24           HG       SER  24   5.220  -2.626  -2.074
  177    H    ARG  25           H        ARG  25   3.612  -6.413  -1.283
  178    HA   ARG  25           HA       ARG  25   2.374  -7.581   0.810
  179    HB2  ARG  25          2HB       ARG  25   2.671  -8.436  -1.468
  180    HB3  ARG  25          1HB       ARG  25   4.339  -8.816  -1.084
  181    HG2  ARG  25          2HG       ARG  25   3.533 -10.323   0.661
  182    HG3  ARG  25          1HG       ARG  25   1.879  -9.956   0.132
  183    HD2  ARG  25          2HD       ARG  25   4.054 -11.221  -1.544
  184    HD3  ARG  25          1HD       ARG  25   2.631 -12.041  -0.903
  185    HE   ARG  25           HE       ARG  25   1.666  -9.939  -2.391
  186   HH11  ARG  25          1HH1      ARG  25   3.613 -12.804  -3.047
  187   HH12  ARG  25          2HH1      ARG  25   3.120 -12.922  -4.675
  188   HH21  ARG  25          1HH2      ARG  25   1.020 -10.104  -4.604
  189   HH22  ARG  25          2HH2      ARG  25   1.634 -11.346  -5.592
  190    H    LEU  26           H        LEU  26   5.895  -7.329   0.309
  191    HA   LEU  26           HA       LEU  26   6.590  -9.049   2.456
  192    HB2  LEU  26          2HB       LEU  26   8.133  -8.516   0.597
  193    HB3  LEU  26          1HB       LEU  26   8.250  -6.872   1.182
  194    HG   LEU  26           HG       LEU  26   9.279  -7.726   3.277
  195   HD11  LEU  26          1HD1      LEU  26   9.260 -10.374   1.839
  196   HD12  LEU  26          2HD1      LEU  26   8.371  -9.971   3.309
  197   HD13  LEU  26          3HD1      LEU  26  10.132 -10.023   3.331
  198   HD21  LEU  26          1HD2      LEU  26  10.677  -8.514   0.724
  199   HD22  LEU  26          2HD2      LEU  26  11.453  -8.262   2.286
  200   HD23  LEU  26          3HD2      LEU  26  10.674  -6.911   1.462
  201    H    HIS  27           H        HIS  27   5.977  -5.672   2.227
  202    HA   HIS  27           HA       HIS  27   6.912  -5.119   4.931
  203    HB2  HIS  27          2HB       HIS  27   5.634  -3.358   2.821
  204    HB3  HIS  27          1HB       HIS  27   6.152  -2.785   4.398
  205    HD1  HIS  27          1HD       HIS  27   8.414  -1.726   4.355
  206    HD2  HIS  27          2HD       HIS  27   7.980  -4.547   1.336
  207    HE1  HIS  27          1HE       HIS  27  10.552  -1.657   3.031
  208    H    ARG  28           H        ARG  28   4.064  -5.574   3.100
  209    HA   ARG  28           HA       ARG  28   1.950  -5.919   3.461
  210    HB2  ARG  28          2HB       ARG  28   2.737  -6.225   6.360
  211    HB3  ARG  28          1HB       ARG  28   1.068  -6.341   5.825
  212    HG2  ARG  28          2HG       ARG  28   1.744  -8.169   4.285
  213    HG3  ARG  28          1HG       ARG  28   3.356  -8.106   4.995
  214    HD2  ARG  28          2HD       ARG  28   2.449  -8.677   7.168
  215    HD3  ARG  28          1HD       ARG  28   0.811  -8.634   6.515
  216    HE   ARG  28           HE       ARG  28   2.554 -10.452   5.146
  217   HH11  ARG  28          1HH1      ARG  28   0.214 -10.117   7.768
  218   HH12  ARG  28          2HH1      ARG  28  -0.050 -11.779   7.957
  219   HH21  ARG  28          1HH2      ARG  28   2.221 -12.723   5.385
  220   HH22  ARG  28          2HH2      ARG  28   1.159 -13.333   6.572
  221    H    TRP  29           H        TRP  29   3.186  -3.355   3.397
  222    HA   TRP  29           HA       TRP  29   0.838  -1.953   4.275
  223    HB2  TRP  29          2HB       TRP  29   2.070  -0.028   5.128
  224    HB3  TRP  29          1HB       TRP  29   2.437  -1.470   6.041
  225    HD1  TRP  29           HD       TRP  29   4.191   0.230   2.951
  226    HE1  TRP  29          1HE       TRP  29   6.679   0.501   3.542
  227    HE3  TRP  29          3HE       TRP  29   4.169  -1.856   7.625
  228    HZ2  TRP  29          2HZ       TRP  29   8.411  -0.095   5.692
  229    HZ3  TRP  29          3HZ       TRP  29   6.287  -1.966   8.875
  230    HH2  TRP  29           HH       TRP  29   8.360  -1.103   7.920
  231    H    CYS  30           H        CYS  30   0.382  -0.065   3.198
  232    HA   CYS  30           HA       CYS  30   1.112  -0.124   0.417
  233    HB2  CYS  30          2HB       CYS  30  -0.662   1.600   2.078
  234    HB3  CYS  30          1HB       CYS  30  -0.370   2.022   0.412
  235    H    LYS  31           H        LYS  31   3.080   0.490  -0.004
  236    HA   LYS  31           HA       LYS  31   4.321   2.584   1.569
  237    HB2  LYS  31          2HB       LYS  31   6.380   1.846   0.688
  238    HB3  LYS  31          1HB       LYS  31   5.437   0.399   0.888
  239    HG2  LYS  31          2HG       LYS  31   4.993   0.233  -1.439
  240    HG3  LYS  31          1HG       LYS  31   5.680   1.832  -1.739
  241    HD2  LYS  31          2HD       LYS  31   7.868   1.024  -0.992
  242    HD3  LYS  31          1HD       LYS  31   7.179  -0.576  -0.715
  243    HE2  LYS  31          2HE       LYS  31   6.603  -0.711  -3.107
  244    HE3  LYS  31          1HE       LYS  31   7.359   0.860  -3.362
  245    HZ1  LYS  31          1HZ       LYS  31   8.691  -1.611  -2.433
  246    HZ2  LYS  31          2HZ       LYS  31   9.441  -0.116  -2.520
  247    HZ3  LYS  31          3HZ       LYS  31   8.921  -0.863  -3.930
  248    H    TYR  32           H        TYR  32   5.613   4.200   0.377
  249    HA   TYR  32           HA       TYR  32   4.025   5.454  -1.687
  250    HB2  TYR  32          2HB       TYR  32   6.619   6.308  -0.366
  251    HB3  TYR  32          1HB       TYR  32   5.612   7.312  -1.400
  252    HD1  TYR  32          1HD       TYR  32   3.422   8.091  -0.575
  253    HD2  TYR  32          2HD       TYR  32   6.124   6.023   1.965
  254    HE1  TYR  32          1HE       TYR  32   2.174   8.880   1.368
  255    HE2  TYR  32          2HE       TYR  32   4.893   6.803   3.929
  256    HH   TYR  32           HH       TYR  32   3.406   8.619   4.532
  257    H    VAL  33           H        VAL  33   4.490   5.038  -3.793
  258    HA   VAL  33           HA       VAL  33   6.714   3.339  -4.316
  259    HB   VAL  33           HB       VAL  33   4.838   4.577  -6.349
  260   HG11  VAL  33          1HG1      VAL  33   6.730   2.229  -6.557
  261   HG12  VAL  33          2HG1      VAL  33   6.958   3.797  -7.323
  262   HG13  VAL  33          3HG1      VAL  33   5.618   2.760  -7.818
  263   HG21  VAL  33          1HG2      VAL  33   4.794   1.882  -5.016
  264   HG22  VAL  33          2HG2      VAL  33   3.718   2.406  -6.312
  265   HG23  VAL  33          3HG2      VAL  33   3.649   3.195  -4.733
  266    H    PHE  34           H        PHE  34   8.553   4.245  -4.035
  267    HA   PHE  34           HA       PHE  34   9.278   6.472  -5.773
  268    HB2  PHE  34          2HB       PHE  34  10.587   5.441  -3.236
  269    HB3  PHE  34          1HB       PHE  34  11.317   6.633  -4.295
  270    HD1  PHE  34          1HD       PHE  34  10.074   8.833  -4.608
  271    HD2  PHE  34          2HD       PHE  34   9.183   6.075  -1.503
  272    HE1  PHE  34          1HE       PHE  34   9.019  10.640  -3.312
  273    HE2  PHE  34          2HE       PHE  34   8.122   7.877  -0.207
  274    HZ   PHE  34           HZ       PHE  34   8.040  10.161  -1.114
  Start of MODEL   16
    1    H1   ASP   1          1HT       ASP   1  -0.416  12.110   3.304
    2    H2   ASP   1          2HT       ASP   1  -1.260  13.404   2.664
    3    H3   ASP   1          3HT       ASP   1   0.410  13.242   2.335
    4    HA   ASP   1           HA       ASP   1  -0.851  12.508   0.444
    5    HB2  ASP   1          2HB       ASP   1  -0.146  10.128   0.323
    6    HB3  ASP   1          1HB       ASP   1   1.139  11.160   0.925
    7    H    CYS   2           H        CYS   2  -2.238  10.562  -0.298
    8    HA   CYS   2           HA       CYS   2  -4.701  10.728   1.199
    9    HB2  CYS   2          2HB       CYS   2  -5.582   9.555  -0.852
   10    HB3  CYS   2          1HB       CYS   2  -4.792  11.088  -1.191
   11    H    LEU   3           H        LEU   3  -5.622   8.023   0.221
   12    HA   LEU   3           HA       LEU   3  -4.878   6.455   2.412
   13    HB2  LEU   3          2HB       LEU   3  -5.847   5.489  -0.233
   14    HB3  LEU   3          1HB       LEU   3  -5.867   4.569   1.243
   15    HG   LEU   3           HG       LEU   3  -7.564   7.005   0.678
   16   HD11  LEU   3          1HD1      LEU   3  -8.300   4.995  -0.480
   17   HD12  LEU   3          2HD1      LEU   3  -9.425   5.441   0.801
   18   HD13  LEU   3          3HD1      LEU   3  -8.298   4.107   1.044
   19   HD21  LEU   3          1HD2      LEU   3  -6.911   6.945   3.028
   20   HD22  LEU   3          2HD2      LEU   3  -7.416   5.259   3.131
   21   HD23  LEU   3          3HD2      LEU   3  -8.615   6.519   2.846
   22    H    GLY   4           H        GLY   4  -3.119   5.631   2.802
   23    HA2  GLY   4          2HA       GLY   4  -1.541   3.881   1.451
   24    HA3  GLY   4          1HA       GLY   4  -0.908   5.463   0.997
   25    H    ALA   5           H        ALA   5   0.291   6.635   2.426
   26    HA   ALA   5           HA       ALA   5   1.767   6.929   4.116
   27    HB1  ALA   5          1HB       ALA   5   0.650   7.661   6.100
   28    HB2  ALA   5          2HB       ALA   5  -0.797   6.754   5.653
   29    HB3  ALA   5          3HB       ALA   5  -0.276   8.126   4.671
   30    H    PHE   6           H        PHE   6   1.865   4.144   3.616
   31    HA   PHE   6           HA       PHE   6   2.722   2.247   4.497
   32    HB2  PHE   6          2HB       PHE   6   3.241   3.922   6.965
   33    HB3  PHE   6          1HB       PHE   6   3.936   2.344   6.640
   34    HD1  PHE   6          1HD       PHE   6   5.480   2.133   4.636
   35    HD2  PHE   6          2HD       PHE   6   4.274   5.870   6.255
   36    HE1  PHE   6          1HE       PHE   6   7.410   3.205   3.576
   37    HE2  PHE   6          2HE       PHE   6   6.202   6.956   5.195
   38    HZ   PHE   6           HZ       PHE   6   7.776   5.621   3.853
   39    H    ARG   7           H        ARG   7  -0.157   3.012   4.960
   40    HA   ARG   7           HA       ARG   7  -0.760   1.833   7.501
   41    HB2  ARG   7          2HB       ARG   7  -2.636   2.432   5.195
   42    HB3  ARG   7          1HB       ARG   7  -3.130   1.911   6.789
   43    HG2  ARG   7          2HG       ARG   7  -1.884   4.558   6.038
   44    HG3  ARG   7          1HG       ARG   7  -3.542   4.270   6.550
   45    HD2  ARG   7          2HD       ARG   7  -2.499   5.154   8.452
   46    HD3  ARG   7          1HD       ARG   7  -2.496   3.415   8.746
   47    HE   ARG   7           HE       ARG   7  -0.150   4.471   7.452
   48   HH11  ARG   7          1HH1      ARG   7  -1.558   3.668  10.605
   49   HH12  ARG   7          2HH1      ARG   7  -0.032   3.520  11.365
   50   HH21  ARG   7          1HH2      ARG   7   1.849   4.349   8.505
   51   HH22  ARG   7          2HH2      ARG   7   1.952   3.920  10.149
   52    H    LYS   8           H        LYS   8  -1.386  -0.155   7.896
   53    HA   LYS   8           HA       LYS   8  -0.471  -2.251   6.316
   54    HB2  LYS   8          2HB       LYS   8  -2.530  -2.300   8.521
   55    HB3  LYS   8          1HB       LYS   8  -1.804  -3.738   7.815
   56    HG2  LYS   8          2HG       LYS   8   0.419  -2.931   8.539
   57    HG3  LYS   8          1HG       LYS   8  -0.371  -1.554   9.296
   58    HD2  LYS   8          2HD       LYS   8  -1.562  -2.981  10.814
   59    HD3  LYS   8          1HD       LYS   8  -0.972  -4.421   9.985
   60    HE2  LYS   8          2HE       LYS   8   0.273  -4.015  12.050
   61    HE3  LYS   8          1HE       LYS   8   1.308  -3.884  10.632
   62    HZ1  LYS   8          1HZ       LYS   8   1.749  -2.121  12.204
   63    HZ2  LYS   8          2HZ       LYS   8   0.151  -1.624  12.170
   64    HZ3  LYS   8          3HZ       LYS   8   1.118  -1.454  10.792
   65    H    CYS   9           H        CYS   9  -1.431  -3.708   4.967
   66    HA   CYS   9           HA       CYS   9  -4.071  -2.976   3.922
   67    HB2  CYS   9          2HB       CYS   9  -2.999  -3.237   1.664
   68    HB3  CYS   9          1HB       CYS   9  -2.531  -1.795   2.572
   69    H    ILE  10           H        ILE  10  -4.843  -4.629   2.437
   70    HA   ILE  10           HA       ILE  10  -3.961  -7.325   3.118
   71    HB   ILE  10           HB       ILE  10  -6.381  -6.332   1.557
   72   HG12  ILE  10          2HG1      ILE  10  -6.529  -5.739   3.921
   73   HG13  ILE  10          1HG1      ILE  10  -7.723  -6.968   3.511
   74   HG21  ILE  10          1HG2      ILE  10  -5.736  -8.553   0.830
   75   HG22  ILE  10          2HG2      ILE  10  -7.247  -8.611   1.737
   76   HG23  ILE  10          3HG2      ILE  10  -5.743  -9.119   2.502
   77   HD11  ILE  10          1HD1      ILE  10  -5.115  -7.390   4.956
   78   HD12  ILE  10          2HD1      ILE  10  -6.247  -8.662   4.502
   79   HD13  ILE  10          3HD1      ILE  10  -6.735  -7.421   5.657
   80    HA   PRO  11           HA       PRO  11  -1.400  -6.859  -0.620
   81    HB2  PRO  11          2HB       PRO  11  -1.386  -9.824  -0.240
   82    HB3  PRO  11          1HB       PRO  11  -0.036  -8.731  -0.582
   83    HG2  PRO  11          2HG       PRO  11  -0.390  -9.641   1.875
   84    HG3  PRO  11          1HG       PRO  11   0.052  -7.942   1.613
   85    HD2  PRO  11          2HD       PRO  11  -2.581  -9.132   2.361
