*HEADER    HYDROLASE INHIBITOR                     12-MAR-13   2M5X              
*TITLE     NOVEL METHOD OF PROTEIN PURIFICATION FOR STRUCTURAL RESEARCH. EXAMPLE 
*TITLE    2 OF ULTRA HIGH RESOLUTION STRUCTURE OF SPI-2 INHIBITOR BY X-RAY AND   
*TITLE    3 NMR SPECTROSCOPY.                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SILK PROTEASE INHIBITOR 2;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: GALLERIA MELLONELLA;                            
*SOURCE   3 ORGANISM_COMMON: GREATER WAX MOTH;                                   
*SOURCE   4 ORGANISM_TAXID: 7137;                                                
*SOURCE   5 EXPRESSION_SYSTEM: PICHIA PASTORIS;                                  
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 4922;                                       
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PPICZALFAB                                 
*KEYWDS    SERINE PROTEASE INHIBITOR, KAZAL FAMILY, SPI-2, HYDROLASE INHIBITOR   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    17                                                                    
*AUTHOR    M.LENARCIC ZIVKOVIC, A.DVORNYK, B.KLUDKIEWICZ, E.KOPERA, W.ZAGORSKI-  
*AUTHOR   2 OSTOJA, K.GRZELAK, I.ZHUKOV, W.BAL                                   
*REVDAT   1   12-MAR-14 2M5X    0                                                


assign ( resid   35 and name HA   ) ( resid   35 and name HD2  )    4.67    4.67    0.00
assign ( resid   25 and name HA   ) ( resid   28 and name HB1  )    4.69    4.69    0.00
assign ( resid   28 and name HB1  ) ( resid   29 and name HA   )    5.05    5.05    0.00
assign ( resid    9 and name HE1  ) ( resid   11 and name HD2  )    4.84    4.84    0.00
assign ( resid    9 and name HE1  ) ( resid   11 and name HG2  )    4.26    4.26    0.00
assign ( resid    9 and name HE1  ) ( resid   11 and name HD1  )    4.70    4.70    0.00
assign ( resid   14 and name HN   ) ( resid   18 and name HN   )    4.80    4.80    0.00
assign ( resid   14 and name HN   ) ( resid   20 and name HD2  )    3.91    3.91    0.00
assign ( resid   13 and name HA   ) ( resid   14 and name HN   )    3.16    3.16    0.00
assign ( resid   14 and name HN   ) ( resid   19 and name HA   )    4.62    4.62    0.00
assign ( resid   13 and name HB2  ) ( resid   14 and name HN   )    4.97    4.97    0.00
assign ( resid   14 and name HN   ) ( resid   26 and name HD2* )    4.58    4.58    0.00
assign ( resid   14 and name HN   ) ( resid   15 and name HN   )    5.42    5.42    0.00
assign ( resid   14 and name HN   ) ( resid   20 and name HN   )    5.06    5.06    0.00
assign ( resid   12 and name HN   ) ( resid   20 and name HN   )    4.11    4.11    0.00
assign ( resid   20 and name HN   ) ( resid   20 and name HD2  )    3.85    3.85    0.00
assign ( resid   13 and name HA   ) ( resid   20 and name HN   )    4.33    4.33    0.00
assign ( resid   19 and name HA   ) ( resid   20 and name HN   )    3.04    3.04    0.00
assign ( resid   35 and name HA   ) ( resid   36 and name HN   )    3.29    3.29    0.00
assign ( resid   19 and name HB   ) ( resid   20 and name HN   )    4.94    4.94    0.00
assign ( resid   20 and name HN   ) ( resid   20 and name HB1  )    4.15    4.15    0.00
assign ( resid   20 and name HN   ) ( resid   20 and name HB2  )    3.68    3.68    0.00
assign ( resid   36 and name HN   ) ( resid   36 and name HG1  )    4.02    4.02    0.00
assign ( resid   36 and name HN   ) ( resid   36 and name HG2  )    4.02    4.02    0.00
assign ( resid   36 and name HN   ) ( resid   36 and name HB1  )    3.89    3.89    0.00
assign ( resid   36 and name HN   ) ( resid   36 and name HB2  )    3.89    3.89    0.00
assign ( resid   19 and name HG2* ) ( resid   20 and name HN   )    3.66    3.66    0.00
assign ( resid   12 and name HG2* ) ( resid   20 and name HN   )    4.53    4.53    0.00
assign ( resid   26 and name HD2* ) ( resid   34 and name HN   )    5.46    5.46    0.00
assign ( resid   33 and name HG   ) ( resid   34 and name HN   )    4.16    4.16    0.00
assign ( resid   15 and name HG1  ) ( resid   34 and name HN   )    4.79    4.79    0.00
assign ( resid   33 and name HB1  ) ( resid   34 and name HN   )    5.11    5.11    0.00
assign ( resid   33 and name HB2  ) ( resid   34 and name HN   )    5.11    5.11    0.00
assign ( resid   34 and name HN   ) ( resid   34 and name HB2  )    3.70    3.70    0.00
assign ( resid   34 and name HN   ) ( resid   34 and name HB1  )    3.57    3.57    0.00
assign ( resid   20 and name HB2  ) ( resid   21 and name HN   )    4.29    4.29    0.00
assign ( resid   20 and name HB1  ) ( resid   21 and name HN   )    3.97    3.97    0.00
assign ( resid   33 and name HA   ) ( resid   34 and name HN   )    3.05    3.05    0.00
assign ( resid   14 and name HA1  ) ( resid   34 and name HN   )    5.17    5.17    0.00
assign ( resid   15 and name HA   ) ( resid   34 and name HN   )    5.04    5.04    0.00
assign ( resid   20 and name HA   ) ( resid   21 and name HN   )    3.10    3.10    0.00
assign ( resid   14 and name HA2  ) ( resid   34 and name HN   )    4.02    4.02    0.00
assign ( resid   20 and name HD1  ) ( resid   21 and name HN   )    4.52    4.52    0.00
assign ( resid   34 and name HN   ) ( resid   35 and name HN   )    3.62    3.62    0.00
assign ( resid   21 and name HN   ) ( resid   22 and name HN   )    3.90    3.90    0.00
assign ( resid   33 and name HN   ) ( resid   34 and name HN   )    5.48    5.48    0.00
assign ( resid   15 and name HN   ) ( resid   34 and name HN   )    4.75    4.75    0.00
assign ( resid   12 and name HG2* ) ( resid   23 and name HN   )    5.20    5.20    0.00
assign ( resid   15 and name HN   ) ( resid   26 and name HD1* )    5.50    5.50    0.00
assign ( resid   15 and name HN   ) ( resid   26 and name HD2* )    4.76    4.76    0.00
assign ( resid   12 and name HG1* ) ( resid   23 and name HN   )    5.15    5.15    0.00
assign ( resid   15 and name HN   ) ( resid   31 and name HG2* )    5.04    5.04    0.00
assign ( resid   15 and name HN   ) ( resid   31 and name HG1* )    3.79    3.79    0.00
assign ( resid   10 and name HN   ) ( resid   11 and name HD1  )    4.22    4.22    0.00
assign ( resid   15 and name HN   ) ( resid   15 and name HG1  )    3.52    3.52    0.00
assign ( resid   15 and name HN   ) ( resid   15 and name HB2  )    3.26    3.26    0.00
assign ( resid   23 and name HN   ) ( resid   23 and name HB1  )    3.52    3.52    0.00
assign ( resid   23 and name HN   ) ( resid   23 and name HB2  )    3.52    3.52    0.00
assign ( resid   15 and name HN   ) ( resid   15 and name HB1  )    3.65    3.65    0.00
assign ( resid    8 and name HB1  ) ( resid    9 and name HN   )    4.37    4.37    0.00
assign ( resid    8 and name HB2  ) ( resid    9 and name HN   )    4.37    4.37    0.00
assign ( resid    8 and name HG1  ) ( resid    9 and name HN   )    4.79    4.79    0.00
assign ( resid    8 and name HG2  ) ( resid    9 and name HN   )    4.79    4.79    0.00
assign ( resid   10 and name HN   ) ( resid   10 and name HB1  )    4.13    4.13    0.00
assign ( resid   10 and name HN   ) ( resid   10 and name HB2  )    4.13    4.13    0.00
assign ( resid   10 and name HN   ) ( resid   22 and name HB2  )    4.69    4.69    0.00
assign ( resid   22 and name HB2  ) ( resid   23 and name HN   )    3.36    3.36    0.00
assign ( resid    9 and name HN   ) ( resid    9 and name HB1  )    3.37    3.37    0.00
assign ( resid    9 and name HN   ) ( resid    9 and name HB2  )    3.37    3.37    0.00
assign ( resid   10 and name HN   ) ( resid   22 and name HB1  )    3.93    3.93    0.00