   86    HD3  PRO  11          1HD       PRO  11  -1.841  -7.601   2.868
   87    H    ASP  12           H        ASP  12  -3.951  -9.266  -0.297
   88    HA   ASP  12           HA       ASP  12  -4.181  -9.612  -3.169
   89    HB2  ASP  12          2HB       ASP  12  -4.474 -11.538  -1.719
   90    HB3  ASP  12          1HB       ASP  12  -5.800 -10.740  -0.889
   91    H    ASN  13           H        ASN  13  -5.427  -7.371  -0.955
   92    HA   ASN  13           HA       ASN  13  -7.248  -6.323  -2.877
   93    HB2  ASN  13          2HB       ASN  13  -8.676  -8.096  -1.861
   94    HB3  ASN  13          1HB       ASN  13  -8.432  -7.354  -0.291
   95   HD21  ASN  13          1HD2      ASN  13  -9.844  -6.924  -3.430
   96   HD22  ASN  13          2HD2      ASN  13 -10.969  -5.703  -2.974
   97    H    ASP  14           H        ASP  14  -5.532  -4.813  -2.478
   98    HA   ASP  14           HA       ASP  14  -5.751  -3.357  -0.010
   99    HB2  ASP  14          2HB       ASP  14  -3.732  -2.194  -0.636
  100    HB3  ASP  14          1HB       ASP  14  -3.520  -3.936  -0.701
  101    H    LYS  15           H        LYS  15  -6.429  -1.352   0.225
  102    HA   LYS  15           HA       LYS  15  -7.318  -0.018  -2.212
  103    HB2  LYS  15          2HB       LYS  15  -8.717  -0.041   0.462
  104    HB3  LYS  15          1HB       LYS  15  -9.123   1.068  -0.841
  105    HG2  LYS  15          2HG       LYS  15  -9.608  -0.875  -2.282
  106    HG3  LYS  15          1HG       LYS  15  -9.318  -1.932  -0.900
  107    HD2  LYS  15          2HD       LYS  15 -11.143  -0.868   0.309
  108    HD3  LYS  15          1HD       LYS  15 -11.390   0.250  -1.030
  109    HE2  LYS  15          2HE       LYS  15 -13.026  -1.560  -1.089
  110    HE3  LYS  15          1HE       LYS  15 -11.975  -1.595  -2.497
  111    HZ1  LYS  15          1HZ       LYS  15 -10.753  -3.419  -1.558
  112    HZ2  LYS  15          2HZ       LYS  15 -12.394  -3.796  -1.491
  113    HZ3  LYS  15          3HZ       LYS  15 -11.598  -3.302  -0.103
  114    H    CYS  16           H        CYS  16  -5.499   1.113  -2.448
  115    HA   CYS  16           HA       CYS  16  -5.282   3.416  -0.756
  116    HB2  CYS  16          2HB       CYS  16  -2.971   1.552  -1.456
  117    HB3  CYS  16          1HB       CYS  16  -2.734   3.200  -0.875
  118    H    CYS  17           H        CYS  17  -3.697   5.010  -2.054
  119    HA   CYS  17           HA       CYS  17  -5.054   5.386  -4.521
  120    HB2  CYS  17          2HB       CYS  17  -2.634   6.835  -3.468
  121    HB3  CYS  17          1HB       CYS  17  -3.661   7.368  -4.793
  122    H    ARG  18           H        ARG  18  -4.631   3.636  -5.753
  123    HA   ARG  18           HA       ARG  18  -1.993   2.803  -6.475
  124    HB2  ARG  18          2HB       ARG  18  -4.206   1.463  -6.232
  125    HB3  ARG  18          1HB       ARG  18  -4.565   2.048  -7.842
  126    HG2  ARG  18          2HG       ARG  18  -2.627   0.916  -8.724
  127    HG3  ARG  18          1HG       ARG  18  -2.151   0.417  -7.094
  128    HD2  ARG  18          2HD       ARG  18  -4.538  -0.622  -7.019
  129    HD3  ARG  18          1HD       ARG  18  -4.435  -0.511  -8.771
  130    HE   ARG  18           HE       ARG  18  -2.658  -2.011  -8.772
  131   HH11  ARG  18          1HH1      ARG  18  -3.942  -1.441  -5.500
  132   HH12  ARG  18          2HH1      ARG  18  -3.331  -2.833  -4.804
  133   HH21  ARG  18          1HH2      ARG  18  -1.773  -4.048  -7.801
  134   HH22  ARG  18          2HH2      ARG  18  -2.075  -4.377  -6.160
  135    HA   PRO  19           HA       PRO  19  -0.905   2.049  -8.031
  136    HB2  PRO  19          2HB       PRO  19   0.873   2.257 -10.012
  137    HB3  PRO  19          1HB       PRO  19  -0.744   1.607 -10.290
  138    HG2  PRO  19          2HG       PRO  19   0.393   4.188 -11.149
  139    HG3  PRO  19          1HG       PRO  19  -1.001   3.304 -11.785
  140    HD2  PRO  19          2HD       PRO  19  -0.958   5.511  -9.897
  141    HD3  PRO  19          1HD       PRO  19  -2.355   4.734 -10.666
  142    H    ASN  20           H        ASN  20  -0.625   5.112  -7.361
  143    HA   ASN  20           HA       ASN  20   2.209   5.581  -7.200
  144    HB2  ASN  20          2HB       ASN  20  -0.035   6.978  -5.714
  145    HB3  ASN  20          1HB       ASN  20   1.619   7.550  -5.856
  146   HD21  ASN  20          1HD2      ASN  20   2.298   8.450  -7.824
  147   HD22  ASN  20          2HD2      ASN  20   1.163   8.939  -9.018
  148    H    LEU  21           H        LEU  21  -0.340   4.627  -4.995
  149    HA   LEU  21           HA       LEU  21   1.662   3.846  -2.998
  150    HB2  LEU  21          2HB       LEU  21  -1.220   4.614  -2.489
  151    HB3  LEU  21          1HB       LEU  21   0.052   4.358  -1.310
  152    HG   LEU  21           HG       LEU  21  -0.089   6.670  -3.259
  153   HD11  LEU  21          1HD1      LEU  21  -0.477   8.078  -1.385
  154   HD12  LEU  21          2HD1      LEU  21  -0.283   6.746  -0.275
  155   HD13  LEU  21          3HD1      LEU  21  -1.691   6.792  -1.349
  156   HD21  LEU  21          1HD2      LEU  21   1.836   7.540  -2.039
  157   HD22  LEU  21          2HD2      LEU  21   2.183   6.026  -2.874
  158   HD23  LEU  21          3HD2      LEU  21   1.924   6.031  -1.129
  159    H    VAL  22           H        VAL  22   1.689   1.721  -2.785
  160    HA   VAL  22           HA       VAL  22  -0.700   0.156  -3.447
  161    HB   VAL  22           HB       VAL  22   2.072  -0.520  -4.523
  162   HG11  VAL  22          1HG1      VAL  22  -0.581  -1.855  -5.039
  163   HG12  VAL  22          2HG1      VAL  22   0.753  -2.508  -4.089
  164   HG13  VAL  22          3HG1      VAL  22   0.943  -2.265  -5.825
  165   HG21  VAL  22          1HG2      VAL  22   1.155  -0.071  -6.768
  166   HG22  VAL  22          2HG2      VAL  22   1.200   1.374  -5.757
  167   HG23  VAL  22          3HG2      VAL  22  -0.326   0.531  -6.022
  168    H    CYS  23           H        CYS  23  -0.811  -1.775  -2.340
  169    HA   CYS  23           HA       CYS  23   0.506  -1.984   0.137
  170    HB2  CYS  23          2HB       CYS  23  -1.700  -2.915  -0.411
  171    HB3  CYS  23          1HB       CYS  23  -0.924  -4.096  -1.459
  172    H    SER  24           H        SER  24   2.630  -2.443   0.312
  173    HA   SER  24           HA       SER  24   3.929  -4.169  -1.587
  174    HB2  SER  24          2HB       SER  24   5.230  -2.382  -0.560
  175    HB3  SER  24          1HB       SER  24   4.826  -2.971   1.052
  176    HG   SER  24           HG       SER  24   6.295  -4.454  -0.894
  177    H    ARG  25           H        ARG  25   3.813  -6.320  -1.424
  178    HA   ARG  25           HA       ARG  25   2.550  -7.441   0.888
  179    HB2  ARG  25          2HB       ARG  25   2.717  -9.591  -0.263
  180    HB3  ARG  25          1HB       ARG  25   2.055  -8.347  -1.303
  181    HG2  ARG  25          2HG       ARG  25   4.202  -8.134  -2.438
  182    HG3  ARG  25          1HG       ARG  25   4.874  -9.377  -1.374
  183    HD2  ARG  25          2HD       ARG  25   2.580  -9.729  -3.293
  184    HD3  ARG  25          1HD       ARG  25   4.223 -10.336  -3.515
  185    HE   ARG  25           HE       ARG  25   3.545 -11.399  -1.167
  186   HH11  ARG  25          1HH1      ARG  25   1.892 -11.405  -4.272
  187   HH12  ARG  25          2HH1      ARG  25   1.087 -12.885  -4.009
  188   HH21  ARG  25          1HH2      ARG  25   2.418 -13.419  -0.765
  189   HH22  ARG  25          2HH2      ARG  25   1.416 -14.058  -1.981
  190    H    LEU  26           H        LEU  26   5.652  -6.680   0.051
  191    HA   LEU  26           HA       LEU  26   7.116  -8.521   1.684
  192    HB2  LEU  26          2HB       LEU  26   8.038  -7.157  -0.237
  193    HB3  LEU  26          1HB       LEU  26   7.848  -5.729   0.738
  194    HG   LEU  26           HG       LEU  26   9.745  -8.001   1.402
  195   HD11  LEU  26          1HD1      LEU  26  11.498  -6.514   0.549
  196   HD12  LEU  26          2HD1      LEU  26  10.259  -5.376   0.024
  197   HD13  LEU  26          3HD1      LEU  26  10.351  -6.978  -0.706
  198   HD21  LEU  26          1HD2      LEU  26   9.622  -5.159   2.444
  199   HD22  LEU  26          2HD2      LEU  26  10.839  -6.366   2.865
  200   HD23  LEU  26          3HD2      LEU  26   9.158  -6.601   3.348
  201    H    HIS  27           H        HIS  27   6.383  -5.073   2.011
  202    HA   HIS  27           HA       HIS  27   7.106  -5.040   4.794
  203    HB2  HIS  27          2HB       HIS  27   5.789  -2.886   3.131
  204    HB3  HIS  27          1HB       HIS  27   6.490  -2.665   4.723
  205    HD1  HIS  27          1HD       HIS  27   9.147  -2.591   4.837
  206    HD2  HIS  27          2HD       HIS  27   7.553  -2.965   1.019
  207    HE1  HIS  27          1HE       HIS  27  11.013  -2.019   3.234
  208    H    ARG  28           H        ARG  28   4.214  -5.421   2.993
  209    HA   ARG  28           HA       ARG  28   2.138  -5.930   3.446
  210    HB2  ARG  28          2HB       ARG  28   3.013  -6.224   6.327
  211    HB3  ARG  28          1HB       ARG  28   1.442  -6.709   5.700
  212    HG2  ARG  28          2HG       ARG  28   2.605  -8.271   4.157
  213    HG3  ARG  28          1HG       ARG  28   4.123  -7.852   4.952
  214    HD2  ARG  28          2HD       ARG  28   1.706  -9.121   6.232
  215    HD3  ARG  28          1HD       ARG  28   3.235  -9.911   5.860
  216    HE   ARG  28           HE       ARG  28   3.652  -7.681   7.532
  217   HH11  ARG  28          1HH1      ARG  28   2.519 -11.025   7.600
  218   HH12  ARG  28          2HH1      ARG  28   2.803 -11.236   9.264
  219   HH21  ARG  28          1HH2      ARG  28   4.028  -7.975   9.826
  220   HH22  ARG  28          2HH2      ARG  28   3.665  -9.475  10.557
  221    H    TRP  29           H        TRP  29   3.108  -3.262   3.446
  222    HA   TRP  29           HA       TRP  29   0.670  -2.073   4.394
  223    HB2  TRP  29          2HB       TRP  29   1.797  -0.076   5.303
  224    HB3  TRP  29          1HB       TRP  29   2.183  -1.521   6.207
  225    HD1  TRP  29           HD       TRP  29   3.986   0.111   3.124
  226    HE1  TRP  29          1HE       TRP  29   6.487   0.421   3.778
  227    HE3  TRP  29          3HE       TRP  29   3.827  -1.634   7.915
  228    HZ2  TRP  29          2HZ       TRP  29   8.113   0.012   5.990
  229    HZ3  TRP  29          3HZ       TRP  29   5.902  -1.629   9.236
  230    HH2  TRP  29           HH       TRP  29   7.989  -0.820   8.291
  231    H    CYS  30           H        CYS  30   0.217  -0.012   3.396
  232    HA   CYS  30           HA       CYS  30   0.862  -0.020   0.612
  233    HB2  CYS  30          2HB       CYS  30  -0.653   1.900   2.351
  234    HB3  CYS  30          1HB       CYS  30  -0.450   2.167   0.632
  235    H    LYS  31           H        LYS  31   2.760   0.545  -0.049
  236    HA   LYS  31           HA       LYS  31   4.120   2.725   1.340
  237    HB2  LYS  31          2HB       LYS  31   6.210   1.768   0.738
  238    HB3  LYS  31          1HB       LYS  31   5.228   0.442   1.317
  239    HG2  LYS  31          2HG       LYS  31   4.827  -0.332  -0.896
  240    HG3  LYS  31          1HG       LYS  31   5.574   1.112  -1.580
  241    HD2  LYS  31          2HD       LYS  31   7.701   0.452  -0.432
  242    HD3  LYS  31          1HD       LYS  31   6.930  -1.080  -0.025
  243    HE2  LYS  31          2HE       LYS  31   8.280  -1.277  -2.049
  244    HE3  LYS  31          1HE       LYS  31   6.570  -1.544  -2.386
  245    HZ1  LYS  31          1HZ       LYS  31   8.029   1.009  -2.882
  246    HZ2  LYS  31          2HZ       LYS  31   6.413   0.720  -3.229
  247    HZ3  LYS  31          3HZ       LYS  31   7.607  -0.117  -4.051
  248    H    TYR  32           H        TYR  32   5.717   3.804  -0.224
  249    HA   TYR  32           HA       TYR  32   4.104   4.893  -2.372
  250    HB2  TYR  32          2HB       TYR  32   6.790   5.750  -1.254
  251    HB3  TYR  32          1HB       TYR  32   5.794   6.665  -2.378
  252    HD1  TYR  32          1HD       TYR  32   4.055   8.069  -1.578
  253    HD2  TYR  32          2HD       TYR  32   5.981   5.414   1.122
  254    HE1  TYR  32          1HE       TYR  32   2.917   9.147   0.286
  255    HE2  TYR  32          2HE       TYR  32   4.845   6.482   2.995
  256    HH   TYR  32           HH       TYR  32   2.210   8.485   2.627
  257    H    VAL  33           H        VAL  33   5.005   5.060  -4.540
  258    HA   VAL  33           HA       VAL  33   6.808   2.937  -5.199
  259    HB   VAL  33           HB       VAL  33   6.425   3.693  -7.564
  260   HG11  VAL  33          1HG1      VAL  33   5.085   1.926  -6.617
  261   HG12  VAL  33          2HG1      VAL  33   4.108   2.921  -7.698
  262   HG13  VAL  33          3HG1      VAL  33   3.959   3.107  -5.950
  263   HG21  VAL  33          1HG2      VAL  33   4.640   5.297  -8.034
  264   HG22  VAL  33          2HG2      VAL  33   5.940   6.051  -7.104
  265   HG23  VAL  33          3HG2      VAL  33   4.440   5.588  -6.306
  266    H    PHE  34           H        PHE  34   8.264   3.741  -7.082
  267    HA   PHE  34           HA       PHE  34   9.980   5.797  -5.889
  268    HB2  PHE  34          2HB       PHE  34  11.039   3.568  -6.186
  269    HB3  PHE  34          1HB       PHE  34  10.707   3.646  -7.908