assign ( resid   22 and name HB1  ) ( resid   23 and name HN   )    3.76    3.76    0.00
assign ( resid   15 and name HN   ) ( resid   32 and name HA1  )    5.04    5.04    0.00
assign ( resid   10 and name HN   ) ( resid   21 and name HA   )    5.22    5.22    0.00
assign ( resid   15 and name HN   ) ( resid   33 and name HA   )    4.79    4.79    0.00
assign ( resid   10 and name HN   ) ( resid   11 and name HA   )    4.59    4.59    0.00
assign ( resid    8 and name HA   ) ( resid    9 and name HN   )    2.97    2.97    0.00
assign ( resid   14 and name HA2  ) ( resid   15 and name HN   )    3.37    3.37    0.00
assign ( resid   10 and name HN   ) ( resid   22 and name HA   )    4.39    4.39    0.00
assign ( resid    9 and name HA   ) ( resid   10 and name HN   )    3.06    3.06    0.00
assign ( resid   22 and name HA   ) ( resid   23 and name HN   )    3.40    3.40    0.00
assign ( resid    9 and name HN   ) ( resid    9 and name HD1  )    5.27    5.27    0.00
assign ( resid    9 and name HE3  ) ( resid   10 and name HN   )    4.63    4.63    0.00
assign ( resid    8 and name HN   ) ( resid    9 and name HN   )    5.50    5.50    0.00
assign ( resid   15 and name HN   ) ( resid   17 and name HN   )    4.68    4.68    0.00
assign ( resid   23 and name HN   ) ( resid   24 and name HN   )    4.64    4.64    0.00
assign ( resid   15 and name HN   ) ( resid   16 and name HN   )    4.28    4.28    0.00
assign ( resid   26 and name HD1* ) ( resid   33 and name HN   )    4.27    4.27    0.00
assign ( resid   31 and name HG2* ) ( resid   32 and name HN   )    4.52    4.52    0.00
assign ( resid   31 and name HG1* ) ( resid   32 and name HN   )    3.95    3.95    0.00
assign ( resid   33 and name HN   ) ( resid   33 and name HG   )    4.74    4.74    0.00
assign ( resid   33 and name HN   ) ( resid   33 and name HB1  )    3.40    3.40    0.00
assign ( resid   15 and name HG2  ) ( resid   32 and name HN   )    5.50    5.50    0.00
assign ( resid   15 and name HG1  ) ( resid   32 and name HN   )    5.50    5.50    0.00
assign ( resid   15 and name HB2  ) ( resid   32 and name HN   )    4.22    4.22    0.00
assign ( resid   31 and name HB   ) ( resid   32 and name HN   )    4.70    4.70    0.00
assign ( resid   33 and name HN   ) ( resid   33 and name HB2  )    3.40    3.40    0.00
assign ( resid   15 and name HB1  ) ( resid   32 and name HN   )    5.19    5.19    0.00
assign ( resid   34 and name HB1  ) ( resid   35 and name HE1  )    4.64    4.64    0.00
assign ( resid   32 and name HA1  ) ( resid   33 and name HN   )    3.52    3.52    0.00
assign ( resid   32 and name HA2  ) ( resid   33 and name HN   )    3.25    3.25    0.00
assign ( resid   31 and name HA   ) ( resid   32 and name HN   )    3.22    3.22    0.00
assign ( resid   31 and name HN   ) ( resid   32 and name HN   )    4.53    4.53    0.00
assign ( resid   16 and name HN   ) ( resid   17 and name HN   )    3.44    3.44    0.00
assign ( resid   27 and name HN   ) ( resid   28 and name HN   )    3.52    3.52    0.00
assign ( resid   13 and name HN   ) ( resid   37 and name HN   )    4.56    4.56    0.00
assign ( resid   38 and name HN   ) ( resid   39 and name HN   )    5.50    5.50    0.00
assign ( resid   16 and name HN   ) ( resid   18 and name HN   )    4.28    4.28    0.00
assign ( resid   28 and name HN   ) ( resid   30 and name HN   )    5.50    5.50    0.00
assign ( resid   28 and name HN   ) ( resid   29 and name HN   )    4.05    4.05    0.00
assign ( resid   26 and name HN   ) ( resid   27 and name HN   )    4.01    4.01    0.00
assign ( resid   22 and name HN   ) ( resid   22 and name HD21 )    5.16    5.16    0.00
assign ( resid   13 and name HA   ) ( resid   39 and name HN   )    5.00    5.00    0.00
assign ( resid   19 and name HA   ) ( resid   39 and name HN   )    3.98    3.98    0.00
assign ( resid    6 and name HN   ) ( resid    6 and name HB   )    3.56    3.56    0.00
assign ( resid    6 and name HB   ) ( resid    7 and name HN   )    3.23    3.23    0.00
assign ( resid    7 and name HN   ) ( resid    7 and name HB   )    3.89    3.89    0.00
assign ( resid   13 and name HN   ) ( resid   14 and name HA2  )    4.87    4.87    0.00
assign ( resid    5 and name HA   ) ( resid    6 and name HN   )    3.51    3.51    0.00
assign ( resid   39 and name HA   ) ( resid   40 and name HN   )    3.17    3.17    0.00
assign ( resid   12 and name HA   ) ( resid   13 and name HN   )    3.19    3.19    0.00
assign ( resid   18 and name HA   ) ( resid   19 and name HN   )    2.94    2.94    0.00
assign ( resid   13 and name HN   ) ( resid   36 and name HA   )    4.35    4.35    0.00
assign ( resid   24 and name HA   ) ( resid   27 and name HN   )    4.69    4.69    0.00
assign ( resid   14 and name HA1  ) ( resid   16 and name HN   )    4.07    4.07    0.00
assign ( resid   19 and name HN   ) ( resid   19 and name HB   )    3.25    3.25    0.00
assign ( resid   38 and name HA   ) ( resid   39 and name HN   )    3.22    3.22    0.00
assign ( resid   23 and name HA   ) ( resid   27 and name HN   )    4.39    4.39    0.00
assign ( resid   22 and name HB1  ) ( resid   22 and name HD21 )    3.85    3.85    0.00
assign ( resid   39 and name HB2  ) ( resid   40 and name HN   )    4.17    4.17    0.00
assign ( resid   39 and name HN   ) ( resid   39 and name HB2  )    3.94    3.94    0.00
assign ( resid   27 and name HB2  ) ( resid   28 and name HN   )    4.11    4.11    0.00
assign ( resid   16 and name HN   ) ( resid   16 and name HB2  )    4.20    4.20    0.00
assign ( resid   27 and name HN   ) ( resid   27 and name HB2  )    3.73    3.73    0.00
assign ( resid   27 and name HN   ) ( resid   27 and name HB1  )    3.73    3.73    0.00
assign ( resid   27 and name HB1  ) ( resid   28 and name HN   )    4.11    4.11    0.00
assign ( resid   13 and name HN   ) ( resid   13 and name HB2  )    3.58    3.58    0.00
assign ( resid   39 and name HB1  ) ( resid   40 and name HN   )    4.17    4.17    0.00
assign ( resid   39 and name HN   ) ( resid   39 and name HB1  )    3.94    3.94    0.00
assign ( resid   16 and name HN   ) ( resid   16 and name HB1  )    4.20    4.20    0.00
assign ( resid   13 and name HB2  ) ( resid   39 and name HN   )    5.50    5.50    0.00
assign ( resid   38 and name HG1  ) ( resid   39 and name HN   )    5.50    5.50    0.00
assign ( resid   28 and name HN   ) ( resid   28 and name HB2  )    3.02    3.02    0.00
assign ( resid   28 and name HN   ) ( resid   28 and name HB1  )    3.77    3.77    0.00
assign ( resid   38 and name HB2  ) ( resid   39 and name HN   )    3.67    3.67    0.00
assign ( resid   15 and name HB1  ) ( resid   16 and name HN   )    4.42    4.42    0.00
assign ( resid   38 and name HB1  ) ( resid   39 and name HN   )    4.74    4.74    0.00
assign ( resid   12 and name HB   ) ( resid   13 and name HN   )    3.40    3.40    0.00
assign ( resid   26 and name HB1  ) ( resid   27 and name HN   )    3.48    3.48    0.00
assign ( resid   23 and name HG   ) ( resid   27 and name HN   )    5.02    5.02    0.00
assign ( resid   18 and name HB2  ) ( resid   19 and name HN   )    4.29    4.29    0.00
assign ( resid   15 and name HB2  ) ( resid   16 and name HN   )    4.21    4.21    0.00
assign ( resid   28 and name HN   ) ( resid   29 and name HB*  )    5.28    5.28    0.00
assign ( resid   18 and name HB1  ) ( resid   19 and name HN   )    4.29    4.29    0.00
assign ( resid    6 and name HN   ) ( resid    6 and name HG2* )    4.07    4.07    0.00
assign ( resid    3 and name HN   ) ( resid    3 and name HB*  )    3.93    3.93    0.00
assign ( resid    7 and name HN   ) ( resid    7 and name HG2* )    3.87    3.87    0.00
assign ( resid   13 and name HN   ) ( resid   13 and name HB1  )    3.31    3.31    0.00
assign ( resid   13 and name HN   ) ( resid   26 and name HG   )    5.50    5.50    0.00
assign ( resid   26 and name HG   ) ( resid   27 and name HN   )    5.50    5.50    0.00
assign ( resid   19 and name HG2* ) ( resid   39 and name HN   )    4.09    4.09    0.00
assign ( resid   19 and name HN   ) ( resid   19 and name HG2* )    4.23    4.23    0.00
assign ( resid   16 and name HN   ) ( resid   31 and name HG1* )    3.62    3.62    0.00
assign ( resid   26 and name HB2  ) ( resid   27 and name HN   )    4.06    4.06    0.00
assign ( resid   12 and name HG1* ) ( resid   13 and name HN   )    4.21    4.21    0.00
assign ( resid   16 and name HN   ) ( resid   31 and name HG2* )    4.94    4.94    0.00
assign ( resid   12 and name HG2* ) ( resid   13 and name HN   )    4.26    4.26    0.00
assign ( resid   13 and name HN   ) ( resid   26 and name HD2* )    5.35    5.35    0.00
assign ( resid   26 and name HD2* ) ( resid   27 and name HN   )    5.50    5.50    0.00
assign ( resid   11 and name HB1  ) ( resid   12 and name HN   )    4.41    4.41    0.00
assign ( resid   11 and name HB1  ) ( resid   38 and name HN   )    4.78    4.78    0.00
assign ( resid   12 and name HN   ) ( resid   12 and name HG2* )    3.57    3.57    0.00
assign ( resid    4 and name HN   ) ( resid    4 and name HG1* )    4.90    4.90    0.00
assign ( resid    4 and name HN   ) ( resid    4 and name HG2* )    4.90    4.90    0.00
assign ( resid   12 and name HG1* ) ( resid   37 and name HN   )    4.07    4.07    0.00
assign ( resid   12 and name HN   ) ( resid   12 and name HG1* )    4.44    4.44    0.00
assign ( resid   17 and name HN   ) ( resid   31 and name HG1* )    5.20    5.20    0.00
assign ( resid   11 and name HB2  ) ( resid   38 and name HN   )    3.86    3.86    0.00
assign ( resid   12 and name HN   ) ( resid   19 and name HG2* )    4.65    4.65    0.00
assign ( resid   19 and name HG2* ) ( resid   38 and name HN   )    5.24    5.24    0.00
assign ( resid   11 and name HG1  ) ( resid   38 and name HN   )    4.40    4.40    0.00
assign ( resid   11 and name HG2  ) ( resid   38 and name HN   )    4.88    4.88    0.00
assign ( resid    3 and name HB*  ) ( resid    4 and name HN   )    5.18    5.18    0.00
assign ( resid   23 and name HB1  ) ( resid   24 and name HN   )    4.94    4.94    0.00
assign ( resid   23 and name HB2  ) ( resid   24 and name HN   )    4.94    4.94    0.00
assign ( resid   12 and name HB   ) ( resid   37 and name HN   )    4.58    4.58    0.00
assign ( resid    4 and name HN   ) ( resid    4 and name HB   )    4.14    4.14    0.00
assign ( resid   38 and name HN   ) ( resid   38 and name HB1  )    3.70    3.70    0.00
assign ( resid   36 and name HB2  ) ( resid   37 and name HN   )    4.41    4.41    0.00
assign ( resid   36 and name HB1  ) ( resid   37 and name HN   )    4.41    4.41    0.00
assign ( resid   38 and name HN   ) ( resid   38 and name HG1  )    3.74    3.74    0.00
assign ( resid   38 and name HN   ) ( resid   38 and name HG2  )    4.00    4.00    0.00
assign ( resid   13 and name HB2  ) ( resid   37 and name HN   )    5.50    5.50    0.00
assign ( resid   24 and name HN   ) ( resid   24 and name HB1  )    3.72    3.72    0.00
assign ( resid   22 and name HB2  ) ( resid   24 and name HN   )    4.87    4.87    0.00
assign ( resid   24 and name HN   ) ( resid   24 and name HB2  )    3.72    3.72    0.00
assign ( resid   37 and name HA2  ) ( resid   38 and name HN   )    3.44    3.44    0.00
assign ( resid   15 and name HA   ) ( resid   17 and name HN   )    4.51    4.51    0.00
assign ( resid   11 and name HA   ) ( resid   12 and name HN   )    3.05    3.05    0.00
assign ( resid   14 and name HA1  ) ( resid   17 and name HN   )    4.25    4.25    0.00
assign ( resid   36 and name HA   ) ( resid   37 and name HN   )    3.27    3.27    0.00
assign ( resid    3 and name HA   ) ( resid    4 and name HN   )    3.54    3.54    0.00
assign ( resid   12 and name HA   ) ( resid   37 and name HN   )    3.34    3.34    0.00
assign ( resid   37 and name HA1  ) ( resid   38 and name HN   )    3.49    3.49    0.00
assign ( resid   17 and name HN   ) ( resid   18 and name HN   )    3.45    3.45    0.00
assign ( resid    4 and name HN   ) ( resid    5 and name HN   )    4.52    4.52    0.00
assign ( resid   24 and name HN   ) ( resid   25 and name HN   )    4.12    4.12    0.00
assign ( resid    7 and name HA   ) ( resid    8 and name HN   )    2.99    2.99    0.00
assign ( resid    6 and name HA   ) ( resid    8 and name HN   )    5.10    5.10    0.00
assign ( resid    7 and name HB   ) ( resid    8 and name HN   )    4.50    4.50    0.00
assign ( resid   25 and name HB1  ) ( resid   25 and name HE3  )    3.85    3.85    0.00
assign ( resid    8 and name HN   ) ( resid    8 and name HB2  )    3.98    3.98    0.00
assign ( resid    8 and name HN   ) ( resid    8 and name HB1  )    3.98    3.98    0.00
assign ( resid    7 and name HG2* ) ( resid    8 and name HN   )    5.22    5.22    0.00
assign ( resid   18 and name HN   ) ( resid   18 and name HG1  )    4.62    4.62    0.00
assign ( resid   30 and name HN   ) ( resid   31 and name HG2* )    5.50    5.50    0.00
assign ( resid    4 and name HG1* ) ( resid    5 and name HN   )    5.50    5.50    0.00
assign ( resid    4 and name HG2* ) ( resid    5 and name HN   )    5.50    5.50    0.00
assign ( resid   18 and name HN   ) ( resid   18 and name HG2  )    4.62    4.62    0.00
assign ( resid   18 and name HN   ) ( resid   18 and name HB1  )    3.93    3.93    0.00
assign ( resid   29 and name HB*  ) ( resid   30 and name HN   )    4.07    4.07    0.00
assign ( resid   18 and name HN   ) ( resid   18 and name HB2  )    3.93    3.93    0.00
assign ( resid    4 and name HB   ) ( resid    5 and name HN   )    4.52    4.52    0.00
assign ( resid   24 and name HB1  ) ( resid   25 and name HN   )    3.87    3.87    0.00
assign ( resid   25 and name HN   ) ( resid   25 and name HB2  )    3.55    3.55    0.00
assign ( resid   24 and name HB2  ) ( resid   25 and name HN   )    3.87    3.87    0.00
assign ( resid    9 and name HE3  ) ( resid   21 and name HA   )    4.40    4.40    0.00
assign ( resid   25 and name HN   ) ( resid   25 and name HB1  )    3.95    3.95    0.00
assign ( resid    4 and name HA   ) ( resid    5 and name HN   )    3.45    3.45    0.00
assign ( resid   28 and name HA   ) ( resid   30 and name HN   )    4.78    4.78    0.00
assign ( resid   14 and name HA1  ) ( resid   18 and name HN   )    4.79    4.79    0.00
assign ( resid   25 and name HA   ) ( resid   25 and name HE3  )    3.77    3.77    0.00
assign ( resid   27 and name HA   ) ( resid   30 and name HN   )    4.38    4.38    0.00
assign ( resid    9 and name HA   ) ( resid    9 and name HE3  )    3.64    3.64    0.00
assign ( resid   30 and name HN   ) ( resid   31 and name HN   )    3.59    3.59    0.00
assign ( resid   29 and name HN   ) ( resid   30 and name HN   )    3.61    3.61    0.00
assign ( resid   25 and name HN   ) ( resid   25 and name HD1  )    3.64    3.64    0.00
assign ( resid   25 and name HN   ) ( resid   26 and name HN   )    3.75    3.75    0.00
assign ( resid   20 and name HD1  ) ( resid   26 and name HN   )    5.35    5.35    0.00
assign ( resid   20 and name HD2  ) ( resid   26 and name HN   )    5.50    5.50    0.00
assign ( resid   20 and name HD1  ) ( resid   22 and name HN   )    5.26    5.26    0.00
assign ( resid   22 and name HN   ) ( resid   22 and name HD22 )    5.16    5.16    0.00
assign ( resid   27 and name HA   ) ( resid   27 and name HD21 )    5.02    5.02    0.00