  270    HD1  PHE  34          1HD       PHE  34  12.179   4.781  -9.380
  271    HD2  PHE  34          2HD       PHE  34  12.643   5.203  -5.170
  272    HE1  PHE  34          1HE       PHE  34  14.336   5.895  -9.733
  273    HE2  PHE  34          2HE       PHE  34  14.811   6.323  -5.524
  274    HZ   PHE  34           HZ       PHE  34  15.656   6.669  -7.803
  Start of MODEL   17
    1    H1   ASP   1          1HT       ASP   1  -9.576  10.721   2.778
    2    H2   ASP   1          2HT       ASP   1  -9.310  11.409   1.276
    3    H3   ASP   1          3HT       ASP   1  -9.545  12.409   2.630
    4    HA   ASP   1           HA       ASP   1  -7.216  12.283   2.010
    5    HB2  ASP   1          2HB       ASP   1  -7.704  12.624   4.364
    6    HB3  ASP   1          1HB       ASP   1  -8.005  10.914   4.598
    7    H    CYS   2           H        CYS   2  -5.344  10.994   1.734
    8    HA   CYS   2           HA       CYS   2  -5.914   8.632   0.275
    9    HB2  CYS   2          2HB       CYS   2  -4.091  10.166  -0.339
   10    HB3  CYS   2          1HB       CYS   2  -3.249   9.762   1.152
   11    H    LEU   3           H        LEU   3  -5.133   6.520   0.699
   12    HA   LEU   3           HA       LEU   3  -5.242   5.838   3.552
   13    HB2  LEU   3          2HB       LEU   3  -5.338   4.085   1.104
   14    HB3  LEU   3          1HB       LEU   3  -5.443   3.582   2.778
   15    HG   LEU   3           HG       LEU   3  -7.460   5.336   1.367
   16   HD11  LEU   3          1HD1      LEU   3  -7.474   3.088   0.463
   17   HD12  LEU   3          2HD1      LEU   3  -8.911   3.364   1.450
   18   HD13  LEU   3          3HD1      LEU   3  -7.572   2.415   2.090
   19   HD21  LEU   3          1HD2      LEU   3  -8.860   4.905   3.341
   20   HD22  LEU   3          2HD2      LEU   3  -7.377   5.751   3.773
   21   HD23  LEU   3          3HD2      LEU   3  -7.529   4.021   4.089
   22    H    GLY   4           H        GLY   4  -3.055   6.774   1.827
   23    HA2  GLY   4          2HA       GLY   4  -1.095   4.629   1.828
   24    HA3  GLY   4          1HA       GLY   4  -0.895   6.230   1.137
   25    H    ALA   5           H        ALA   5   1.103   6.420   1.932
   26    HA   ALA   5           HA       ALA   5   2.799   6.858   3.260
   27    HB1  ALA   5          1HB       ALA   5   2.464   8.389   5.124
   28    HB2  ALA   5          2HB       ALA   5   0.734   8.035   5.129
   29    HB3  ALA   5          3HB       ALA   5   1.461   8.862   3.754
   30    H    PHE   6           H        PHE   6   2.644   4.407   3.353
   31    HA   PHE   6           HA       PHE   6   3.236   2.541   4.392
   32    HB2  PHE   6          2HB       PHE   6   4.158   4.480   6.510
   33    HB3  PHE   6          1HB       PHE   6   4.563   2.769   6.507
   34    HD1  PHE   6          1HD       PHE   6   5.220   6.032   5.020
   35    HD2  PHE   6          2HD       PHE   6   6.074   1.866   4.784
   36    HE1  PHE   6          1HE       PHE   6   7.156   6.511   3.588
   37    HE2  PHE   6          2HE       PHE   6   8.006   2.342   3.358
   38    HZ   PHE   6           HZ       PHE   6   8.555   4.671   2.754
   39    H    ARG   7           H        ARG   7   0.455   3.446   4.895
   40    HA   ARG   7           HA       ARG   7  -0.048   2.335   7.526
   41    HB2  ARG   7          2HB       ARG   7  -1.992   3.230   5.391
   42    HB3  ARG   7          1HB       ARG   7  -2.456   2.625   6.972
   43    HG2  ARG   7          2HG       ARG   7  -0.957   5.156   6.345
   44    HG3  ARG   7          1HG       ARG   7  -2.586   5.009   7.002
   45    HD2  ARG   7          2HD       ARG   7   0.008   4.266   8.371
   46    HD3  ARG   7          1HD       ARG   7  -1.052   5.610   8.767
   47    HE   ARG   7           HE       ARG   7  -2.582   3.339   8.984
   48   HH11  ARG   7          1HH1      ARG   7   0.269   4.709  10.577
   49   HH12  ARG   7          2HH1      ARG   7   0.011   3.893  12.048
   50   HH21  ARG   7          1HH2      ARG   7  -2.911   2.190  11.028
   51   HH22  ARG   7          2HH2      ARG   7  -1.826   2.436  12.309
   52    H    LYS   8           H        LYS   8  -1.308   0.425   7.892
   53    HA   LYS   8           HA       LYS   8  -0.444  -1.646   6.141
   54    HB2  LYS   8          2HB       LYS   8  -2.222  -1.794   8.567
   55    HB3  LYS   8          1HB       LYS   8  -1.611  -3.172   7.668
   56    HG2  LYS   8          2HG       LYS   8   0.697  -2.434   8.200
   57    HG3  LYS   8          1HG       LYS   8   0.009  -1.157   9.203
   58    HD2  LYS   8          2HD       LYS   8   0.626  -3.026  10.598
   59    HD3  LYS   8          1HD       LYS   8  -1.130  -2.880  10.559
   60    HE2  LYS   8          2HE       LYS   8  -1.258  -4.682   8.907
   61    HE3  LYS   8          1HE       LYS   8   0.501  -4.803   8.892
   62    HZ1  LYS   8          1HZ       LYS   8  -0.468  -6.497  10.288
   63    HZ2  LYS   8          2HZ       LYS   8  -1.288  -5.353  11.194
   64    HZ3  LYS   8          3HZ       LYS   8   0.395  -5.413  11.238
   65    H    CYS   9           H        CYS   9  -1.493  -2.804   4.767
   66    HA   CYS   9           HA       CYS   9  -4.318  -2.272   4.264
   67    HB2  CYS   9          2HB       CYS   9  -3.532  -2.285   1.786
   68    HB3  CYS   9          1HB       CYS   9  -3.361  -0.818   2.752
   69    H    ILE  10           H        ILE  10  -5.011  -3.819   2.408
   70    HA   ILE  10           HA       ILE  10  -4.347  -6.479   3.236
   71    HB   ILE  10           HB       ILE  10  -6.218  -5.493   1.054
   72   HG12  ILE  10          2HG1      ILE  10  -6.793  -6.452   3.866
   73   HG13  ILE  10          1HG1      ILE  10  -6.908  -4.792   3.301
   74   HG21  ILE  10          1HG2      ILE  10  -7.180  -7.759   1.121
   75   HG22  ILE  10          2HG2      ILE  10  -5.904  -8.248   2.238
   76   HG23  ILE  10          3HG2      ILE  10  -5.497  -7.764   0.598
   77   HD11  ILE  10          1HD1      ILE  10  -8.722  -5.445   1.792
   78   HD12  ILE  10          2HD1      ILE  10  -9.099  -5.811   3.475
   79   HD13  ILE  10          3HD1      ILE  10  -8.606  -7.102   2.380
   80    HA   PRO  11           HA       PRO  11  -1.050  -6.588   0.236
   81    HB2  PRO  11          2HB       PRO  11  -0.241  -9.130   0.705
   82    HB3  PRO  11          1HB       PRO  11   0.105  -7.793   1.808
   83    HG2  PRO  11          2HG       PRO  11  -2.061  -9.848   1.955
   84    HG3  PRO  11          1HG       PRO  11  -0.987  -9.277   3.249
   85    HD2  PRO  11          2HD       PRO  11  -3.513  -8.402   2.961
   86    HD3  PRO  11          1HD       PRO  11  -2.215  -7.345   3.558
   87    H    ASP  12           H        ASP  12  -3.664  -8.949   0.277
   88    HA   ASP  12           HA       ASP  12  -2.905  -9.929  -2.365
   89    HB2  ASP  12          2HB       ASP  12  -4.639 -11.650  -2.046
   90    HB3  ASP  12          1HB       ASP  12  -3.503 -11.626  -0.708
   91    H    ASN  13           H        ASN  13  -4.874  -7.613  -1.054
   92    HA   ASN  13           HA       ASN  13  -6.117  -7.017  -3.600
   93    HB2  ASN  13          2HB       ASN  13  -7.755  -7.464  -1.072
   94    HB3  ASN  13          1HB       ASN  13  -8.329  -6.468  -2.392
   95   HD21  ASN  13          1HD2      ASN  13  -7.360  -8.216  -4.518
   96   HD22  ASN  13          2HD2      ASN  13  -8.352  -9.614  -4.463
   97    H    ASP  14           H        ASP  14  -4.657  -5.393  -3.534
   98    HA   ASP  14           HA       ASP  14  -4.432  -3.822  -1.184
   99    HB2  ASP  14          2HB       ASP  14  -2.641  -2.606  -2.304
  100    HB3  ASP  14          1HB       ASP  14  -2.431  -4.345  -2.363
  101    H    LYS  15           H        LYS  15  -5.578  -2.251  -0.589
  102    HA   LYS  15           HA       LYS  15  -6.862  -0.569  -2.607
  103    HB2  LYS  15          2HB       LYS  15  -7.675  -0.998   0.286
  104    HB3  LYS  15          1HB       LYS  15  -8.507   0.006  -0.879
  105    HG2  LYS  15          2HG       LYS  15  -8.254  -2.997  -1.011
  106    HG3  LYS  15          1HG       LYS  15  -9.675  -2.093  -0.495
  107    HD2  LYS  15          2HD       LYS  15  -9.802  -1.072  -2.744
  108    HD3  LYS  15          1HD       LYS  15  -8.424  -2.055  -3.241
  109    HE2  LYS  15          2HE       LYS  15 -10.483  -3.102  -3.979
  110    HE3  LYS  15          1HE       LYS  15  -9.720  -4.090  -2.738
  111    HZ1  LYS  15          1HZ       LYS  15 -12.109  -3.904  -2.378
  112    HZ2  LYS  15          2HZ       LYS  15 -12.026  -2.251  -2.330
  113    HZ3  LYS  15          3HZ       LYS  15 -11.309  -3.153  -1.107
  114    H    CYS  16           H        CYS  16  -5.307   0.975  -2.882
  115    HA   CYS  16           HA       CYS  16  -4.862   2.727  -0.674
  116    HB2  CYS  16          2HB       CYS  16  -3.003   0.870  -0.910
  117    HB3  CYS  16          1HB       CYS  16  -2.513   1.826  -2.308
  118    H    CYS  17           H        CYS  17  -3.431   4.608  -1.865
  119    HA   CYS  17           HA       CYS  17  -5.151   5.403  -4.028
  120    HB2  CYS  17          2HB       CYS  17  -2.703   6.836  -3.000
  121    HB3  CYS  17          1HB       CYS  17  -4.085   7.526  -3.846
  122    H    ARG  18           H        ARG  18  -4.688   4.066  -5.736
  123    HA   ARG  18           HA       ARG  18  -1.899   3.841  -6.524
  124    HB2  ARG  18          2HB       ARG  18  -2.475   1.834  -7.624
  125    HB3  ARG  18          1HB       ARG  18  -3.441   1.849  -6.178
  126    HG2  ARG  18          2HG       ARG  18  -5.352   2.689  -7.575
  127    HG3  ARG  18          1HG       ARG  18  -4.348   2.347  -8.990
  128    HD2  ARG  18          2HD       ARG  18  -5.429   0.452  -6.943
  129    HD3  ARG  18          1HD       ARG  18  -5.587   0.391  -8.700
  130    HE   ARG  18           HE       ARG  18  -3.075   0.038  -8.634
  131   HH11  ARG  18          1HH1      ARG  18  -5.366  -1.343  -6.341
  132   HH12  ARG  18          2HH1      ARG  18  -4.252  -2.466  -5.703
  133   HH21  ARG  18          1HH2      ARG  18  -1.547  -1.454  -7.701
  134   HH22  ARG  18          2HH2      ARG  18  -2.040  -2.438  -6.380
  135    HA   PRO  19           HA       PRO  19  -1.197   2.815  -8.676
  136    HB2  PRO  19          2HB       PRO  19   0.453   3.544 -10.602
  137    HB3  PRO  19          1HB       PRO  19  -1.186   3.006 -10.986
  138    HG2  PRO  19          2HG       PRO  19  -0.077   5.781 -10.884
  139    HG3  PRO  19          1HG       PRO  19  -1.220   5.076 -12.039
  140    HD2  PRO  19          2HD       PRO  19  -1.902   6.646  -9.834
  141    HD3  PRO  19          1HD       PRO  19  -3.010   5.584 -10.718
  142    H    ASN  20           H        ASN  20  -0.924   5.706  -7.344
  143    HA   ASN  20           HA       ASN  20   1.904   6.109  -7.266
  144    HB2  ASN  20          2HB       ASN  20  -0.285   7.245  -5.529
  145    HB3  ASN  20          1HB       ASN  20   1.402   7.727  -5.429
  146   HD21  ASN  20          1HD2      ASN  20   1.800   7.599  -8.361
  147   HD22  ASN  20          2HD2      ASN  20   0.962   8.974  -8.965
  148    H    LEU  21           H        LEU  21  -0.417   4.597  -5.091
  149    HA   LEU  21           HA       LEU  21   1.883   3.431  -3.733
  150    HB2  LEU  21          2HB       LEU  21  -0.741   4.189  -2.485
  151    HB3  LEU  21          1HB       LEU  21   0.505   3.313  -1.675
  152    HG   LEU  21           HG       LEU  21   1.943   5.451  -2.396
  153   HD11  LEU  21          1HD1      LEU  21   0.688   7.488  -2.011
  154   HD12  LEU  21          2HD1      LEU  21  -0.807   6.555  -1.947
  155   HD13  LEU  21          3HD1      LEU  21   0.129   6.622  -3.443
  156   HD21  LEU  21          1HD2      LEU  21   1.891   4.549  -0.200
  157   HD22  LEU  21          2HD2      LEU  21   0.237   5.091   0.033
  158   HD23  LEU  21          3HD2      LEU  21   1.545   6.279  -0.089
  159    H    VAL  22           H        VAL  22   1.873   1.377  -3.459
  160    HA   VAL  22           HA       VAL  22  -0.570  -0.144  -3.983
  161    HB   VAL  22           HB       VAL  22   0.820  -2.002  -4.887
  162   HG11  VAL  22          1HG1      VAL  22   1.138   0.578  -6.397
  163   HG12  VAL  22          2HG1      VAL  22  -0.240  -0.521  -6.468
  164   HG13  VAL  22          3HG1      VAL  22   1.332  -1.035  -7.083
  165   HG21  VAL  22          1HG2      VAL  22   3.086  -0.009  -4.777
  166   HG22  VAL  22          2HG2      VAL  22   3.151  -1.578  -5.578
  167   HG23  VAL  22          3HG2      VAL  22   2.945  -1.488  -3.827
  168    H    CYS  23           H        CYS  23  -0.508  -2.236  -2.819
  169    HA   CYS  23           HA       CYS  23   0.679  -1.686  -0.213
  170    HB2  CYS  23          2HB       CYS  23  -1.741  -2.410  -0.463
  171    HB3  CYS  23          1HB       CYS  23  -1.115  -3.993  -0.924
  172    H    SER  24           H        SER  24   2.371  -2.715   0.521
  173    HA   SER  24           HA       SER  24   3.846  -4.499  -1.093
  174    HB2  SER  24          2HB       SER  24   4.850  -3.029   0.677
  175    HB3  SER  24          1HB       SER  24   4.012  -3.990   1.879
  176    HG   SER  24           HG       SER  24   6.117  -4.780   0.175
  177    H    ARG  25           H        ARG  25   3.617  -6.665  -1.226
  178    HA   ARG  25           HA       ARG  25   1.506  -7.913   0.267