assign ( resid   27 and name HA   ) ( resid   29 and name HN   )    5.23    5.23    0.00
assign ( resid   20 and name HA   ) ( resid   22 and name HN   )    4.71    4.71    0.00
assign ( resid   33 and name HA   ) ( resid   35 and name HN   )    4.47    4.47    0.00
assign ( resid   23 and name HA   ) ( resid   26 and name HN   )    4.07    4.07    0.00
assign ( resid   25 and name HB1  ) ( resid   25 and name HD1  )    3.65    3.65    0.00
assign ( resid   25 and name HB1  ) ( resid   26 and name HN   )    5.02    5.02    0.00
assign ( resid   22 and name HN   ) ( resid   25 and name HB1  )    5.42    5.42    0.00
assign ( resid   22 and name HN   ) ( resid   23 and name HA   )    5.32    5.32    0.00
assign ( resid   21 and name HB1  ) ( resid   22 and name HN   )    4.59    4.59    0.00
assign ( resid   11 and name HA   ) ( resid   22 and name HN   )    5.50    5.50    0.00
assign ( resid   21 and name HB2  ) ( resid   22 and name HN   )    4.59    4.59    0.00
assign ( resid   25 and name HB2  ) ( resid   25 and name HD1  )    3.25    3.25    0.00
assign ( resid   22 and name HN   ) ( resid   25 and name HB2  )    4.63    4.63    0.00
assign ( resid   25 and name HB2  ) ( resid   26 and name HN   )    4.11    4.11    0.00
assign ( resid   26 and name HA   ) ( resid   29 and name HN   )    4.34    4.34    0.00
assign ( resid   20 and name HB1  ) ( resid   22 and name HN   )    4.03    4.03    0.00
assign ( resid   20 and name HB1  ) ( resid   26 and name HN   )    4.34    4.34    0.00
assign ( resid   28 and name HB2  ) ( resid   29 and name HN   )    4.42    4.42    0.00
assign ( resid   28 and name HB1  ) ( resid   29 and name HN   )    4.04    4.04    0.00
assign ( resid    9 and name HZ2  ) ( resid   38 and name HG1  )    4.83    4.83    0.00
assign ( resid    9 and name HZ2  ) ( resid   38 and name HG2  )    4.50    4.50    0.00
assign ( resid   20 and name HB2  ) ( resid   22 and name HN   )    4.97    4.97    0.00
assign ( resid   20 and name HB2  ) ( resid   26 and name HN   )    4.53    4.53    0.00
assign ( resid   34 and name HB1  ) ( resid   35 and name HN   )    3.38    3.38    0.00
assign ( resid   34 and name HB2  ) ( resid   35 and name HN   )    4.00    4.00    0.00
assign ( resid   26 and name HN   ) ( resid   26 and name HB1  )    3.35    3.35    0.00
assign ( resid   12 and name HB   ) ( resid   35 and name HN   )    5.50    5.50    0.00
assign ( resid   29 and name HN   ) ( resid   29 and name HB*  )    3.12    3.12    0.00
assign ( resid    9 and name HZ2  ) ( resid   11 and name HG1  )    4.48    4.48    0.00
assign ( resid    9 and name HZ2  ) ( resid   11 and name HG2  )    4.33    4.33    0.00
assign ( resid    9 and name HZ2  ) ( resid   11 and name HD1  )    4.44    4.44    0.00
assign ( resid    9 and name HZ2  ) ( resid   11 and name HB2  )    5.04    5.04    0.00
assign ( resid   13 and name HB1  ) ( resid   35 and name HN   )    3.84    3.84    0.00
assign ( resid   26 and name HN   ) ( resid   26 and name HG   )    5.00    5.00    0.00
assign ( resid   33 and name HG   ) ( resid   35 and name HN   )    4.39    4.39    0.00
assign ( resid   26 and name HN   ) ( resid   26 and name HB2  )    3.46    3.46    0.00
assign ( resid   26 and name HN   ) ( resid   26 and name HD2* )    4.66    4.66    0.00
assign ( resid   12 and name HG2* ) ( resid   22 and name HN   )    5.23    5.23    0.00
assign ( resid    9 and name HZ2  ) ( resid   11 and name HB1  )    4.39    4.39    0.00
assign ( resid   20 and name HD2  ) ( resid   31 and name HG1* )    5.50    5.50    0.00
assign ( resid   20 and name HD2  ) ( resid   26 and name HB2  )    4.41    4.41    0.00
assign ( resid   20 and name HD2  ) ( resid   31 and name HG2* )    5.45    5.45    0.00
assign ( resid   12 and name HG2* ) ( resid   20 and name HD2  )    4.13    4.13    0.00
assign ( resid   20 and name HD2  ) ( resid   26 and name HD2* )    3.63    3.63    0.00
assign ( resid    9 and name HH2  ) ( resid   11 and name HB1  )    4.93    4.93    0.00
assign ( resid    9 and name HH2  ) ( resid   11 and name HD1  )    4.79    4.79    0.00
assign ( resid    9 and name HZ3  ) ( resid   11 and name HD1  )    4.77    4.77    0.00
assign ( resid    9 and name HD1  ) ( resid   11 and name HD1  )    4.54    4.54    0.00
assign ( resid   20 and name HD2  ) ( resid   29 and name HB*  )    5.30    5.30    0.00
assign ( resid   13 and name HB1  ) ( resid   35 and name HD2  )    5.13    5.13    0.00
assign ( resid    9 and name HD1  ) ( resid   11 and name HG2  )    5.37    5.37    0.00
assign ( resid   34 and name HB2  ) ( resid   35 and name HD2  )    5.14    5.14    0.00
assign ( resid   34 and name HB1  ) ( resid   35 and name HD2  )    4.38    4.38    0.00
assign ( resid   20 and name HB2  ) ( resid   20 and name HD2  )    3.40    3.40    0.00
assign ( resid   20 and name HD2  ) ( resid   26 and name HA   )    4.29    4.29    0.00
assign ( resid   20 and name HB1  ) ( resid   20 and name HD1  )    3.37    3.37    0.00
assign ( resid    9 and name HD1  ) ( resid   11 and name HD2  )    4.45    4.45    0.00
assign ( resid   20 and name HD1  ) ( resid   25 and name HB2  )    3.95    3.95    0.00
assign ( resid   20 and name HD1  ) ( resid   25 and name HB1  )    3.61    3.61    0.00
assign ( resid    9 and name HH2  ) ( resid   21 and name HA   )    4.77    4.77    0.00
assign ( resid    9 and name HZ3  ) ( resid   21 and name HA   )    3.81    3.81    0.00
assign ( resid   14 and name HA1  ) ( resid   20 and name HD2  )    4.46    4.46    0.00
assign ( resid   20 and name HA   ) ( resid   20 and name HD1  )    3.86    3.86    0.00
assign ( resid   20 and name HD1  ) ( resid   25 and name HA   )    5.04    5.04    0.00
assign ( resid   19 and name HA   ) ( resid   20 and name HD2  )    4.91    4.91    0.00
assign ( resid    9 and name HA   ) ( resid    9 and name HD1  )    5.43    5.43    0.00
assign ( resid   13 and name HA   ) ( resid   20 and name HD2  )    4.56    4.56    0.00
assign ( resid   26 and name HD2* ) ( resid   31 and name HN   )    5.00    5.00    0.00
assign ( resid   31 and name HN   ) ( resid   31 and name HG2* )    3.47    3.47    0.00
assign ( resid   31 and name HN   ) ( resid   31 and name HG1* )    3.96    3.96    0.00
assign ( resid   31 and name HN   ) ( resid   31 and name HB   )    3.39    3.39    0.00
assign ( resid   29 and name HB*  ) ( resid   31 and name HN   )    3.97    3.97    0.00
assign ( resid   22 and name HB1  ) ( resid   22 and name HD22 )    3.85    3.85    0.00
assign ( resid   27 and name HA   ) ( resid   27 and name HD22 )    5.02    5.02    0.00
assign ( resid   27 and name HA   ) ( resid   31 and name HN   )    5.26    5.26    0.00
assign ( resid   13 and name HA   ) ( resid   19 and name HA   )    4.80    4.80    0.00
assign ( resid   13 and name HA   ) ( resid   14 and name HA1  )    4.54    4.54    0.00
assign ( resid   13 and name HA   ) ( resid   19 and name HG2* )    4.84    4.84    0.00
assign ( resid   12 and name HA   ) ( resid   12 and name HG2* )    3.97    3.97    0.00
assign ( resid   12 and name HA   ) ( resid   12 and name HG1* )    3.53    3.53    0.00
assign ( resid   12 and name HA   ) ( resid   36 and name HA   )    3.61    3.61    0.00
assign ( resid   12 and name HB   ) ( resid   36 and name HA   )    4.19    4.19    0.00
assign ( resid   14 and name HA1  ) ( resid   31 and name HG1* )    4.15    4.15    0.00
assign ( resid   31 and name HA   ) ( resid   31 and name HG2* )    3.77    3.77    0.00
assign ( resid   31 and name HA   ) ( resid   31 and name HG1* )    3.58    3.58    0.00
assign ( resid   12 and name HG1* ) ( resid   36 and name HA   )    3.60    3.60    0.00
assign ( resid    3 and name HA   ) ( resid    4 and name HG1* )    4.96    4.96    0.00
assign ( resid    3 and name HA   ) ( resid    4 and name HG2* )    4.96    4.96    0.00
assign ( resid   11 and name HA   ) ( resid   12 and name HG2* )    4.82    4.82    0.00
assign ( resid   26 and name HD1* ) ( resid   31 and name HA   )    5.40    5.40    0.00
assign ( resid   14 and name HA1  ) ( resid   26 and name HD2* )    3.79    3.79    0.00
assign ( resid   26 and name HD2* ) ( resid   33 and name HA   )    3.97    3.97    0.00
assign ( resid   23 and name HA   ) ( resid   26 and name HD2* )    5.01    5.01    0.00
assign ( resid   26 and name HD1* ) ( resid   33 and name HA   )    3.97    3.97    0.00
assign ( resid   33 and name HA   ) ( resid   33 and name HD2* )    4.54    4.54    0.00
assign ( resid   12 and name HG2* ) ( resid   23 and name HA   )    3.25    3.25    0.00
assign ( resid   11 and name HB1  ) ( resid   38 and name HA   )    4.55    4.55    0.00
assign ( resid   11 and name HB1  ) ( resid   21 and name HA   )    4.32    4.32    0.00
assign ( resid   33 and name HA   ) ( resid   33 and name HD1* )    4.54    4.54    0.00
assign ( resid   23 and name HA   ) ( resid   23 and name HD1* )    4.78    4.78    0.00
assign ( resid   12 and name HG1* ) ( resid   23 and name HA   )    4.40    4.40    0.00
assign ( resid   23 and name HA   ) ( resid   23 and name HD2* )    4.78    4.78    0.00
assign ( resid   11 and name HD1  ) ( resid   21 and name HA   )    4.76    4.76    0.00
assign ( resid   11 and name HB2  ) ( resid   21 and name HA   )    5.13    5.13    0.00
assign ( resid   11 and name HB2  ) ( resid   38 and name HA   )    4.04    4.04    0.00
assign ( resid   23 and name HA   ) ( resid   26 and name HB2  )    4.07    4.07    0.00
assign ( resid   33 and name HA   ) ( resid   33 and name HG   )    3.98    3.98    0.00
assign ( resid   19 and name HG2* ) ( resid   38 and name HA   )    3.29    3.29    0.00
assign ( resid   15 and name HA   ) ( resid   15 and name HG2  )    3.47    3.47    0.00
assign ( resid   15 and name HA   ) ( resid   15 and name HG1  )    3.82    3.82    0.00
assign ( resid   15 and name HG1  ) ( resid   32 and name HA2  )    5.50    5.50    0.00
assign ( resid   23 and name HA   ) ( resid   26 and name HB1  )    3.89    3.89    0.00
assign ( resid   23 and name HA   ) ( resid   23 and name HG   )    3.30    3.30    0.00
assign ( resid   15 and name HA   ) ( resid   34 and name HB2  )    3.94    3.94    0.00
assign ( resid   38 and name HA   ) ( resid   38 and name HG1  )    3.93    3.93    0.00
assign ( resid   20 and name HB1  ) ( resid   25 and name HB1  )    3.90    3.90    0.00
assign ( resid   15 and name HG1  ) ( resid   32 and name HA1  )    4.10    4.10    0.00
assign ( resid   11 and name HG1  ) ( resid   37 and name HA2  )    4.34    4.34    0.00
assign ( resid   10 and name HB1  ) ( resid   22 and name HB1  )    4.33    4.33    0.00
assign ( resid   10 and name HB2  ) ( resid   22 and name HB1  )    4.33    4.33    0.00
assign ( resid   20 and name HB1  ) ( resid   25 and name HB2  )    3.99    3.99    0.00
assign ( resid   26 and name HA   ) ( resid   26 and name HD2* )    3.55    3.55    0.00
assign ( resid   20 and name HB1  ) ( resid   26 and name HD2* )    4.39    4.39    0.00
assign ( resid   26 and name HA   ) ( resid   26 and name HD1* )    4.49    4.49    0.00
assign ( resid   12 and name HG2* ) ( resid   20 and name HB1  )    3.94    3.94    0.00
assign ( resid   20 and name HB1  ) ( resid   26 and name HB2  )    4.39    4.39    0.00
assign ( resid   26 and name HA   ) ( resid   26 and name HG   )    3.83    3.83    0.00
assign ( resid   26 and name HA   ) ( resid   29 and name HB*  )    3.85    3.85    0.00
assign ( resid   12 and name HG2* ) ( resid   20 and name HB2  )    3.63    3.63    0.00
assign ( resid   20 and name HB2  ) ( resid   26 and name HB2  )    4.27    4.27    0.00
assign ( resid   20 and name HB2  ) ( resid   26 and name HD2* )    5.30    5.30    0.00
assign ( resid   11 and name HG2  ) ( resid   38 and name HG2  )    4.63    4.63    0.00
assign ( resid   11 and name HG2  ) ( resid   38 and name HG1  )    5.05    5.05    0.00
assign ( resid   13 and name HB2  ) ( resid   19 and name HG2* )    5.23    5.23    0.00
assign ( resid   19 and name HG2* ) ( resid   38 and name HG1  )    5.50    5.50    0.00
assign ( resid   19 and name HG2* ) ( resid   38 and name HG2  )    4.73    4.73    0.00
assign ( resid   11 and name HB2  ) ( resid   38 and name HG2  )    4.59    4.59    0.00
assign ( resid   11 and name HB2  ) ( resid   38 and name HG1  )    4.44    4.44    0.00
assign ( resid   19 and name HG2* ) ( resid   38 and name HB2  )    4.51    4.51    0.00
assign ( resid   15 and name HG2  ) ( resid   34 and name HB2  )    4.92    4.92    0.00
assign ( resid   15 and name HG1  ) ( resid   34 and name HB2  )    5.20    5.20    0.00
assign ( resid   19 and name HG2* ) ( resid   38 and name HB1  )    4.33    4.33    0.00
assign ( resid   33 and name HB2  ) ( resid   33 and name HD1* )    3.82    3.82    0.00
assign ( resid   15 and name HB2  ) ( resid   15 and name HG1  )    2.83    2.83    0.00
assign ( resid   29 and name HB*  ) ( resid   31 and name HG1* )    4.39    4.39    0.00
assign ( resid   29 and name HB*  ) ( resid   31 and name HG2* )    3.37    3.37    0.00
assign ( resid   33 and name HB2  ) ( resid   33 and name HD2* )    3.82    3.82    0.00
assign ( resid   26 and name HB1  ) ( resid   26 and name HD1* )    3.81    3.81    0.00
assign ( resid   26 and name HD1* ) ( resid   31 and name HB   )    5.38    5.38    0.00
assign ( resid   26 and name HD1* ) ( resid   29 and name HB*  )    4.92    4.92    0.00
assign ( resid   26 and name HB1  ) ( resid   26 and name HD2* )    4.03    4.03    0.00
assign ( resid   26 and name HD2* ) ( resid   31 and name HB   )    3.92    3.92    0.00
assign ( resid   26 and name HD2* ) ( resid   29 and name HB*  )    3.76    3.76    0.00
assign ( resid   26 and name HG   ) ( resid   31 and name HG2* )    5.23    5.23    0.00
assign ( resid   33 and name HB1  ) ( resid   33 and name HD1* )    3.82    3.82    0.00
assign ( resid   33 and name HB1  ) ( resid   33 and name HD2* )    3.82    3.82    0.00
assign ( resid   12 and name HG2* ) ( resid   26 and name HG   )    3.85    3.85    0.00
assign ( resid   11 and name HB2  ) ( resid   19 and name HG2* )    4.62    4.62    0.00
assign ( resid   12 and name HG2* ) ( resid   19 and name HG2* )    5.45    5.45    0.00
assign ( resid   12 and name HG2* ) ( resid   26 and name HB2  )    3.68    3.68    0.00
assign ( resid   26 and name HD2* ) ( resid   31 and name HG1* )    3.79    3.79    0.00
assign ( resid   26 and name HB2  ) ( resid   26 and name HD2* )    3.76    3.76    0.00
assign ( resid   26 and name HD2* ) ( resid   31 and name HG2* )    4.23    4.23    0.00
assign ( resid   12 and name HG2* ) ( resid   26 and name HD2* )    3.44    3.44    0.00
assign ( resid   11 and name HA   ) ( resid   21 and name HA   )    4.68    4.68    0.00
assign ( resid   38 and name HN   ) ( resid   38 and name HB2  )    3.91    3.91    0.00
assign ( resid    3 and name HA   ) ( resid    4 and name HG*  )    4.25    4.25    0.00
assign ( resid    4 and name HN   ) ( resid    4 and name HG*  )    4.25    4.25    0.00
assign ( resid    4 and name HG*  ) ( resid    5 and name HN   )    4.79    4.79    0.00
assign ( resid    5 and name HN   ) ( resid    5 and name HB*  )    3.62    3.62    0.00
assign ( resid    8 and name HA   ) ( resid    9 and name HB*  )    4.74    4.74    0.00
assign ( resid    8 and name HG*  ) ( resid    9 and name HN   )    4.12    4.12    0.00