  179    HB2  ARG  25          2HB       ARG  25   3.506  -9.180  -1.603
  180    HB3  ARG  25          1HB       ARG  25   2.009  -9.902  -1.030
  181    HG2  ARG  25          2HG       ARG  25   0.771  -8.058  -2.167
  182    HG3  ARG  25          1HG       ARG  25   2.306  -7.544  -2.870
  183    HD2  ARG  25          2HD       ARG  25   1.176  -8.931  -4.461
  184    HD3  ARG  25          1HD       ARG  25   2.570  -9.798  -3.787
  185    HE   ARG  25           HE       ARG  25   0.722 -10.693  -2.181
  186   HH11  ARG  25          1HH1      ARG  25   0.465 -10.363  -5.725
  187   HH12  ARG  25          2HH1      ARG  25  -0.692 -11.602  -5.842
  188   HH21  ARG  25          1HH2      ARG  25  -0.828 -12.356  -2.412
  189   HH22  ARG  25          2HH2      ARG  25  -1.446 -12.760  -3.943
  190    H    LEU  26           H        LEU  26   4.892  -7.710   0.246
  191    HA   LEU  26           HA       LEU  26   5.376  -9.771   2.195
  192    HB2  LEU  26          2HB       LEU  26   7.161  -7.551   1.217
  193    HB3  LEU  26          1HB       LEU  26   7.675  -8.877   2.237
  194    HG   LEU  26           HG       LEU  26   6.636  -9.183  -0.584
  195   HD11  LEU  26          1HD1      LEU  26   8.961  -9.657  -1.160
  196   HD12  LEU  26          2HD1      LEU  26   9.446  -9.281   0.494
  197   HD13  LEU  26          3HD1      LEU  26   8.770  -8.019  -0.538
  198   HD21  LEU  26          1HD2      LEU  26   6.243 -11.147   0.806
  199   HD22  LEU  26          2HD2      LEU  26   7.936 -11.151   1.297
  200   HD23  LEU  26          3HD2      LEU  26   7.503 -11.463  -0.384
  201    H    HIS  27           H        HIS  27   5.458  -6.193   2.309
  202    HA   HIS  27           HA       HIS  27   5.938  -6.290   5.179
  203    HB2  HIS  27          2HB       HIS  27   5.783  -3.899   3.326
  204    HB3  HIS  27          1HB       HIS  27   6.279  -3.857   5.007
  205    HD1  HIS  27          1HD       HIS  27   8.800  -4.032   5.373
  206    HD2  HIS  27          2HD       HIS  27   7.608  -5.443   1.652
  207    HE1  HIS  27          1HE       HIS  27  10.914  -4.534   4.106
  208    H    ARG  28           H        ARG  28   3.318  -5.860   3.037
  209    HA   ARG  28           HA       ARG  28   1.148  -5.569   3.259
  210    HB2  ARG  28          2HB       ARG  28   1.698  -6.095   6.170
  211    HB3  ARG  28          1HB       ARG  28   0.078  -5.937   5.501
  212    HG2  ARG  28          2HG       ARG  28   0.547  -7.795   3.972
  213    HG3  ARG  28          1HG       ARG  28   2.141  -7.972   4.702
  214    HD2  ARG  28          2HD       ARG  28   1.143  -8.514   6.827
  215    HD3  ARG  28          1HD       ARG  28  -0.473  -8.219   6.177
  216    HE   ARG  28           HE       ARG  28   1.062 -10.177   4.749
  217   HH11  ARG  28          1HH1      ARG  28  -1.166  -9.704   7.450
  218   HH12  ARG  28          2HH1      ARG  28  -1.798 -11.284   7.367
  219   HH21  ARG  28          1HH2      ARG  28   0.202 -12.300   4.636
  220   HH22  ARG  28          2HH2      ARG  28  -0.991 -12.809   5.752
  221    H    TRP  29           H        TRP  29   2.899  -3.218   3.452
  222    HA   TRP  29           HA       TRP  29   0.767  -1.469   4.388
  223    HB2  TRP  29          2HB       TRP  29   2.367   0.243   5.105
  224    HB3  TRP  29          1HB       TRP  29   2.570  -1.247   6.005
  225    HD1  TRP  29           HD       TRP  29   4.261   0.225   2.779
  226    HE1  TRP  29          1HE       TRP  29   6.807  -0.067   3.032
  227    HE3  TRP  29          3HE       TRP  29   4.363  -2.051   7.353
  228    HZ2  TRP  29          2HZ       TRP  29   8.613  -1.091   4.933
  229    HZ3  TRP  29          3HZ       TRP  29   6.543  -2.636   8.324
  230    HH2  TRP  29           HH       TRP  29   8.619  -2.164   7.134
  231    H    CYS  30           H        CYS  30   0.725   0.623   3.406
  232    HA   CYS  30           HA       CYS  30   0.910   0.484   0.573
  233    HB2  CYS  30          2HB       CYS  30   0.256   2.699   2.480
  234    HB3  CYS  30          1HB       CYS  30   0.414   2.990   0.758
  235    H    LYS  31           H        LYS  31   2.696   0.617  -0.492
  236    HA   LYS  31           HA       LYS  31   4.800   2.383   0.494
  237    HB2  LYS  31          2HB       LYS  31   6.396   0.915  -0.576
  238    HB3  LYS  31          1HB       LYS  31   5.357  -0.047   0.454
  239    HG2  LYS  31          2HG       LYS  31   4.057  -0.703  -1.546
  240    HG3  LYS  31          1HG       LYS  31   5.214   0.182  -2.540
  241    HD2  LYS  31          2HD       LYS  31   7.014  -1.240  -1.538
  242    HD3  LYS  31          1HD       LYS  31   5.754  -2.207  -0.789
  243    HE2  LYS  31          2HE       LYS  31   6.382  -3.303  -2.801
  244    HE3  LYS  31          1HE       LYS  31   4.796  -2.580  -3.063
  245    HZ1  LYS  31          1HZ       LYS  31   7.380  -1.422  -3.935
  246    HZ2  LYS  31          2HZ       LYS  31   5.894  -0.733  -4.257
  247    HZ3  LYS  31          3HZ       LYS  31   6.306  -2.203  -4.945
  248    H    TYR  32           H        TYR  32   5.837   3.652  -1.071
  249    HA   TYR  32           HA       TYR  32   4.066   4.530  -3.138
  250    HB2  TYR  32          2HB       TYR  32   6.804   5.507  -2.305
  251    HB3  TYR  32          1HB       TYR  32   5.799   6.272  -3.530
  252    HD1  TYR  32          1HD       TYR  32   6.386   5.846   0.036
  253    HD2  TYR  32          2HD       TYR  32   3.686   7.369  -2.872
  254    HE1  TYR  32          1HE       TYR  32   5.279   7.181   1.771
  255    HE2  TYR  32          2HE       TYR  32   2.571   8.700  -1.160
  256    HH   TYR  32           HH       TYR  32   2.276   8.706   1.258
  257    H    VAL  33           H        VAL  33   4.312   4.335  -5.235
  258    HA   VAL  33           HA       VAL  33   6.132   2.311  -6.187
  259    HB   VAL  33           HB       VAL  33   3.964   3.858  -7.640
  260   HG11  VAL  33          1HG1      VAL  33   4.146   2.142  -9.380
  261   HG12  VAL  33          2HG1      VAL  33   5.490   1.406  -8.509
  262   HG13  VAL  33          3HG1      VAL  33   5.662   3.025  -9.192
  263   HG21  VAL  33          1HG2      VAL  33   3.964   1.065  -6.524
  264   HG22  VAL  33          2HG2      VAL  33   2.662   1.808  -7.453
  265   HG23  VAL  33          3HG2      VAL  33   3.091   2.448  -5.866
  266    H    PHE  34           H        PHE  34   8.116   3.068  -6.380
  267    HA   PHE  34           HA       PHE  34   8.565   5.061  -8.385
  268    HB2  PHE  34          2HB       PHE  34  10.364   6.183  -7.035
  269    HB3  PHE  34          1HB       PHE  34   8.758   6.436  -6.388
  270    HD1  PHE  34          1HD       PHE  34   8.135   5.488  -4.236
  271    HD2  PHE  34          2HD       PHE  34  12.022   4.888  -5.842
  272    HE1  PHE  34          1HE       PHE  34   8.935   4.767  -2.018
  273    HE2  PHE  34          2HE       PHE  34  12.831   4.164  -3.644
  274    HZ   PHE  34           HZ       PHE  34  11.288   4.100  -1.722
  Start of MODEL   18
    1    H1   ASP   1          1HT       ASP   1  -5.255  13.996   0.201
    2    H2   ASP   1          2HT       ASP   1  -3.966  13.149  -0.464
    3    H3   ASP   1          3HT       ASP   1  -3.672  14.328   0.696
    4    HA   ASP   1           HA       ASP   1  -3.480  12.115   1.595
    5    HB2  ASP   1          2HB       ASP   1  -4.175  13.838   3.149
    6    HB3  ASP   1          1HB       ASP   1  -5.850  13.688   2.621
    7    H    CYS   2           H        CYS   2  -3.917  10.159   0.960
    8    HA   CYS   2           HA       CYS   2  -6.691   9.298   0.751
    9    HB2  CYS   2          2HB       CYS   2  -5.548   9.954  -1.547
   10    HB3  CYS   2          1HB       CYS   2  -4.689   8.435  -1.343
   11    H    LEU   3           H        LEU   3  -5.942   6.625  -0.055
   12    HA   LEU   3           HA       LEU   3  -4.838   5.667   2.428
   13    HB2  LEU   3          2HB       LEU   3  -5.439   4.147  -0.060
   14    HB3  LEU   3          1HB       LEU   3  -5.217   3.477   1.531
   15    HG   LEU   3           HG       LEU   3  -7.538   5.215   0.706
   16   HD11  LEU   3          1HD1      LEU   3  -8.842   3.180   0.895
   17   HD12  LEU   3          2HD1      LEU   3  -7.382   2.266   1.279
   18   HD13  LEU   3          3HD1      LEU   3  -7.572   3.000  -0.315
   19   HD21  LEU   3          1HD2      LEU   3  -7.000   3.737   3.288
   20   HD22  LEU   3          2HD2      LEU   3  -8.465   4.642   2.892
   21   HD23  LEU   3          3HD2      LEU   3  -6.930   5.486   3.068
   22    H    GLY   4           H        GLY   4  -2.828   5.499   2.738
   23    HA2  GLY   4          2HA       GLY   4  -0.927   4.216   1.191
   24    HA3  GLY   4          1HA       GLY   4  -0.778   5.945   0.865
   25    H    ALA   5           H        ALA   5   0.919   6.630   1.966
   26    HA   ALA   5           HA       ALA   5   2.361   7.162   3.632
   27    HB1  ALA   5          1HB       ALA   5   0.402   8.543   4.110
   28    HB2  ALA   5          2HB       ALA   5   1.337   8.161   5.559
   29    HB3  ALA   5          3HB       ALA   5  -0.171   7.306   5.231
   30    H    PHE   6           H        PHE   6   2.290   4.348   3.420
   31    HA   PHE   6           HA       PHE   6   3.097   2.529   4.429
   32    HB2  PHE   6          2HB       PHE   6   3.849   4.413   6.679
   33    HB3  PHE   6          1HB       PHE   6   4.442   2.767   6.494
   34    HD1  PHE   6          1HD       PHE   6   4.904   6.202   5.614
   35    HD2  PHE   6          2HD       PHE   6   5.779   2.216   4.423
   36    HE1  PHE   6          1HE       PHE   6   6.727   7.034   4.198
   37    HE2  PHE   6          2HE       PHE   6   7.603   3.039   3.002
   38    HZ   PHE   6           HZ       PHE   6   8.082   5.449   2.883
   39    H    ARG   7           H        ARG   7   0.308   3.517   5.018
   40    HA   ARG   7           HA       ARG   7  -0.248   2.335   7.568
   41    HB2  ARG   7          2HB       ARG   7  -2.076   3.303   5.370
   42    HB3  ARG   7          1HB       ARG   7  -2.659   2.585   6.864
   43    HG2  ARG   7          2HG       ARG   7  -0.990   5.085   6.667
   44    HG3  ARG   7          1HG       ARG   7  -2.739   5.028   6.903
   45    HD2  ARG   7          2HD       ARG   7  -0.658   3.894   8.779
   46    HD3  ARG   7          1HD       ARG   7  -1.561   5.383   9.019
   47    HE   ARG   7           HE       ARG   7  -3.585   3.822   8.900
   48   HH11  ARG   7          1HH1      ARG   7  -0.494   2.928  10.416
   49   HH12  ARG   7          2HH1      ARG   7  -1.177   1.854  11.530
   50   HH21  ARG   7          1HH2      ARG   7  -4.519   2.367  10.407
   51   HH22  ARG   7          2HH2      ARG   7  -3.567   1.517  11.539
   52    H    LYS   8           H        LYS   8  -1.272   0.491   7.966
   53    HA   LYS   8           HA       LYS   8  -0.329  -1.767   6.626
   54    HB2  LYS   8          2HB       LYS   8  -2.733  -1.694   8.431
   55    HB3  LYS   8          1HB       LYS   8  -1.599  -3.014   8.185
   56    HG2  LYS   8          2HG       LYS   8   0.161  -1.703   9.258
   57    HG3  LYS   8          1HG       LYS   8  -0.975  -0.382   9.517
   58    HD2  LYS   8          2HD       LYS   8  -0.856  -1.568  11.555
   59    HD3  LYS   8          1HD       LYS   8  -2.392  -2.004  10.815
   60    HE2  LYS   8          2HE       LYS   8  -1.339  -3.982  11.717
   61    HE3  LYS   8          1HE       LYS   8  -1.342  -4.083   9.961
   62    HZ1  LYS   8          1HZ       LYS   8   0.775  -4.736  10.874
   63    HZ2  LYS   8          2HZ       LYS   8   0.973  -3.225  11.615
   64    HZ3  LYS   8          3HZ       LYS   8   0.958  -3.357   9.947
   65    H    CYS   9           H        CYS   9  -1.403  -3.324   5.337
   66    HA   CYS   9           HA       CYS   9  -4.111  -2.867   4.537
   67    HB2  CYS   9          2HB       CYS   9  -3.472  -2.803   2.104
   68    HB3  CYS   9          1HB       CYS   9  -3.059  -1.351   3.011
   69    H    ILE  10           H        ILE  10  -4.828  -4.602   3.103
   70    HA   ILE  10           HA       ILE  10  -3.347  -7.063   3.591
   71    HB   ILE  10           HB       ILE  10  -6.243  -6.572   2.842
   72   HG12  ILE  10          2HG1      ILE  10  -5.751  -6.042   5.170
   73   HG13  ILE  10          1HG1      ILE  10  -6.742  -7.490   5.079
   74   HG21  ILE  10          1HG2      ILE  10  -4.868  -9.195   3.335
   75   HG22  ILE  10          2HG2      ILE  10  -5.475  -8.616   1.784
   76   HG23  ILE  10          3HG2      ILE  10  -6.602  -8.975   3.095
   77   HD11  ILE  10          1HD1      ILE  10  -5.046  -7.731   6.777
   78   HD12  ILE  10          2HD1      ILE  10  -3.778  -7.375   5.614
   79   HD13  ILE  10          3HD1      ILE  10  -4.723  -8.856   5.457
   80    HA   PRO  11           HA       PRO  11  -1.925  -6.310  -0.594
   81    HB2  PRO  11          2HB       PRO  11  -0.954  -9.083  -0.416
   82    HB3  PRO  11          1HB       PRO  11  -0.065  -7.592  -0.745
   83    HG2  PRO  11          2HG       PRO  11   0.156  -8.832   1.603
   84    HG3  PRO  11          1HG       PRO  11   0.126  -7.058   1.503
   85    HD2  PRO  11          2HD       PRO  11  -2.034  -8.953   2.317
   86    HD3  PRO  11          1HD       PRO  11  -1.569  -7.371   2.993
   87    H    ASP  12           H        ASP  12  -3.745  -9.287   0.090