assign ( resid    9 and name HB*  ) ( resid    9 and name HD1  )    3.28    3.28    0.00
assign ( resid    9 and name HB*  ) ( resid    9 and name HE3  )    3.58    3.58    0.00
assign ( resid    9 and name HE3  ) ( resid   21 and name HB*  )    3.78    3.78    0.00
assign ( resid    9 and name HZ3  ) ( resid   21 and name HB*  )    3.94    3.94    0.00
assign ( resid    9 and name HH2  ) ( resid   21 and name HB*  )    4.78    4.78    0.00
assign ( resid   10 and name HB*  ) ( resid   22 and name HB1  )    3.65    3.65    0.00
assign ( resid   12 and name HG1* ) ( resid   36 and name HG*  )    4.93    4.93    0.00
assign ( resid   12 and name HG2* ) ( resid   23 and name HD*  )    3.49    3.49    0.00
assign ( resid   13 and name HN   ) ( resid   33 and name HD*  )    4.57    4.57    0.00
assign ( resid   15 and name HA   ) ( resid   15 and name HD*  )    4.66    4.66    0.00
assign ( resid   15 and name HB1  ) ( resid   15 and name HD*  )    3.64    3.64    0.00
assign ( resid   15 and name HD*  ) ( resid   32 and name HN   )    4.44    4.44    0.00
assign ( resid   15 and name HD*  ) ( resid   32 and name HA1  )    3.37    3.37    0.00
assign ( resid   16 and name HN   ) ( resid   16 and name HB*  )    3.68    3.68    0.00
assign ( resid   16 and name HN   ) ( resid   18 and name HG*  )    5.34    5.34    0.00
assign ( resid   16 and name HB*  ) ( resid   31 and name HG1* )    3.04    3.04    0.00
assign ( resid   16 and name HB*  ) ( resid   31 and name HG2* )    5.34    5.34    0.00
assign ( resid   18 and name HN   ) ( resid   18 and name HB*  )    3.27    3.27    0.00
assign ( resid   18 and name HN   ) ( resid   18 and name HG*  )    3.78    3.78    0.00
assign ( resid   18 and name HA   ) ( resid   18 and name HG*  )    3.68    3.68    0.00
assign ( resid   18 and name HB*  ) ( resid   19 and name HN   )    3.64    3.64    0.00
assign ( resid   18 and name HB*  ) ( resid   20 and name HD2  )    4.14    4.14    0.00
assign ( resid   18 and name HG*  ) ( resid   19 and name HN   )    5.34    5.34    0.00
assign ( resid   21 and name HN   ) ( resid   21 and name HB*  )    3.38    3.38    0.00
assign ( resid   21 and name HB*  ) ( resid   22 and name HN   )    4.03    4.03    0.00
assign ( resid   22 and name HN   ) ( resid   22 and name HD2* )    4.34    4.34    0.00
assign ( resid   22 and name HB1  ) ( resid   22 and name HD2* )    3.29    3.29    0.00
assign ( resid   22 and name HD2* ) ( resid   25 and name HD1  )    4.62    4.62    0.00
assign ( resid   22 and name HD2* ) ( resid   25 and name HE1  )    3.77    3.77    0.00
assign ( resid   23 and name HN   ) ( resid   23 and name HB*  )    3.05    3.05    0.00
assign ( resid   23 and name HN   ) ( resid   23 and name HD*  )    4.86    4.86    0.00
assign ( resid   23 and name HA   ) ( resid   23 and name HD*  )    3.45    3.45    0.00
assign ( resid   23 and name HB*  ) ( resid   23 and name HD*  )    2.62    2.62    0.00
assign ( resid   23 and name HB*  ) ( resid   24 and name HN   )    4.25    4.25    0.00
assign ( resid   23 and name HD*  ) ( resid   26 and name HN   )    5.22    5.22    0.00
assign ( resid   23 and name HD*  ) ( resid   26 and name HB1  )    4.58    4.58    0.00
assign ( resid   23 and name HD*  ) ( resid   27 and name HN   )    5.12    5.12    0.00
assign ( resid   24 and name HA   ) ( resid   27 and name HB*  )    3.86    3.86    0.00
assign ( resid   24 and name HB*  ) ( resid   25 and name HN   )    3.35    3.35    0.00
assign ( resid   26 and name HD1* ) ( resid   33 and name HB*  )    3.54    3.54    0.00
assign ( resid   27 and name HA   ) ( resid   27 and name HD2* )    4.32    4.32    0.00
assign ( resid   27 and name HB*  ) ( resid   27 and name HD2* )    3.23    3.23    0.00
assign ( resid   27 and name HB*  ) ( resid   28 and name HN   )    3.56    3.56    0.00
assign ( resid   28 and name HN   ) ( resid   28 and name HG*  )    2.76    2.76    0.00
assign ( resid   28 and name HA   ) ( resid   28 and name HG*  )    3.68    3.68    0.00
assign ( resid   32 and name HA2  ) ( resid   33 and name HB*  )    5.34    5.34    0.00
assign ( resid   33 and name HN   ) ( resid   33 and name HD*  )    4.76    4.76    0.00
assign ( resid   33 and name HA   ) ( resid   33 and name HD*  )    3.83    3.83    0.00
assign ( resid   33 and name HB*  ) ( resid   33 and name HD*  )    2.81    2.81    0.00
assign ( resid   33 and name HB*  ) ( resid   34 and name HN   )    4.28    4.28    0.00
assign ( resid   33 and name HB*  ) ( resid   35 and name HN   )    5.34    5.34    0.00
assign ( resid   33 and name HD*  ) ( resid   34 and name HN   )    3.55    3.55    0.00
assign ( resid   33 and name HD*  ) ( resid   35 and name HN   )    3.48    3.48    0.00
assign ( resid   33 and name HD*  ) ( resid   36 and name HN   )    5.44    5.44    0.00
assign ( resid   33 and name HD*  ) ( resid   36 and name HA   )    4.56    4.56    0.00
assign ( resid   33 and name HD*  ) ( resid   36 and name HG*  )    4.35    4.35    0.00
assign ( resid   35 and name HB*  ) ( resid   35 and name HD2  )    3.45    3.45    0.00
assign ( resid   35 and name HB*  ) ( resid   35 and name HE1  )    4.71    4.71    0.00
assign ( resid   35 and name HB*  ) ( resid   36 and name HN   )    3.41    3.41    0.00
assign ( resid   36 and name HN   ) ( resid   36 and name HB*  )    3.25    3.25    0.00
assign ( resid   36 and name HA   ) ( resid   36 and name HG*  )    3.69    3.69    0.00
assign ( resid   36 and name HB*  ) ( resid   37 and name HN   )    3.74    3.74    0.00
assign ( resid   36 and name HG*  ) ( resid   37 and name HN   )    5.34    5.34    0.00
assign ( resid   39 and name HB*  ) ( resid   40 and name HN   )    3.54    3.54    0.00
assign ( resid    5 and name SG   ) ( resid   24 and name SG   )    2.02    2.02    0.00
assign ( resid    5 and name SG   ) ( resid   24 and name CB   )    3.01    3.01    0.00
assign ( resid   13 and name SG   ) ( resid   39 and name SG   )    2.02    2.02    0.00
assign ( resid   13 and name SG   ) ( resid   39 and name CB   )    3.01    3.01    0.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLU   1           1H       GLU   1 -18.399   8.515  -5.606
    2    H2   GLU   1           2H       GLU   1 -18.511   6.910  -5.980
    3    H3   GLU   1           3H       GLU   1 -19.763   7.667  -5.220
    4    HA   GLU   1           HA       GLU   1 -17.090   7.162  -4.078
    5    HB2  GLU   1           1HB      GLU   1 -18.108   9.324  -3.379
    6    HB3  GLU   1           2HB      GLU   1 -19.558   8.459  -2.859
    7    HG2  GLU   1           1HG      GLU   1 -18.217   7.248  -1.151
    8    HG3  GLU   1           2HG      GLU   1 -16.774   8.140  -1.660
    9    H    ALA   2           H        ALA   2 -16.973   5.426  -2.651
   10    HA   ALA   2           HA       ALA   2 -19.398   3.959  -1.881
   11    HB1  ALA   2           3HB      ALA   2 -17.121   2.627  -3.480
   12    HB2  ALA   2           1HB      ALA   2 -18.534   1.798  -2.768
   13    HB3  ALA   2           2HB      ALA   2 -18.756   2.930  -4.115
   14    H    ALA   3           H        ALA   3 -17.228   1.776  -1.275
   15    HA   ALA   3           HA       ALA   3 -15.980   2.893   1.108
   16    HB1  ALA   3           3HB      ALA   3 -16.354   0.425   0.808
   17    HB2  ALA   3           1HB      ALA   3 -15.249   0.443  -0.590
   18    HB3  ALA   3           2HB      ALA   3 -14.631   0.800   1.038
   19    H    VAL   4           H        VAL   4 -13.440   3.096   1.106
   20    HA   VAL   4           HA       VAL   4 -12.762   4.501  -1.414
   21    HB   VAL   4           HB       VAL   4 -11.103   5.791  -0.085
   22   HG11  VAL   4          1HG1      VAL   4 -13.417   6.639  -0.408
   23   HG12  VAL   4          2HG1      VAL   4 -13.914   5.853   1.110
   24   HG13  VAL   4          3HG1      VAL   4 -12.720   7.173   1.135
   25   HG21  VAL   4          3HG2      VAL   4 -12.278   4.303   2.332
   26   HG22  VAL   4          1HG2      VAL   4 -10.609   4.158   1.717
   27   HG23  VAL   4          2HG2      VAL   4 -11.170   5.688   2.405
   28    H    CYS   5           H        CYS   5 -11.541   2.125   0.798
   29    HA   CYS   5           HA       CYS   5  -9.668   1.308  -1.355
   30    HB2  CYS   5           1HB      CYS   5  -9.263   1.022   1.630
   31    HB3  CYS   5           2HB      CYS   5  -8.295   0.194   0.406
   32    H    THR   6           H        THR   6  -9.317  -0.989  -1.560
   33    HA   THR   6           HA       THR   6 -11.764  -2.545  -1.087
   34    HB   THR   6           HB       THR   6 -10.445  -4.286  -2.337
   35    HG1  THR   6           1HG      THR   6  -8.453  -3.452  -3.304
   36   HG21  THR   6          1HG2      THR   6 -10.384  -1.588  -3.736
   37   HG22  THR   6          2HG2      THR   6 -11.835  -2.606  -3.572
   38   HG23  THR   6          3HG2      THR   6 -10.439  -3.190  -4.503
   39    H    THR   7           H        THR   7 -11.268  -4.892  -0.256
   40    HA   THR   7           HA       THR   7  -9.513  -4.700   2.143
   41    HB   THR   7           HB       THR   7 -10.805  -6.773   2.846
   42    HG1  THR   7           1HG      THR   7 -12.541  -7.364   1.594
   43   HG21  THR   7          1HG2      THR   7 -11.498  -4.480   3.584
   44   HG22  THR   7          2HG2      THR   7 -12.864  -5.602   3.419
   45   HG23  THR   7          3HG2      THR   7 -12.568  -4.379   2.164
   46    H    GLU   8           H        GLU   8  -8.851  -5.192  -0.741
   47    HA   GLU   8           HA       GLU   8  -8.082  -7.949  -1.050
   48    HB2  GLU   8           1HB      GLU   8  -8.508  -6.292  -2.902
   49    HB3  GLU   8           2HB      GLU   8  -7.013  -5.469  -2.443
   50    HG2  GLU   8           1HG      GLU   8  -5.776  -7.619  -2.919
   51    HG3  GLU   8           2HG      GLU   8  -7.289  -8.285  -3.547
   52    H    TRP   9           H        TRP   9  -6.284  -9.007  -0.317
   53    HA   TRP   9           HA       TRP   9  -4.097  -7.457   0.923
   54    HB2  TRP   9           1HB      TRP   9  -4.768  -9.596   1.949
   55    HB3  TRP   9           2HB      TRP   9  -4.425 -10.446   0.434
   56    HD1  TRP   9           HD       TRP   9  -2.035 -11.462   0.296
   57    HE1  TRP   9           1HE      TRP   9   0.194 -11.192   1.458
   58    HE3  TRP   9           3HE      TRP   9  -3.247  -7.419   3.183
   59    HZ2  TRP   9           2HZ      TRP   9   1.368  -9.384   3.313
   60    HZ3  TRP   9           3HZ      TRP   9  -1.464  -6.415   4.613
   61    HH2  TRP   9           HH       TRP   9   0.819  -7.393   4.678
   62    H    ASP  10           H        ASP  10  -3.044  -6.326  -0.629
   63    HA   ASP  10           HA       ASP  10  -1.613  -7.929  -2.695
   64    HB2  ASP  10           1HB      ASP  10  -3.627  -6.835  -3.747
   65    HB3  ASP  10           2HB      ASP  10  -2.969  -5.267  -3.280
   66    HA   PRO  11           HA       PRO  11   0.502  -5.087   0.239
   67    HB2  PRO  11           1HB      PRO  11   2.854  -6.554   0.568
   68    HB3  PRO  11           2HB      PRO  11   1.375  -6.724   1.563
   69    HG2  PRO  11           1HG      PRO  11   2.220  -8.361  -0.813
   70    HG3  PRO  11           2HG      PRO  11   1.619  -8.894   0.766
   71    HD2  PRO  11           1HD      PRO  11  -0.006  -8.782  -1.340
   72    HD3  PRO  11           2HD      PRO  11  -0.576  -8.202   0.273
   73    H    VAL  12           H        VAL  12   1.823  -3.494  -0.008
   74    HA   VAL  12           HA       VAL  12   3.866  -3.522  -2.167
   75    HB   VAL  12           HB       VAL  12   3.154  -1.220  -2.827
   76   HG11  VAL  12          1HG1      VAL  12   2.459  -3.185  -4.181
   77   HG12  VAL  12          2HG1      VAL  12   0.945  -3.262  -3.257
   78   HG13  VAL  12          3HG1      VAL  12   1.294  -1.850  -4.274
   79   HG21  VAL  12          3HG2      VAL  12   1.889  -0.655  -0.766
   80   HG22  VAL  12          1HG2      VAL  12   0.966  -0.347  -2.240
   81   HG23  VAL  12          2HG2      VAL  12   0.608  -1.788  -1.260
   82    H    CYS  13           H        CYS  13   5.302  -1.541  -1.809
   83    HA   CYS  13           HA       CYS  13   5.279  -0.710   1.060
   84    HB2  CYS  13           1HB      CYS  13   6.819  -2.582   0.823
   85    HB3  CYS  13           2HB      CYS  13   7.586  -1.787  -0.546
   86    H    GLY  14           H        GLY  14   5.689   1.379   1.398
   87    HA2  GLY  14           1HA      GLY  14   5.849   3.094  -0.960
   88    HA3  GLY  14           2HA      GLY  14   5.696   3.603   0.727
   89    H    LYS  15           H        LYS  15   7.233   5.157  -0.694
   90    HA   LYS  15           HA       LYS  15  10.022   4.331  -0.790
   91    HB2  LYS  15           1HB      LYS  15   8.720   7.076  -0.867
   92    HB3  LYS  15           2HB      LYS  15  10.452   6.782  -1.083
   93    HG2  LYS  15           1HG      LYS  15   9.889   5.273  -2.996
   94    HG3  LYS  15           2HG      LYS  15   8.216   5.794  -2.865
   95    HD2  LYS  15           1HD      LYS  15   8.974   8.152  -3.202
   96    HD3  LYS  15           2HD      LYS  15  10.619   7.536  -3.464
   97    HE2  LYS  15           1HE      LYS  15   8.143   6.895  -5.127
   98    HE3  LYS  15           2HE      LYS  15   9.509   7.914  -5.618
   99    HZ1  LYS  15           3HZ      LYS  15   9.520   4.984  -5.177
  100    HZ2  LYS  15           1HZ      LYS  15  10.909   5.856  -5.362
  101    HZ3  LYS  15           2HZ      LYS  15   9.804   5.784  -6.588
  102    H    ASP  16           H        ASP  16   7.967   5.191   1.761
  103    HA   ASP  16           HA       ASP  16  10.184   6.116   3.489
  104    HB2  ASP  16           1HB      ASP  16   8.465   6.645   5.089
  105    HB3  ASP  16           2HB      ASP  16   7.972   7.281   3.513
  106    H    GLY  17           H        GLY  17   9.337   3.227   2.361
  107    HA2  GLY  17           1HA      GLY  17  10.053   1.168   3.119
  108    HA3  GLY  17           2HA      GLY  17  10.443   1.880   4.682
  109    H    LYS  18           H        LYS  18   7.254   2.746   4.220
  110    HA   LYS  18           HA       LYS  18   6.491   0.609   6.081
  111    HB2  LYS  18           1HB      LYS  18   4.918   2.921   4.916
  112    HB3  LYS  18           2HB      LYS  18   4.310   1.803   6.145
  113    HG2  LYS  18           1HG      LYS  18   6.164   2.491   7.646
  114    HG3  LYS  18           2HG      LYS  18   6.690   3.652   6.414
  115    HD2  LYS  18           1HD      LYS  18   4.433   4.727   6.534
  116    HD3  LYS  18           2HD      LYS  18   4.017   3.626   7.861
  117    HE2  LYS  18           1HE      LYS  18   4.750   5.781   8.757
  118    HE3  LYS  18           2HE      LYS  18   5.932   4.521   9.179
  119    HZ1  LYS  18           3HZ      LYS  18   6.234   6.273   6.808
  120    HZ2  LYS  18           1HZ      LYS  18   7.375   5.292   7.480
  121    HZ3  LYS  18           2HZ      LYS  18   6.888   6.649   8.284
  122    H    THR  19           H        THR  19   5.222  -1.070   5.785
  123    HA   THR  19           HA       THR  19   4.531  -1.877   3.049
  124    HB   THR  19           HB       THR  19   4.018  -3.224   5.753
  125    HG1  THR  19           1HG      THR  19   6.001  -3.902   5.573
  126   HG21  THR  19          1HG2      THR  19   2.478  -4.093   4.086