   88    HA   ASP  12           HA       ASP  12  -4.030  -9.786  -2.731
   89    HB2  ASP  12          2HB       ASP  12  -5.388 -11.705  -2.219
   90    HB3  ASP  12          1HB       ASP  12  -4.059 -11.670  -1.075
   91    H    ASN  13           H        ASN  13  -5.546  -7.746  -0.613
   92    HA   ASN  13           HA       ASN  13  -7.390  -7.051  -2.736
   93    HB2  ASN  13          2HB       ASN  13  -8.763  -8.267  -1.005
   94    HB3  ASN  13          1HB       ASN  13  -8.246  -7.076   0.184
   95   HD21  ASN  13          1HD2      ASN  13 -10.209  -7.651  -2.597
   96   HD22  ASN  13          2HD2      ASN  13 -11.116  -6.185  -2.539
   97    H    ASP  14           H        ASP  14  -5.727  -5.678  -3.144
   98    HA   ASP  14           HA       ASP  14  -4.507  -3.950  -1.314
   99    HB2  ASP  14          2HB       ASP  14  -3.444  -4.485  -3.394
  100    HB3  ASP  14          1HB       ASP  14  -4.747  -3.791  -4.323
  101    H    LYS  15           H        LYS  15  -5.420  -2.446  -0.229
  102    HA   LYS  15           HA       LYS  15  -7.207  -0.639  -1.655
  103    HB2  LYS  15          2HB       LYS  15  -7.051  -1.225   1.305
  104    HB3  LYS  15          1HB       LYS  15  -7.951   0.125   0.638
  105    HG2  LYS  15          2HG       LYS  15  -9.393  -1.492  -0.547
  106    HG3  LYS  15          1HG       LYS  15  -8.500  -2.812   0.221
  107    HD2  LYS  15          2HD       LYS  15  -9.131  -2.000   2.420
  108    HD3  LYS  15          1HD       LYS  15  -9.936  -0.609   1.703
  109    HE2  LYS  15          2HE       LYS  15 -11.577  -2.240   2.351
  110    HE3  LYS  15          1HE       LYS  15 -11.520  -2.142   0.598
  111    HZ1  LYS  15          1HZ       LYS  15 -11.664  -4.408   1.418
  112    HZ2  LYS  15          2HZ       LYS  15 -10.205  -4.235   2.240
  113    HZ3  LYS  15          3HZ       LYS  15 -10.235  -4.199   0.553
  114    H    CYS  16           H        CYS  16  -5.403   0.458  -2.536
  115    HA   CYS  16           HA       CYS  16  -4.337   2.381  -0.747
  116    HB2  CYS  16          2HB       CYS  16  -2.820   0.216  -1.381
  117    HB3  CYS  16          1HB       CYS  16  -2.578   1.180  -2.837
  118    H    CYS  17           H        CYS  17  -3.914   4.281  -2.159
  119    HA   CYS  17           HA       CYS  17  -6.032   4.225  -4.062
  120    HB2  CYS  17          2HB       CYS  17  -4.365   6.544  -3.150
  121    HB3  CYS  17          1HB       CYS  17  -5.751   6.672  -4.236
  122    H    ARG  18           H        ARG  18  -2.673   3.733  -4.609
  123    HA   ARG  18           HA       ARG  18  -1.364   3.824  -6.340
  124    HB2  ARG  18          2HB       ARG  18  -4.014   3.179  -7.519
  125    HB3  ARG  18          1HB       ARG  18  -2.651   3.417  -8.582
  126    HG2  ARG  18          2HG       ARG  18  -2.599   1.125  -8.280
  127    HG3  ARG  18          1HG       ARG  18  -1.523   1.646  -6.990
  128    HD2  ARG  18          2HD       ARG  18  -3.501   1.598  -5.449
  129    HD3  ARG  18          1HD       ARG  18  -4.424   0.869  -6.757
  130    HE   ARG  18           HE       ARG  18  -2.818  -0.474  -4.964
  131   HH11  ARG  18          1HH1      ARG  18  -3.383  -0.570  -8.477
  132   HH12  ARG  18          2HH1      ARG  18  -2.689  -2.099  -8.693
  133   HH21  ARG  18          1HH2      ARG  18  -1.939  -2.554  -5.245
  134   HH22  ARG  18          2HH2      ARG  18  -1.805  -3.262  -6.804
  135    HA   PRO  19           HA       PRO  19  -0.916   3.761  -9.008
  136    HB2  PRO  19          2HB       PRO  19   0.853   5.669 -10.307
  137    HB3  PRO  19          1HB       PRO  19  -0.324   4.597 -11.060
  138    HG2  PRO  19          2HG       PRO  19  -0.644   7.268 -11.060
  139    HG3  PRO  19          1HG       PRO  19  -2.024   6.166 -10.931
  140    HD2  PRO  19          2HD       PRO  19  -0.595   7.653  -8.753
  141    HD3  PRO  19          1HD       PRO  19  -2.343   7.501  -9.047
  142    H    ASN  20           H        ASN  20   0.314   6.352  -7.248
  143    HA   ASN  20           HA       ASN  20   3.062   5.456  -7.108
  144    HB2  ASN  20          2HB       ASN  20   1.711   7.523  -5.369
  145    HB3  ASN  20          1HB       ASN  20   3.436   7.319  -5.632
  146   HD21  ASN  20          1HD2      ASN  20   1.880   9.666  -5.997
  147   HD22  ASN  20          2HD2      ASN  20   1.999  10.124  -7.654
  148    H    LEU  21           H        LEU  21   0.180   4.865  -5.441
  149    HA   LEU  21           HA       LEU  21   1.576   3.919  -3.022
  150    HB2  LEU  21          2HB       LEU  21  -1.405   4.401  -3.213
  151    HB3  LEU  21          1HB       LEU  21  -0.352   4.262  -1.846
  152    HG   LEU  21           HG       LEU  21   0.002   6.594  -3.674
  153   HD11  LEU  21          1HD1      LEU  21  -1.661   6.422  -1.169
  154   HD12  LEU  21          2HD1      LEU  21  -2.269   6.667  -2.806
  155   HD13  LEU  21          3HD1      LEU  21  -1.266   7.899  -2.048
  156   HD21  LEU  21          1HD2      LEU  21   1.158   7.491  -1.719
  157   HD22  LEU  21          2HD2      LEU  21   1.878   5.969  -2.235
  158   HD23  LEU  21          3HD2      LEU  21   0.825   6.008  -0.832
  159    H    VAL  22           H        VAL  22   1.784   1.823  -2.933
  160    HA   VAL  22           HA       VAL  22  -0.381   0.147  -3.919
  161    HB   VAL  22           HB       VAL  22   1.371   0.214  -5.685
  162   HG11  VAL  22          1HG1      VAL  22   3.566  -0.793  -5.315
  163   HG12  VAL  22          2HG1      VAL  22   3.195  -0.946  -3.598
  164   HG13  VAL  22          3HG1      VAL  22   3.318   0.650  -4.334
  165   HG21  VAL  22          1HG2      VAL  22   1.172  -2.446  -4.276
  166   HG22  VAL  22          2HG2      VAL  22   1.687  -2.217  -5.947
  167   HG23  VAL  22          3HG2      VAL  22   0.040  -1.808  -5.467
  168    H    CYS  23           H        CYS  23  -0.674  -1.742  -2.716
  169    HA   CYS  23           HA       CYS  23   0.461  -1.693  -0.098
  170    HB2  CYS  23          2HB       CYS  23  -1.913  -2.310  -0.572
  171    HB3  CYS  23          1HB       CYS  23  -1.340  -3.726  -1.441
  172    H    SER  24           H        SER  24   2.575  -2.276  -0.022
  173    HA   SER  24           HA       SER  24   3.747  -4.153  -1.765
  174    HB2  SER  24          2HB       SER  24   4.935  -2.316  -0.553
  175    HB3  SER  24          1HB       SER  24   4.692  -3.209   0.948
  176    HG   SER  24           HG       SER  24   6.221  -3.889  -1.308
  177    H    ARG  25           H        ARG  25   3.572  -6.311  -1.643
  178    HA   ARG  25           HA       ARG  25   1.860  -7.426   0.300
  179    HB2  ARG  25          2HB       ARG  25   2.069  -9.521  -0.842
  180    HB3  ARG  25          1HB       ARG  25   1.893  -8.224  -2.007
  181    HG2  ARG  25          2HG       ARG  25   4.316  -8.314  -2.425
  182    HG3  ARG  25          1HG       ARG  25   4.433  -9.663  -1.296
  183    HD2  ARG  25          2HD       ARG  25   2.849  -9.582  -3.855
  184    HD3  ARG  25          1HD       ARG  25   4.325 -10.496  -3.560
  185    HE   ARG  25           HE       ARG  25   2.555 -11.348  -1.650
  186   HH11  ARG  25          1HH1      ARG  25   2.596 -11.286  -5.168
  187   HH12  ARG  25          2HH1      ARG  25   1.626 -12.659  -5.370
  188   HH21  ARG  25          1HH2      ARG  25   1.188 -13.268  -1.886
  189   HH22  ARG  25          2HH2      ARG  25   0.816 -13.839  -3.445
  190    H    LEU  26           H        LEU  26   5.297  -7.286   0.135
  191    HA   LEU  26           HA       LEU  26   5.568  -9.355   2.129
  192    HB2  LEU  26          2HB       LEU  26   7.944  -8.930   2.167
  193    HB3  LEU  26          1HB       LEU  26   7.378  -9.147   0.523
  194    HG   LEU  26           HG       LEU  26   7.913  -6.447   1.721
  195   HD11  LEU  26          1HD1      LEU  26  10.127  -6.558   0.622
  196   HD12  LEU  26          2HD1      LEU  26   9.810  -8.236   0.181
  197   HD13  LEU  26          3HD1      LEU  26   9.963  -7.782   1.879
  198   HD21  LEU  26          1HD2      LEU  26   8.265  -5.836  -0.664
  199   HD22  LEU  26          2HD2      LEU  26   6.630  -6.350  -0.305
  200   HD23  LEU  26          3HD2      LEU  26   7.739  -7.458  -1.122
  201    H    HIS  27           H        HIS  27   5.685  -5.908   2.042
  202    HA   HIS  27           HA       HIS  27   6.385  -5.694   4.819
  203    HB2  HIS  27          2HB       HIS  27   5.488  -3.583   2.859
  204    HB3  HIS  27          1HB       HIS  27   6.030  -3.259   4.497
  205    HD1  HIS  27          1HD       HIS  27   8.642  -4.140   4.947
  206    HD2  HIS  27          2HD       HIS  27   7.433  -3.522   1.022
  207    HE1  HIS  27          1HE       HIS  27  10.751  -3.929   3.601
  208    H    ARG  28           H        ARG  28   3.468  -5.576   2.918
  209    HA   ARG  28           HA       ARG  28   1.315  -5.701   3.377
  210    HB2  ARG  28          2HB       ARG  28   2.169  -6.190   6.233
  211    HB3  ARG  28          1HB       ARG  28   0.523  -6.367   5.634
  212    HG2  ARG  28          2HG       ARG  28   1.252  -8.146   4.140
  213    HG3  ARG  28          1HG       ARG  28   2.913  -7.943   4.704
  214    HD2  ARG  28          2HD       ARG  28   0.548  -8.725   6.377
  215    HD3  ARG  28          1HD       ARG  28   1.827  -9.812   5.833
  216    HE   ARG  28           HE       ARG  28   3.234  -7.985   7.125
  217   HH11  ARG  28          1HH1      ARG  28   0.257  -9.617   8.095
  218   HH12  ARG  28          2HH1      ARG  28   0.582  -9.525   9.762
  219   HH21  ARG  28          1HH2      ARG  28   3.673  -7.847   9.422
  220   HH22  ARG  28          2HH2      ARG  28   2.562  -8.510  10.516
  221    H    TRP  29           H        TRP  29   2.747  -3.268   3.371
  222    HA   TRP  29           HA       TRP  29   0.593  -1.680   4.384
  223    HB2  TRP  29          2HB       TRP  29   2.038   0.091   5.306
  224    HB3  TRP  29          1HB       TRP  29   2.230  -1.407   6.195
  225    HD1  TRP  29           HD       TRP  29   4.132   0.458   3.327
  226    HE1  TRP  29          1HE       TRP  29   6.667   0.176   3.755
  227    HE3  TRP  29          3HE       TRP  29   3.939  -2.486   7.499
  228    HZ2  TRP  29          2HZ       TRP  29   8.343  -1.091   5.624
  229    HZ3  TRP  29          3HZ       TRP  29   6.047  -3.178   8.553
  230    HH2  TRP  29           HH       TRP  29   8.203  -2.494   7.632
  231    H    CYS  30           H        CYS  30   0.548   0.413   3.422
  232    HA   CYS  30           HA       CYS  30   1.084   0.279   0.626
  233    HB2  CYS  30          2HB       CYS  30  -0.024   2.368   2.438
  234    HB3  CYS  30          1HB       CYS  30   0.413   2.742   0.775
  235    H    LYS  31           H        LYS  31   2.850   0.855  -0.386
  236    HA   LYS  31           HA       LYS  31   4.544   2.802   0.966
  237    HB2  LYS  31          2HB       LYS  31   6.529   1.663   0.328
  238    HB3  LYS  31          1HB       LYS  31   5.481   0.464   1.035
  239    HG2  LYS  31          2HG       LYS  31   4.900  -0.384  -1.154
  240    HG3  LYS  31          1HG       LYS  31   5.854   0.885  -1.915
  241    HD2  LYS  31          2HD       LYS  31   6.971  -1.211  -0.050
  242    HD3  LYS  31          1HD       LYS  31   7.055  -1.291  -1.804
  243    HE2  LYS  31          2HE       LYS  31   8.319   0.846  -0.051
  244    HE3  LYS  31          1HE       LYS  31   9.155  -0.486  -0.827
  245    HZ1  LYS  31          1HZ       LYS  31   7.794   1.761  -2.269
  246    HZ2  LYS  31          2HZ       LYS  31   8.563   0.445  -2.991
  247    HZ3  LYS  31          3HZ       LYS  31   9.440   1.523  -2.072
  248    H    TYR  32           H        TYR  32   5.958   3.935  -0.528
  249    HA   TYR  32           HA       TYR  32   4.442   4.795  -2.825
  250    HB2  TYR  32          2HB       TYR  32   7.029   5.853  -1.656
  251    HB3  TYR  32          1HB       TYR  32   6.043   6.635  -2.883
  252    HD1  TYR  32          1HD       TYR  32   6.308   5.790   0.681
  253    HD2  TYR  32          2HD       TYR  32   4.022   7.802  -2.280
  254    HE1  TYR  32          1HE       TYR  32   5.044   6.913   2.438
  255    HE2  TYR  32          2HE       TYR  32   2.746   8.924  -0.535
  256    HH   TYR  32           HH       TYR  32   2.191   8.665   1.764
  257    H    VAL  33           H        VAL  33   4.995   4.300  -4.819
  258    HA   VAL  33           HA       VAL  33   7.678   3.183  -5.285
  259    HB   VAL  33           HB       VAL  33   6.776   2.161  -7.383
  260   HG11  VAL  33          1HG1      VAL  33   5.539   0.346  -6.286
  261   HG12  VAL  33          2HG1      VAL  33   5.392   1.353  -4.842
  262   HG13  VAL  33          3HG1      VAL  33   6.980   0.824  -5.387
  263   HG21  VAL  33          1HG2      VAL  33   4.338   1.966  -7.678
  264   HG22  VAL  33          2HG2      VAL  33   4.869   3.646  -7.755
  265   HG23  VAL  33          3HG2      VAL  33   4.093   3.035  -6.295
  266    H    PHE  34           H        PHE  34   6.304   5.947  -5.308
  267    HA   PHE  34           HA       PHE  34   7.869   6.973  -7.468
  268    HB2  PHE  34          2HB       PHE  34   5.631   6.417  -8.463
  269    HB3  PHE  34          1HB       PHE  34   4.896   7.519  -7.312
  270    HD1  PHE  34          1HD       PHE  34   4.823   9.839  -7.740
  271    HD2  PHE  34          2HD       PHE  34   7.199   7.294 -10.177
  272    HE1  PHE  34          1HE       PHE  34   5.118  11.670  -9.352
  273    HE2  PHE  34          2HE       PHE  34   7.504   9.120 -11.795
  274    HZ   PHE  34           HZ       PHE  34   6.461  11.303 -11.392
  Start of MODEL   19
    1    H1   ASP   1          1HT       ASP   1  -8.911  10.401  -2.699
    2    H2   ASP   1          2HT       ASP   1  -8.178  10.831  -4.135
    3    H3   ASP   1          3HT       ASP   1  -9.010  11.997  -3.246
    4    HA   ASP   1           HA       ASP   1  -6.603  12.202  -3.024
    5    HB2  ASP   1          2HB       ASP   1  -8.028  11.244  -0.522
    6    HB3  ASP   1          1HB       ASP   1  -6.469  12.058  -0.516
    7    H    CYS   2           H        CYS   2  -4.805  11.096  -1.426
    8    HA   CYS   2           HA       CYS   2  -4.722   8.373  -2.396
    9    HB2  CYS   2          2HB       CYS   2  -2.592  10.392  -1.877
   10    HB3  CYS   2          1HB       CYS   2  -2.216   8.682  -1.910
   11    H    LEU   3           H        LEU   3  -5.188   6.900  -0.917
   12    HA   LEU   3           HA       LEU   3  -4.482   7.232   1.852
   13    HB2  LEU   3          2HB       LEU   3  -5.394   4.833   0.275
   14    HB3  LEU   3          1HB       LEU   3  -5.136   4.822   2.004
   15    HG   LEU   3           HG       LEU   3  -7.212   6.481   0.572
   16   HD11  LEU   3          1HD1      LEU   3  -8.797   4.906   1.551
   17   HD12  LEU   3          2HD1      LEU   3  -7.456   3.971   2.212
   18   HD13  LEU   3          3HD1      LEU   3  -7.670   4.092   0.467
   19   HD21  LEU   3          1HD2      LEU   3  -6.724   5.978   3.502
   20   HD22  LEU   3          2HD2      LEU   3  -8.074   6.883   2.818
   21   HD23  LEU   3          3HD2      LEU   3  -6.429   7.492   2.650
   22    H    GLY   4           H        GLY   4  -2.744   6.359   2.842
   23    HA2  GLY   4          2HA       GLY   4  -0.991   4.496   1.676
   24    HA3  GLY   4          1HA       GLY   4  -0.372   6.135   1.480
   25    H    ALA   5           H        ALA   5   0.754   6.964   3.021
   26    HA   ALA   5           HA       ALA   5   1.866   7.269   4.965
   27    HB1  ALA   5          1HB       ALA   5   0.478   7.632   6.885
   28    HB2  ALA   5          2HB       ALA   5  -0.849   6.738   6.138
   29    HB3  ALA   5          3HB       ALA   5  -0.312   8.274   5.444
   30    H    PHE   6           H        PHE   6   1.928   4.528   4.032
   31    HA   PHE   6           HA       PHE   6   2.751   2.510   4.644
   32    HB2  PHE   6          2HB       PHE   6   3.404   3.903   7.249
   33    HB3  PHE   6          1HB       PHE   6   4.065   2.368   6.718
   34    HD1  PHE   6          1HD       PHE   6   4.230   5.982   6.446
   35    HD2  PHE   6          2HD       PHE   6   5.708   2.307   4.892
   36    HE1  PHE   6          1HE       PHE   6   6.134   7.179   5.431
   37    HE2  PHE   6          2HE       PHE   6   7.602   3.496   3.873
   38    HZ   PHE   6           HZ       PHE   6   7.818   5.930   4.145
   39    H    ARG   7           H        ARG   7  -0.103   3.157   5.248
   40    HA   ARG   7           HA       ARG   7  -0.669   1.855   7.749
   41    HB2  ARG   7          2HB       ARG   7  -2.533   2.481   5.446
   42    HB3  ARG   7          1HB       ARG   7  -3.042   1.874   7.005
   43    HG2  ARG   7          2HG       ARG   7  -1.823   4.572   6.415
   44    HG3  ARG   7          1HG       ARG   7  -3.496   4.231   6.841
   45    HD2  ARG   7          2HD       ARG   7  -2.554   5.034   8.831
   46    HD3  ARG   7          1HD       ARG   7  -2.530   3.285   9.034
   47    HE   ARG   7           HE       ARG   7  -0.132   4.484   7.942
   48   HH11  ARG   7          1HH1      ARG   7  -1.707   3.241  10.868
   49   HH12  ARG   7          2HH1      ARG   7  -0.256   3.191  11.757
   50   HH21  ARG   7          1HH2      ARG   7   1.802   4.464   9.191
   51   HH22  ARG   7          2HH2      ARG   7   1.765   3.927  10.808
   52    H    LYS   8           H        LYS   8  -1.070  -0.222   8.112
   53    HA   LYS   8           HA       LYS   8  -0.215  -2.138   6.203
   54    HB2  LYS   8          2HB       LYS   8  -0.844  -3.837   7.832
   55    HB3  LYS   8          1HB       LYS   8   0.032  -2.532   8.614
   56    HG2  LYS   8          2HG       LYS   8  -2.123  -1.612   9.408
   57    HG3  LYS   8          1HG       LYS   8  -2.941  -2.976   8.657
   58    HD2  LYS   8          2HD       LYS   8  -1.737  -4.525  10.086
   59    HD3  LYS   8          1HD       LYS   8  -0.852  -3.184  10.815
   60    HE2  LYS   8          2HE       LYS   8  -3.838  -3.570  10.906
   61    HE3  LYS   8          1HE       LYS   8  -2.721  -3.931  12.219
   62    HZ1  LYS   8          1HZ       LYS   8  -3.783  -1.797  12.510
   63    HZ2  LYS   8          2HZ       LYS   8  -3.198  -1.235  11.043
   64    HZ3  LYS   8          3HZ       LYS   8  -2.123  -1.592  12.310
   65    H    CYS   9           H        CYS   9  -1.381  -3.738   5.103
   66    HA   CYS   9           HA       CYS   9  -4.252  -3.649   5.040
   67    HB2  CYS   9          2HB       CYS   9  -4.090  -3.174   2.497
   68    HB3  CYS   9          1HB       CYS   9  -4.005  -1.818   3.621
   69    H    ILE  10           H        ILE  10  -5.064  -5.230   3.356
   70    HA   ILE  10           HA       ILE  10  -3.375  -7.563   3.288
   71    HB   ILE  10           HB       ILE  10  -6.139  -7.121   2.080
   72   HG12  ILE  10          2HG1      ILE  10  -5.363  -8.530   4.647
   73   HG13  ILE  10          1HG1      ILE  10  -6.112  -6.941   4.544
   74   HG21  ILE  10          1HG2      ILE  10  -4.923  -8.919   0.977
   75   HG22  ILE  10          2HG2      ILE  10  -6.252  -9.574   1.937
   76   HG23  ILE  10          3HG2      ILE  10  -4.594  -9.680   2.535
   77   HD11  ILE  10          1HD1      ILE  10  -7.733  -8.668   5.112
   78   HD12  ILE  10          2HD1      ILE  10  -7.342  -9.527   3.622
   79   HD13  ILE  10          3HD1      ILE  10  -8.101  -7.938   3.549
   80    HA   PRO  11           HA       PRO  11  -1.581  -6.029  -0.564
   81    HB2  PRO  11          2HB       PRO  11  -0.562  -8.796  -0.751
   82    HB3  PRO  11          1HB       PRO  11   0.328  -7.272  -0.756
   83    HG2  PRO  11          2HG       PRO  11   0.383  -8.876   1.378
   84    HG3  PRO  11          1HG       PRO  11   0.339  -7.112   1.554
   85    HD2  PRO  11          2HD       PRO  11  -1.856  -9.110   1.878
   86    HD3  PRO  11          1HD       PRO  11  -1.472  -7.658   2.835
   87    H    ASP  12           H        ASP  12  -3.476  -8.845  -0.168
   88    HA   ASP  12           HA       ASP  12  -3.737  -9.638  -2.908
   89    HB2  ASP  12          2HB       ASP  12  -4.009 -11.191  -1.009
   90    HB3  ASP  12          1HB       ASP  12  -5.442 -10.315  -0.505
   91    H    ASN  13           H        ASN  13  -5.107  -7.174  -1.064
   92    HA   ASN  13           HA       ASN  13  -6.712  -6.298  -3.221
   93    HB2  ASN  13          2HB       ASN  13  -8.800  -5.960  -1.757
   94    HB3  ASN  13          1HB       ASN  13  -8.514  -7.590  -2.338
   95   HD21  ASN  13          1HD2      ASN  13  -8.461  -5.492   0.426
   96   HD22  ASN  13          2HD2      ASN  13  -8.491  -6.713   1.644
   97    H    ASP  14           H        ASP  14  -5.128  -4.798  -3.146
   98    HA   ASP  14           HA       ASP  14  -4.492  -3.385  -0.794
   99    HB2  ASP  14          2HB       ASP  14  -3.054  -1.965  -2.114
  100    HB3  ASP  14          1HB       ASP  14  -2.868  -3.628  -2.638
  101    H    LYS  15           H        LYS  15  -5.341  -1.796   0.158
  102    HA   LYS  15           HA       LYS  15  -7.230  -0.081  -1.290
  103    HB2  LYS  15          2HB       LYS  15  -7.058  -0.704   1.668
  104    HB3  LYS  15          1HB       LYS  15  -8.161   0.452   0.958
  105    HG2  LYS  15          2HG       LYS  15  -9.301  -1.348  -0.226
  106    HG3  LYS  15          1HG       LYS  15  -8.154  -2.517   0.441
  107    HD2  LYS  15          2HD       LYS  15  -8.880  -1.935   2.710
  108    HD3  LYS  15          1HD       LYS  15 -10.022  -0.767   2.047
  109    HE2  LYS  15          2HE       LYS  15 -10.056  -3.720   1.470
  110    HE3  LYS  15          1HE       LYS  15 -11.046  -2.940   2.701
  111    HZ1  LYS  15          1HZ       LYS  15 -12.096  -1.647   0.971
  112    HZ2  LYS  15          2HZ       LYS  15 -12.267  -3.292   0.668
  113    HZ3  LYS  15          3HZ       LYS  15 -11.165  -2.380  -0.225
  114    H    CYS  16           H        CYS  16  -5.548   1.237  -2.027
  115    HA   CYS  16           HA       CYS  16  -4.457   3.042  -0.058
  116    HB2  CYS  16          2HB       CYS  16  -2.813   1.707  -2.243
  117    HB3  CYS  16          1HB       CYS  16  -2.234   2.859  -1.055
  118    H    CYS  17           H        CYS  17  -3.066   4.598  -1.937
  119    HA   CYS  17           HA       CYS  17  -5.147   5.736  -3.483
  120    HB2  CYS  17          2HB       CYS  17  -3.100   6.957  -2.653
  121    HB3  CYS  17          1HB       CYS  17  -2.185   6.151  -3.920
  122    H    ARG  18           H        ARG  18  -2.328   3.790  -4.442
  123    HA   ARG  18           HA       ARG  18  -1.670   2.780  -6.255
  124    HB2  ARG  18          2HB       ARG  18  -3.480   1.296  -5.516
  125    HB3  ARG  18          1HB       ARG  18  -4.606   2.122  -6.582
  126    HG2  ARG  18          2HG       ARG  18  -3.407   1.327  -8.512
  127    HG3  ARG  18          1HG       ARG  18  -2.166   0.602  -7.491
  128    HD2  ARG  18          2HD       ARG  18  -3.706  -1.112  -8.240
  129    HD3  ARG  18          1HD       ARG  18  -3.869  -0.875  -6.501
  130    HE   ARG  18           HE       ARG  18  -5.690   0.487  -8.327
  131   HH11  ARG  18          1HH1      ARG  18  -5.218  -1.905  -5.733
  132   HH12  ARG  18          2HH1      ARG  18  -6.874  -2.202  -5.525
  133   HH21  ARG  18          1HH2      ARG  18  -7.940   0.076  -8.040
  134   HH22  ARG  18          2HH2      ARG  18  -8.500  -1.030  -6.875
  135    HA   PRO  19           HA       PRO  19  -0.733   2.153  -7.843
  136    HB2  PRO  19          2HB       PRO  19   0.991   2.636  -9.780
  137    HB3  PRO  19          1HB       PRO  19  -0.610   1.998 -10.152
  138    HG2  PRO  19          2HG       PRO  19   0.410   4.790 -10.427
  139    HG3  PRO  19          1HG       PRO  19  -0.639   3.868 -11.518
  140    HD2  PRO  19          2HD       PRO  19  -1.496   5.724  -9.605
  141    HD3  PRO  19          1HD       PRO  19  -2.517   4.508 -10.395
  142    H    ASN  20           H        ASN  20  -0.652   5.359  -7.276
  143    HA   ASN  20           HA       ASN  20   2.048   6.038  -6.802
  144    HB2  ASN  20          2HB       ASN  20  -0.403   6.948  -5.256
  145    HB3  ASN  20          1HB       ASN  20   1.182   7.691  -5.140
  146   HD21  ASN  20          1HD2      ASN  20  -1.374   8.884  -5.923
  147   HD22  ASN  20          2HD2      ASN  20  -1.125   9.493  -7.501
  148    H    LEU  21           H        LEU  21  -0.380   4.798  -4.616
  149    HA   LEU  21           HA       LEU  21   1.684   3.722  -2.803
  150    HB2  LEU  21          2HB       LEU  21  -1.164   4.654  -2.223
  151    HB3  LEU  21          1HB       LEU  21  -0.204   3.682  -1.165
  152    HG   LEU  21           HG       LEU  21  -0.353   5.980  -0.504
  153   HD11  LEU  21          1HD1      LEU  21   1.337   4.519   0.330
  154   HD12  LEU  21          2HD1      LEU  21   2.012   6.133   0.116
  155   HD13  LEU  21          3HD1      LEU  21   2.374   4.864  -1.051
  156   HD21  LEU  21          1HD2      LEU  21   1.137   7.650  -1.544
  157   HD22  LEU  21          2HD2      LEU  21  -0.172   7.155  -2.618
  158   HD23  LEU  21          3HD2      LEU  21   1.455   6.519  -2.860
  159    H    VAL  22           H        VAL  22   1.707   1.499  -2.905
  160    HA   VAL  22           HA       VAL  22  -0.888   0.218  -3.358
  161    HB   VAL  22           HB       VAL  22   0.015  -1.566  -4.663
  162   HG11  VAL  22          1HG1      VAL  22  -0.623   0.301  -5.974
  163   HG12  VAL  22          2HG1      VAL  22   0.790  -0.462  -6.706
  164   HG13  VAL  22          3HG1      VAL  22   0.968   1.036  -5.795
  165   HG21  VAL  22          1HG2      VAL  22   2.394  -1.680  -5.390
  166   HG22  VAL  22          2HG2      VAL  22   2.179  -1.881  -3.652
  167   HG23  VAL  22          3HG2      VAL  22   2.755  -0.345  -4.290
  168    H    CYS  23           H        CYS  23  -0.994  -1.964  -2.471
  169    HA   CYS  23           HA       CYS  23   0.387  -1.944   0.066
  170    HB2  CYS  23          2HB       CYS  23  -2.110  -2.339  -0.199
  171    HB3  CYS  23          1HB       CYS  23  -1.685  -3.912  -0.866
  172    H    SER  24           H        SER  24   2.279  -2.733  -0.040
  173    HA   SER  24           HA       SER  24   3.287  -4.613  -1.901
  174    HB2  SER  24          2HB       SER  24   4.647  -2.944  -0.798
  175    HB3  SER  24          1HB       SER  24   4.248  -3.626   0.768
  176    HG   SER  24           HG       SER  24   5.707  -4.875  -1.308
  177    H    ARG  25           H        ARG  25   3.636  -6.859  -1.636
  178    HA   ARG  25           HA       ARG  25   2.211  -8.071   0.575
  179    HB2  ARG  25          2HB       ARG  25   2.673 -10.247  -0.473
  180    HB3  ARG  25          1HB       ARG  25   1.957  -9.137  -1.628
  181    HG2  ARG  25          2HG       ARG  25   4.132  -8.754  -2.630
  182    HG3  ARG  25          1HG       ARG  25   4.870  -9.807  -1.413
  183    HD2  ARG  25          2HD       ARG  25   2.828 -10.635  -3.472
  184    HD3  ARG  25          1HD       ARG  25   4.558 -10.965  -3.545
  185    HE   ARG  25           HE       ARG  25   3.068 -11.946  -1.232
  186   HH11  ARG  25          1HH1      ARG  25   4.717 -12.747  -4.288
  187   HH12  ARG  25          2HH1      ARG  25   4.736 -14.421  -3.960
  188   HH21  ARG  25          1HH2      ARG  25   3.141 -14.233  -0.840
  189   HH22  ARG  25          2HH2      ARG  25   3.863 -15.272  -1.988
  190    H    LEU  26           H        LEU  26   5.289  -7.080  -0.184
  191    HA   LEU  26           HA       LEU  26   6.693  -8.757   1.686
  192    HB2  LEU  26          2HB       LEU  26   7.842  -7.890  -0.275
  193    HB3  LEU  26          1HB       LEU  26   7.494  -6.247   0.220
  194    HG   LEU  26           HG       LEU  26   8.946  -6.585   2.203
  195   HD11  LEU  26          1HD1      LEU  26   9.620  -9.198   0.868
  196   HD12  LEU  26          2HD1      LEU  26   8.789  -8.993   2.410
  197   HD13  LEU  26          3HD1      LEU  26  10.470  -8.494   2.243
  198   HD21  LEU  26          1HD2      LEU  26   9.794  -5.511   0.204
  199   HD22  LEU  26          2HD2      LEU  26  10.217  -7.081  -0.476
  200   HD23  LEU  26          3HD2      LEU  26  11.049  -6.491   0.963
  201    H    HIS  27           H        HIS  27   5.936  -5.309   1.475
  202    HA   HIS  27           HA       HIS  27   6.677  -4.877   4.230
  203    HB2  HIS  27          2HB       HIS  27   5.314  -2.978   2.302
  204    HB3  HIS  27          1HB       HIS  27   5.974  -2.553   3.865
  205    HD1  HIS  27          1HD       HIS  27   8.559  -2.214   4.010
  206    HD2  HIS  27          2HD       HIS  27   7.189  -3.405   0.274
  207    HE1  HIS  27          1HE       HIS  27  10.443  -1.759   2.407
  208    H    ARG  28           H        ARG  28   3.753  -5.406   2.444
  209    HA   ARG  28           HA       ARG  28   1.638  -5.745   2.952
  210    HB2  ARG  28          2HB       ARG  28   2.751  -6.285   5.704
  211    HB3  ARG  28          1HB       ARG  28   1.077  -6.598   5.252
  212    HG2  ARG  28          2HG       ARG  28   1.828  -8.136   3.519
  213    HG3  ARG  28          1HG       ARG  28   3.503  -7.811   3.952
  214    HD2  ARG  28          2HD       ARG  28   3.109  -8.728   6.169
  215    HD3  ARG  28          1HD       ARG  28   1.419  -9.021   5.748
  216    HE   ARG  28           HE       ARG  28   3.063 -10.239   3.852
  217   HH11  ARG  28          1HH1      ARG  28   2.158 -10.635   7.248
  218   HH12  ARG  28          2HH1      ARG  28   2.342 -12.324   7.253
  219   HH21  ARG  28          1HH2      ARG  28   3.327 -12.557   3.859
  220   HH22  ARG  28          2HH2      ARG  28   3.026 -13.442   5.275
  221    H    TRP  29           H        TRP  29   2.639  -3.136   2.972
  222    HA   TRP  29           HA       TRP  29   0.354  -1.900   4.185
  223    HB2  TRP  29          2HB       TRP  29   1.622  -0.032   5.158
  224    HB3  TRP  29          1HB       TRP  29   2.086  -1.543   5.908
  225    HD1  TRP  29           HD       TRP  29   3.540   0.518   2.894
  226    HE1  TRP  29          1HE       TRP  29   6.088   0.694   3.234
  227    HE3  TRP  29          3HE       TRP  29   3.964  -2.072   7.254
  228    HZ2  TRP  29          2HZ       TRP  29   8.003  -0.136   5.103
  229    HZ3  TRP  29          3HZ       TRP  29   6.201  -2.333   8.259
  230    HH2  TRP  29           HH       TRP  29   8.167  -1.386   7.203
  231    H    CYS  30           H        CYS  30   0.209   0.373   3.402
  232    HA   CYS  30           HA       CYS  30   0.512   0.465   0.568
  233    HB2  CYS  30          2HB       CYS  30  -0.196   2.603   2.568
  234    HB3  CYS  30          1HB       CYS  30  -0.304   2.818   0.834
  235    H    LYS  31           H        LYS  31   2.519   0.593  -0.222
  236    HA   LYS  31           HA       LYS  31   4.445   2.400   1.067
  237    HB2  LYS  31          2HB       LYS  31   6.191   1.205  -0.107
  238    HB3  LYS  31          1HB       LYS  31   5.200   0.056   0.778
  239    HG2  LYS  31          2HG       LYS  31   4.098  -0.584  -1.289
  240    HG3  LYS  31          1HG       LYS  31   5.008   0.636  -2.170
  241    HD2  LYS  31          2HD       LYS  31   6.231  -1.733  -0.733
  242    HD3  LYS  31          1HD       LYS  31   5.900  -1.675  -2.462
  243    HE2  LYS  31          2HE       LYS  31   8.173  -1.184  -2.342
  244    HE3  LYS  31          1HE       LYS  31   7.452   0.418  -2.412
  245    HZ1  LYS  31          1HZ       LYS  31   8.509  -0.963   0.016
  246    HZ2  LYS  31          2HZ       LYS  31   7.702   0.515   0.070
  247    HZ3  LYS  31          3HZ       LYS  31   9.139   0.397  -0.747
  248    H    TYR  32           H        TYR  32   5.739   3.807  -0.258
  249    HA   TYR  32           HA       TYR  32   4.220   4.991  -2.403
  250    HB2  TYR  32          2HB       TYR  32   6.951   5.732  -1.296
  251    HB3  TYR  32          1HB       TYR  32   5.973   6.719  -2.379
  252    HD1  TYR  32          1HD       TYR  32   3.716   7.522  -1.536
  253    HD2  TYR  32          2HD       TYR  32   6.672   5.884   1.033
  254    HE1  TYR  32          1HE       TYR  32   2.570   8.492   0.371
  255    HE2  TYR  32          2HE       TYR  32   5.559   6.861   2.961
  256    HH   TYR  32           HH       TYR  32   4.060   8.682   3.457
  257    H    VAL  33           H        VAL  33   4.400   4.312  -4.405
  258    HA   VAL  33           HA       VAL  33   6.590   2.535  -5.035
  259    HB   VAL  33           HB       VAL  33   4.132   3.135  -6.669
  260   HG11  VAL  33          1HG1      VAL  33   5.960   2.177  -7.946
  261   HG12  VAL  33          2HG1      VAL  33   4.657   1.001  -7.751
  262   HG13  VAL  33          3HG1      VAL  33   6.113   0.872  -6.770
  263   HG21  VAL  33          1HG2      VAL  33   3.493   2.243  -4.505
  264   HG22  VAL  33          2HG2      VAL  33   4.628   0.907  -4.711
  265   HG23  VAL  33          3HG2      VAL  33   3.233   1.056  -5.783
  266    H    PHE  34           H        PHE  34   8.250   3.309  -5.936
  267    HA   PHE  34           HA       PHE  34   7.991   5.351  -8.009
  268    HB2  PHE  34          2HB       PHE  34  10.297   4.884  -6.087
  269    HB3  PHE  34          1HB       PHE  34  10.364   5.970  -7.464
  270    HD1  PHE  34          1HD       PHE  34   9.152   8.076  -7.443
  271    HD2  PHE  34          2HD       PHE  34   9.089   5.470  -4.084
  272    HE1  PHE  34          1HE       PHE  34   8.304   9.911  -6.041
  273    HE2  PHE  34          2HE       PHE  34   8.243   7.295  -2.676
  274    HZ   PHE  34           HZ       PHE  34   7.848   9.521  -3.649
  Start of MODEL   20
    1    H1   ASP   1          1HT       ASP   1  -9.794  11.418  -1.621
    2    H2   ASP   1          2HT       ASP   1 -10.949  11.548  -0.392
    3    H3   ASP   1          3HT       ASP   1 -10.634  10.054  -1.142
    4    HA   ASP   1           HA       ASP   1  -8.676  11.568   0.448
    5    HB2  ASP   1          2HB       ASP   1 -10.193   9.029   1.089
    6    HB3  ASP   1          1HB       ASP   1  -8.832   9.639   2.016
    7    H    CYS   2           H        CYS   2  -6.696  11.097  -0.186
    8    HA   CYS   2           HA       CYS   2  -6.297   8.691  -1.752
    9    HB2  CYS   2          2HB       CYS   2  -5.334  10.879  -2.522
   10    HB3  CYS   2          1HB       CYS   2  -4.319  10.889  -1.077
   11    H    LEU   3           H        LEU   3  -5.834   6.904  -0.646
   12    HA   LEU   3           HA       LEU   3  -4.790   7.207   2.065
   13    HB2  LEU   3          2HB       LEU   3  -5.967   4.766   0.766
   14    HB3  LEU   3          1HB       LEU   3  -5.574   4.970   2.456
   15    HG   LEU   3           HG       LEU   3  -7.753   6.360   0.930
   16   HD11  LEU   3          1HD1      LEU   3  -8.211   4.039   1.405
   17   HD12  LEU   3          2HD1      LEU   3  -9.231   5.082   2.401
   18   HD13  LEU   3          3HD1      LEU   3  -7.826   4.286   3.109
   19   HD21  LEU   3          1HD2      LEU   3  -6.978   6.622   3.842
   20   HD22  LEU   3          2HD2      LEU   3  -8.436   7.291   3.111
   21   HD23  LEU   3          3HD2      LEU   3  -6.852   7.877   2.608
   22    H    GLY   4           H        GLY   4  -3.242   5.686   2.819
   23    HA2  GLY   4          2HA       GLY   4  -1.706   3.914   1.439
   24    HA3  GLY   4          1HA       GLY   4  -0.965   5.487   1.137
   25    H    ALA   5           H        ALA   5   0.106   6.511   2.679
   26    HA   ALA   5           HA       ALA   5   1.393   6.812   4.516
   27    HB1  ALA   5          1HB       ALA   5  -0.767   7.822   5.059
   28    HB2  ALA   5          2HB       ALA   5   0.134   7.286   6.480
   29    HB3  ALA   5          3HB       ALA   5  -1.228   6.332   5.891
   30    H    PHE   6           H        PHE   6   1.523   4.003   3.760
   31    HA   PHE   6           HA       PHE   6   2.399   2.082   4.474
   32    HB2  PHE   6          2HB       PHE   6   3.153   3.680   6.939
   33    HB3  PHE   6          1HB       PHE   6   3.839   2.125   6.481
   34    HD1  PHE   6          1HD       PHE   6   3.893   5.700   5.935
   35    HD2  PHE   6          2HD       PHE   6   5.239   1.953   4.448
   36    HE1  PHE   6          1HE       PHE   6   5.583   6.855   4.567
   37    HE2  PHE   6          2HE       PHE   6   6.926   3.098   3.079
   38    HZ   PHE   6           HZ       PHE   6   7.102   5.548   3.136
   39    H    ARG   7           H        ARG   7  -0.389   2.674   5.074
   40    HA   ARG   7           HA       ARG   7  -1.133   1.558   7.571
   41    HB2  ARG   7          2HB       ARG   7  -2.595   1.942   4.978
   42    HB3  ARG   7          1HB       ARG   7  -3.340   1.102   6.325
   43    HG2  ARG   7          2HG       ARG   7  -2.275   3.913   6.444
   44    HG3  ARG   7          1HG       ARG   7  -3.962   3.490   6.152
   45    HD2  ARG   7          2HD       ARG   7  -2.355   2.829   8.632
   46    HD3  ARG   7          1HD       ARG   7  -3.630   4.036   8.484
   47    HE   ARG   7           HE       ARG   7  -4.626   1.538   7.711
   48   HH11  ARG   7          1HH1      ARG   7  -3.695   3.264  10.684
   49   HH12  ARG   7          2HH1      ARG   7  -4.628   2.277  11.708
   50   HH21  ARG   7          1HH2      ARG   7  -5.884   0.221   9.090
   51   HH22  ARG   7          2HH2      ARG   7  -5.925   0.487  10.776
   52    H    LYS   8           H        LYS   8  -1.704  -0.481   8.164
   53    HA   LYS   8           HA       LYS   8  -0.548  -2.607   6.636
   54    HB2  LYS   8          2HB       LYS   8  -2.215  -2.717   9.159
   55    HB3  LYS   8          1HB       LYS   8  -1.271  -4.042   8.490
   56    HG2  LYS   8          2HG       LYS   8   0.773  -2.768   8.827
   57    HG3  LYS   8          1HG       LYS   8  -0.159  -1.436   9.487
   58    HD2  LYS   8          2HD       LYS   8  -0.941  -2.884  11.298
   59    HD3  LYS   8          1HD       LYS   8   0.017  -4.213  10.640
   60    HE2  LYS   8          2HE       LYS   8   1.088  -1.578  11.643
   61    HE3  LYS   8          1HE       LYS   8   1.172  -3.114  12.498
   62    HZ1  LYS   8          1HZ       LYS   8   2.497  -2.468   9.914
   63    HZ2  LYS   8          2HZ       LYS   8   2.505  -3.980  10.635
   64    HZ3  LYS   8          3HZ       LYS   8   3.259  -2.695  11.399
   65    H    CYS   9           H        CYS   9  -1.528  -3.192   4.924
   66    HA   CYS   9           HA       CYS   9  -4.449  -3.251   4.754
   67    HB2  CYS   9          2HB       CYS   9  -3.732  -3.084   2.272
   68    HB3  CYS   9          1HB       CYS   9  -3.670  -1.648   3.302
   69    H    ILE  10           H        ILE  10  -5.171  -4.775   3.034
   70    HA   ILE  10           HA       ILE  10  -3.883  -7.373   3.185
   71    HB   ILE  10           HB       ILE  10  -6.380  -6.469   1.692
   72   HG12  ILE  10          2HG1      ILE  10  -6.190  -7.902   4.353
   73   HG13  ILE  10          1HG1      ILE  10  -6.614  -6.208   4.139
   74   HG21  ILE  10          1HG2      ILE  10  -5.416  -8.488   0.741
   75   HG22  ILE  10          2HG2      ILE  10  -6.928  -8.868   1.564
   76   HG23  ILE  10          3HG2      ILE  10  -5.387  -9.251   2.331
   77   HD11  ILE  10          1HD1      ILE  10  -8.591  -7.548   4.517
   78   HD12  ILE  10          2HD1      ILE  10  -8.180  -8.576   3.144
   79   HD13  ILE  10          3HD1      ILE  10  -8.606  -6.886   2.882
   80    HA   PRO  11           HA       PRO  11  -1.500  -6.016  -0.385
   81    HB2  PRO  11          2HB       PRO  11  -1.164  -8.939  -0.796
   82    HB3  PRO  11          1HB       PRO  11   0.054  -7.662  -0.704
   83    HG2  PRO  11          2HG       PRO  11  -0.329  -9.334   1.331
   84    HG3  PRO  11          1HG       PRO  11   0.030  -7.616   1.609
   85    HD2  PRO  11          2HD       PRO  11  -2.562  -9.078   1.840
   86    HD3  PRO  11          1HD       PRO  11  -1.914  -7.742   2.811
   87    H    ASP  12           H        ASP  12  -3.938  -8.547  -0.672
   88    HA   ASP  12           HA       ASP  12  -4.087  -8.051  -3.538
   89    HB2  ASP  12          2HB       ASP  12  -5.457 -10.145  -1.865
   90    HB3  ASP  12          1HB       ASP  12  -5.913  -9.846  -3.536
   91    H    ASN  13           H        ASN  13  -5.417  -6.593  -0.948
   92    HA   ASN  13           HA       ASN  13  -7.231  -5.195  -2.644
   93    HB2  ASN  13          2HB       ASN  13  -8.747  -7.037  -1.872
   94    HB3  ASN  13          1HB       ASN  13  -8.421  -6.572  -0.208
   95   HD21  ASN  13          1HD2      ASN  13 -10.004  -5.624  -3.179
   96   HD22  ASN  13          2HD2      ASN  13 -11.008  -4.406  -2.481
   97    H    ASP  14           H        ASP  14  -5.474  -3.779  -2.057
   98    HA   ASP  14           HA       ASP  14  -5.774  -2.741   0.617
   99    HB2  ASP  14          2HB       ASP  14  -3.853  -1.336   0.218
  100    HB3  ASP  14          1HB       ASP  14  -3.503  -2.976  -0.274
  101    H    LYS  15           H        LYS  15  -6.127  -0.487   0.908
  102    HA   LYS  15           HA       LYS  15  -7.592   0.642  -1.338
  103    HB2  LYS  15          2HB       LYS  15  -8.182   0.914   1.627
  104    HB3  LYS  15          1HB       LYS  15  -9.013   1.811   0.365
  105    HG2  LYS  15          2HG       LYS  15  -9.914  -0.245  -0.557
  106    HG3  LYS  15          1HG       LYS  15  -9.011  -1.196   0.621
  107    HD2  LYS  15          2HD       LYS  15 -10.288  -0.199   2.429
  108    HD3  LYS  15          1HD       LYS  15 -11.145   0.829   1.280
  109    HE2  LYS  15          2HE       LYS  15 -12.519  -1.080   1.918
  110    HE3  LYS  15          1HE       LYS  15 -12.088  -1.156   0.211
  111    HZ1  LYS  15          1HZ       LYS  15 -11.955  -3.280   1.389
  112    HZ2  LYS  15          2HZ       LYS  15 -10.732  -2.710   2.368
  113    HZ3  LYS  15          3HZ       LYS  15 -10.479  -2.896   0.709
  114    H    CYS  16           H        CYS  16  -5.728   1.563  -2.056
  115    HA   CYS  16           HA       CYS  16  -4.813   3.900  -0.679
  116    HB2  CYS  16          2HB       CYS  16  -2.981   1.595  -1.494
  117    HB3  CYS  16          1HB       CYS  16  -2.433   3.188  -0.998
  118    H    CYS  17           H        CYS  17  -3.418   5.132  -2.252
  119    HA   CYS  17           HA       CYS  17  -4.775   5.107  -4.763
  120    HB2  CYS  17          2HB       CYS  17  -2.479   6.849  -3.893
  121    HB3  CYS  17          1HB       CYS  17  -3.526   7.100  -5.289
  122    H    ARG  18           H        ARG  18  -4.128   3.070  -5.613
  123    HA   ARG  18           HA       ARG  18  -1.406   2.626  -6.401
  124    HB2  ARG  18          2HB       ARG  18  -3.984   1.295  -7.251
  125    HB3  ARG  18          1HB       ARG  18  -2.415   0.804  -7.857
  126    HG2  ARG  18          2HG       ARG  18  -1.762   0.279  -5.502
  127    HG3  ARG  18          1HG       ARG  18  -3.424   0.637  -5.026
  128    HD2  ARG  18          2HD       ARG  18  -4.267  -1.094  -6.464
  129    HD3  ARG  18          1HD       ARG  18  -2.658  -1.409  -7.103
  130    HE   ARG  18           HE       ARG  18  -2.904  -1.737  -4.245
  131   HH11  ARG  18          1HH1      ARG  18  -3.261  -3.417  -7.364
  132   HH12  ARG  18          2HH1      ARG  18  -2.974  -4.949  -6.709
  133   HH21  ARG  18          1HH2      ARG  18  -2.534  -3.719  -3.400
  134   HH22  ARG  18          2HH2      ARG  18  -2.511  -5.181  -4.306
  135    HA   PRO  19           HA       PRO  19  -0.400   1.642  -8.035
  136    HB2  PRO  19          2HB       PRO  19   1.326   1.882 -10.025
  137    HB3  PRO  19          1HB       PRO  19  -0.279   1.204 -10.313
  138    HG2  PRO  19          2HG       PRO  19   0.785   3.888 -11.014
  139    HG3  PRO  19          1HG       PRO  19  -0.416   2.902 -11.863
  140    HD2  PRO  19          2HD       PRO  19  -0.901   5.052 -10.059
  141    HD3  PRO  19          1HD       PRO  19  -2.103   3.962 -10.775
  142    H    ASN  20           H        ASN  20  -0.333   4.648  -7.256
  143    HA   ASN  20           HA       ASN  20   2.517   5.168  -7.194
  144    HB2  ASN  20          2HB       ASN  20   0.160   6.730  -6.127
  145    HB3  ASN  20          1HB       ASN  20   1.825   7.239  -5.901
  146   HD21  ASN  20          1HD2      ASN  20   2.739   6.445  -8.544
  147   HD22  ASN  20          2HD2      ASN  20   2.038   7.567  -9.637
  148    H    LEU  21           H        LEU  21  -0.067   4.443  -4.947
  149    HA   LEU  21           HA       LEU  21   1.908   3.753  -2.884
  150    HB2  LEU  21          2HB       LEU  21  -1.013   4.496  -2.480
  151    HB3  LEU  21          1HB       LEU  21   0.241   4.272  -1.273
  152    HG   LEU  21           HG       LEU  21   0.325   6.516  -3.288
  153   HD11  LEU  21          1HD1      LEU  21  -0.491   6.630  -0.396
  154   HD12  LEU  21          2HD1      LEU  21  -1.586   6.780  -1.767
  155   HD13  LEU  21          3HD1      LEU  21  -0.334   7.994  -1.501
  156   HD21  LEU  21          1HD2      LEU  21   2.484   5.839  -2.444
  157   HD22  LEU  21          2HD2      LEU  21   1.893   5.961  -0.786
  158   HD23  LEU  21          3HD2      LEU  21   2.023   7.408  -1.785
  159    H    VAL  22           H        VAL  22   1.984   1.625  -2.600
  160    HA   VAL  22           HA       VAL  22  -0.361   0.015  -3.357
  161    HB   VAL  22           HB       VAL  22   2.492  -0.651  -4.152
  162   HG11  VAL  22          1HG1      VAL  22  -0.084  -2.032  -4.856
  163   HG12  VAL  22          2HG1      VAL  22   1.169  -2.628  -3.768
  164   HG13  VAL  22          3HG1      VAL  22   1.512  -2.440  -5.488
  165   HG21  VAL  22          1HG2      VAL  22   1.675   1.220  -5.494
  166   HG22  VAL  22          2HG2      VAL  22   0.242   0.292  -5.938
  167   HG23  VAL  22          3HG2      VAL  22   1.837  -0.238  -6.469
  168    H    CYS  23           H        CYS  23  -0.677  -1.769  -2.068
  169    HA   CYS  23           HA       CYS  23   0.774  -1.963   0.376
  170    HB2  CYS  23          2HB       CYS  23  -1.665  -2.447  -0.068
  171    HB3  CYS  23          1HB       CYS  23  -1.155  -3.962  -0.804
  172    H    SER  24           H        SER  24   2.823  -2.594   0.184
  173    HA   SER  24           HA       SER  24   3.830  -4.315  -1.813
  174    HB2  SER  24          2HB       SER  24   5.239  -2.676  -0.763
  175    HB3  SER  24          1HB       SER  24   4.936  -3.369   0.826
  176    HG   SER  24           HG       SER  24   6.565  -4.272  -1.265
  177    H    ARG  25           H        ARG  25   4.328  -6.450  -1.770
  178    HA   ARG  25           HA       ARG  25   2.937  -8.226  -0.008
  179    HB2  ARG  25          2HB       ARG  25   5.171  -8.764  -1.990
  180    HB3  ARG  25          1HB       ARG  25   4.172  -9.991  -1.230
  181    HG2  ARG  25          2HG       ARG  25   3.072  -7.816  -2.985
  182    HG3  ARG  25          1HG       ARG  25   3.546  -9.408  -3.580
  183    HD2  ARG  25          2HD       ARG  25   1.914 -10.485  -2.272
  184    HD3  ARG  25          1HD       ARG  25   1.580  -9.032  -1.334
  185    HE   ARG  25           HE       ARG  25   0.985  -8.246  -3.789
  186   HH11  ARG  25          1HH1      ARG  25   0.042 -11.212  -2.094
  187   HH12  ARG  25          2HH1      ARG  25  -1.553 -11.213  -2.721
  188   HH21  ARG  25          1HH2      ARG  25  -1.157  -8.304  -4.671
  189   HH22  ARG  25          2HH2      ARG  25  -2.212  -9.600  -4.288
  190    H    LEU  26           H        LEU  26   6.136  -6.975  -0.337
  191    HA   LEU  26           HA       LEU  26   7.398  -8.718   1.556
  192    HB2  LEU  26          2HB       LEU  26   8.329  -6.091   0.429
  193    HB3  LEU  26          1HB       LEU  26   9.317  -7.252   1.282
  194    HG   LEU  26           HG       LEU  26   8.033  -7.679  -1.409
  195   HD11  LEU  26          1HD1      LEU  26  10.907  -7.228  -0.643
  196   HD12  LEU  26          2HD1      LEU  26   9.848  -6.049  -1.413
  197   HD13  LEU  26          3HD1      LEU  26  10.287  -7.525  -2.269
  198   HD21  LEU  26          1HD2      LEU  26   9.932  -9.420   0.170
  199   HD22  LEU  26          2HD2      LEU  26   9.410  -9.713  -1.487
  200   HD23  LEU  26          3HD2      LEU  26   8.238  -9.776  -0.172
  201    H    HIS  27           H        HIS  27   6.561  -5.275   1.506
  202    HA   HIS  27           HA       HIS  27   7.307  -5.014   4.280
  203    HB2  HIS  27          2HB       HIS  27   6.210  -2.977   2.342
  204    HB3  HIS  27          1HB       HIS  27   6.671  -2.621   3.999
  205    HD1  HIS  27          1HD       HIS  27   9.172  -2.243   4.457
  206    HD2  HIS  27          2HD       HIS  27   8.375  -3.648   0.624
  207    HE1  HIS  27          1HE       HIS  27  11.305  -2.040   3.201
  208    H    ARG  28           H        ARG  28   4.496  -5.803   2.640
  209    HA   ARG  28           HA       ARG  28   2.364  -5.974   3.085
  210    HB2  ARG  28          2HB       ARG  28   1.741  -7.009   5.276
  211    HB3  ARG  28          1HB       ARG  28   3.071  -7.796   4.463
  212    HG2  ARG  28          2HG       ARG  28   4.642  -6.720   5.994
  213    HG3  ARG  28          1HG       ARG  28   3.296  -5.913   6.797
  214    HD2  ARG  28          2HD       ARG  28   3.985  -7.864   8.040
  215    HD3  ARG  28          1HD       ARG  28   2.363  -8.081   7.389
  216    HE   ARG  28           HE       ARG  28   4.596  -9.162   5.867
  217   HH11  ARG  28          1HH1      ARG  28   1.785  -9.768   7.905
  218   HH12  ARG  28          2HH1      ARG  28   1.814 -11.451   7.731
  219   HH21  ARG  28          1HH2      ARG  28   4.678 -11.443   5.605
  220   HH22  ARG  28          2HH2      ARG  28   3.543 -12.451   6.366
  221    H    TRP  29           H        TRP  29   3.061  -3.399   3.021
  222    HA   TRP  29           HA       TRP  29   0.754  -2.276   4.230
  223    HB2  TRP  29          2HB       TRP  29   1.903  -0.341   5.274
  224    HB3  TRP  29          1HB       TRP  29   2.316  -1.843   6.069
  225    HD1  TRP  29           HD       TRP  29   4.059  -0.152   3.006
  226    HE1  TRP  29          1HE       TRP  29   6.573   0.188   3.625
  227    HE3  TRP  29          3HE       TRP  29   3.975  -1.825   7.821
  228    HZ2  TRP  29          2HZ       TRP  29   8.221  -0.172   5.828
  229    HZ3  TRP  29          3HZ       TRP  29   6.058  -1.781   9.120
  230    HH2  TRP  29           HH       TRP  29   8.137  -0.968   8.134
  231    H    CYS  30           H        CYS  30   0.356  -0.102   3.357
  232    HA   CYS  30           HA       CYS  30   1.026   0.013   0.581
  233    HB2  CYS  30          2HB       CYS  30  -0.463   1.884   2.377
  234    HB3  CYS  30          1HB       CYS  30  -0.198   2.240   0.683
  235    H    LYS  31           H        LYS  31   2.972   0.436   0.025
  236    HA   LYS  31           HA       LYS  31   4.340   2.690   1.310
  237    HB2  LYS  31          2HB       LYS  31   6.424   1.643   0.895
  238    HB3  LYS  31          1HB       LYS  31   5.394   0.389   1.524
  239    HG2  LYS  31          2HG       LYS  31   5.067  -0.510  -0.710
  240    HG3  LYS  31          1HG       LYS  31   6.042   0.793  -1.389
  241    HD2  LYS  31          2HD       LYS  31   7.020  -1.273   0.591
  242    HD3  LYS  31          1HD       LYS  31   7.319  -1.314  -1.140
  243    HE2  LYS  31          2HE       LYS  31   8.260   0.892   0.726
  244    HE3  LYS  31          1HE       LYS  31   9.241  -0.464   0.196
  245    HZ1  LYS  31          1HZ       LYS  31   9.010   0.338  -2.091
  246    HZ2  LYS  31          2HZ       LYS  31   9.713   1.488  -1.112
  247    HZ3  LYS  31          3HZ       LYS  31   8.119   1.673  -1.574
  248    H    TYR  32           H        TYR  32   5.963   3.693  -0.227
  249    HA   TYR  32           HA       TYR  32   4.599   4.444  -2.660
  250    HB2  TYR  32          2HB       TYR  32   7.205   5.360  -1.391
  251    HB3  TYR  32          1HB       TYR  32   6.548   6.018  -2.879
  252    HD1  TYR  32          1HD       TYR  32   5.660   5.532   0.728
  253    HD2  TYR  32          2HD       TYR  32   5.184   7.876  -2.782
  254    HE1  TYR  32          1HE       TYR  32   4.397   7.180   2.016
  255    HE2  TYR  32          2HE       TYR  32   3.916   9.540  -1.508
  256    HH   TYR  32           HH       TYR  32   2.579   9.636   0.575
  257    H    VAL  33           H        VAL  33   5.182   3.643  -4.624
  258    HA   VAL  33           HA       VAL  33   7.430   1.829  -4.573
  259    HB   VAL  33           HB       VAL  33   6.484   0.749  -6.589
  260   HG11  VAL  33          1HG1      VAL  33   4.601   0.874  -4.240
  261   HG12  VAL  33          2HG1      VAL  33   6.000  -0.186  -4.404
  262   HG13  VAL  33          3HG1      VAL  33   4.614  -0.386  -5.474
  263   HG21  VAL  33          1HG2      VAL  33   4.173   1.221  -7.261
  264   HG22  VAL  33          2HG2      VAL  33   5.214   2.627  -7.486
  265   HG23  VAL  33          3HG2      VAL  33   4.115   2.553  -6.110
  266    H    PHE  34           H        PHE  34   9.020   2.047  -5.781
  267    HA   PHE  34           HA       PHE  34   9.153   4.309  -7.649
  268    HB2  PHE  34          2HB       PHE  34  11.362   3.166  -5.898
  269    HB3  PHE  34          1HB       PHE  34  11.549   4.487  -7.044
  270    HD1  PHE  34          1HD       PHE  34  10.844   6.691  -6.491
  271    HD2  PHE  34          2HD       PHE  34  10.129   3.485  -3.808
  272    HE1  PHE  34          1HE       PHE  34  10.291   8.301  -4.718
  273    HE2  PHE  34          2HE       PHE  34   9.572   5.084  -2.033
  274    HZ   PHE  34           HZ       PHE  34   9.653   7.498  -2.482