  127   HG22  THR  19          2HG2      THR  19   3.765  -5.280   4.362
  128   HG23  THR  19          3HG2      THR  19   3.797  -4.262   2.901
  129    H    TYR  20           H        TYR  20   2.574  -1.603   2.147
  130    HA   TYR  20           HA       TYR  20   0.281  -0.909   3.950
  131    HB2  TYR  20           1HB      TYR  20   0.928  -0.010   1.135
  132    HB3  TYR  20           2HB      TYR  20  -0.653   0.214   1.891
  133    HD1  TYR  20           1HD      TYR  20  -0.962   1.763   3.764
  134    HD2  TYR  20           2HD      TYR  20   2.896   1.273   1.934
  135    HE1  TYR  20           1HE      TYR  20  -0.142   3.809   4.930
  136    HE2  TYR  20           2HE      TYR  20   3.705   3.331   3.087
  137    HH   TYR  20           HH       TYR  20   1.607   5.246   5.243
  138    H    SER  21           H        SER  21  -1.577  -2.083   3.719
  139    HA   SER  21           HA       SER  21  -1.261  -4.731   2.878
  140    HB2  SER  21           1HB      SER  21  -4.004  -3.524   2.975
  141    HB3  SER  21           2HB      SER  21  -3.405  -5.050   3.663
  142    HG   SER  21           HG       SER  21  -2.551  -3.963   5.344
  143    H    ASN  22           H        ASN  22  -3.274  -2.228   1.230
  144    HA   ASN  22           HA       ASN  22  -2.631  -3.664  -1.290
  145    HB2  ASN  22           1HB      ASN  22  -4.716  -2.574  -2.262
  146    HB3  ASN  22           2HB      ASN  22  -4.922  -3.956  -1.201
  147   HD21  ASN  22          2HD2      ASN  22  -6.551  -3.781   0.071
  148   HD22  ASN  22          1HD2      ASN  22  -7.117  -2.296   0.807
  149    H    LEU  23           H        LEU  23  -2.785  -2.101  -3.204
  150    HA   LEU  23           HA       LEU  23  -0.955   0.057  -2.851
  151    HB2  LEU  23           1HB      LEU  23  -1.379  -1.227  -4.953
  152    HB3  LEU  23           2HB      LEU  23  -2.947  -0.439  -5.082
  153    HG   LEU  23           HG       LEU  23  -1.808   1.758  -5.331
  154   HD11  LEU  23          1HD1      LEU  23   0.316   1.278  -4.176
  155   HD12  LEU  23          2HD1      LEU  23   0.609   1.816  -5.838
  156   HD13  LEU  23          3HD1      LEU  23   0.742   0.090  -5.431
  157   HD21  LEU  23          3HD2      LEU  23  -2.505   0.440  -7.285
  158   HD22  LEU  23          1HD2      LEU  23  -0.934  -0.399  -7.293
  159   HD23  LEU  23          2HD2      LEU  23  -1.020   1.348  -7.625
  160    H    CYS  24           H        CYS  24  -4.484  -0.081  -2.585
  161    HA   CYS  24           HA       CYS  24  -4.961   2.714  -2.963
  162    HB2  CYS  24           1HB      CYS  24  -6.777   1.070  -2.958
  163    HB3  CYS  24           2HB      CYS  24  -6.478   0.717  -1.257
  164    H    TRP  25           H        TRP  25  -4.359   0.801   0.054
  165    HA   TRP  25           HA       TRP  25  -4.525   3.096   1.742
  166    HB2  TRP  25           1HB      TRP  25  -3.024   0.483   2.110
  167    HB3  TRP  25           2HB      TRP  25  -3.183   1.729   3.358
  168    HD1  TRP  25           HD       TRP  25  -4.816  -1.367   2.411
  169    HE1  TRP  25           1HE      TRP  25  -7.179  -1.594   3.317
  170    HE3  TRP  25           3HE      TRP  25  -5.534   3.527   3.718
  171    HZ2  TRP  25           2HZ      TRP  25  -9.152   0.122   4.451
  172    HZ3  TRP  25           3HZ      TRP  25  -7.730   4.186   4.722
  173    HH2  TRP  25           HH       TRP  25  -9.518   2.484   5.079
  174    H    LEU  26           H        LEU  26  -1.850   1.843  -0.205
  175    HA   LEU  26           HA       LEU  26   0.196   3.526   0.924
  176    HB2  LEU  26           1HB      LEU  26   0.639   1.577  -0.486
  177    HB3  LEU  26           2HB      LEU  26  -0.178   2.310  -1.831
  178    HG   LEU  26           HG       LEU  26   2.336   2.118  -1.903
  179   HD11  LEU  26          1HD1      LEU  26   2.578   4.125  -3.212
  180   HD12  LEU  26          2HD1      LEU  26   1.178   4.870  -2.429
  181   HD13  LEU  26          3HD1      LEU  26   0.958   3.455  -3.483
  182   HD21  LEU  26          3HD2      LEU  26   2.178   4.559  -0.134
  183   HD22  LEU  26          1HD2      LEU  26   3.619   3.947  -0.962
  184   HD23  LEU  26          2HD2      LEU  26   2.850   2.973   0.305
  185    H    ASN  27           H        ASN  27  -2.105   3.925  -1.796
  186    HA   ASN  27           HA       ASN  27  -1.174   6.525  -2.554
  187    HB2  ASN  27           1HB      ASN  27  -2.534   5.053  -4.013
  188    HB3  ASN  27           2HB      ASN  27  -3.909   5.238  -2.913
  189   HD21  ASN  27          2HD2      ASN  27  -1.573   7.642  -4.162
  190   HD22  ASN  27          1HD2      ASN  27  -2.794   8.655  -4.890
  191    H    GLU  28           H        GLU  28  -3.783   5.474  -0.324
  192    HA   GLU  28           HA       GLU  28  -4.784   8.113   0.194
  193    HB2  GLU  28           1HB      GLU  28  -4.797   5.588   1.889
  194    HB3  GLU  28           2HB      GLU  28  -5.667   7.066   2.312
  195    HG2  GLU  28           1HG      GLU  28  -6.144   5.392  -0.174
  196    HG3  GLU  28           2HG      GLU  28  -7.155   5.411   1.272
  197    H    ALA  29           H        ALA  29  -2.051   6.291   1.531
  198    HA   ALA  29           HA       ALA  29  -1.614   8.165   3.713
  199    HB1  ALA  29           3HB      ALA  29   0.154   6.031   2.464
  200    HB2  ALA  29           1HB      ALA  29   0.531   6.935   3.951
  201    HB3  ALA  29           2HB      ALA  29  -0.883   5.855   3.897
  202    H    GLY  30           H        GLY  30  -0.965   8.190   0.328
  203    HA2  GLY  30           1HA      GLY  30  -0.177   9.984  -0.891
  204    HA3  GLY  30           2HA      GLY  30   0.259  10.807   0.608
  205    H    VAL  31           H        VAL  31   1.639   7.696   0.527
  206    HA   VAL  31           HA       VAL  31   4.261   8.902   0.032
  207    HB   VAL  31           HB       VAL  31   4.046   5.942   0.336
  208   HG11  VAL  31          1HG1      VAL  31   5.738   8.035   1.749
  209   HG12  VAL  31          2HG1      VAL  31   5.975   6.276   1.774
  210   HG13  VAL  31          3HG1      VAL  31   6.200   7.169   0.261
  211   HG21  VAL  31          3HG2      VAL  31   3.238   7.818   2.588
  212   HG22  VAL  31          1HG2      VAL  31   2.324   6.441   1.912
  213   HG23  VAL  31          2HG2      VAL  31   3.800   6.149   2.845
  214    H    GLY  32           H        GLY  32   5.553   8.392  -1.675
  215    HA2  GLY  32           1HA      GLY  32   4.296   7.415  -4.093
  216    HA3  GLY  32           2HA      GLY  32   6.030   7.755  -3.873
  217    H    LEU  33           H        LEU  33   4.715   5.416  -5.150
  218    HA   LEU  33           HA       LEU  33   5.069   3.139  -3.376
  219    HB2  LEU  33           1HB      LEU  33   3.577   3.151  -5.364
  220    HB3  LEU  33           2HB      LEU  33   4.977   3.376  -6.403
  221    HG   LEU  33           HG       LEU  33   5.811   1.132  -5.745
  222   HD11  LEU  33          1HD1      LEU  33   4.240  -0.415  -4.629
  223   HD12  LEU  33          2HD1      LEU  33   3.140   0.946  -4.310
  224   HD13  LEU  33          3HD1      LEU  33   4.750   0.899  -3.559
  225   HD21  LEU  33          3HD2      LEU  33   4.144  -0.126  -7.046
  226   HD22  LEU  33          1HD2      LEU  33   4.475   1.454  -7.783
  227   HD23  LEU  33          2HD2      LEU  33   2.978   1.204  -6.854
  228    H    ASP  34           H        ASP  34   6.864   1.731  -3.260
  229    HA   ASP  34           HA       ASP  34   9.200   2.501  -4.955
  230    HB2  ASP  34           1HB      ASP  34   9.192   3.055  -2.338
  231    HB3  ASP  34           2HB      ASP  34   9.748   1.387  -2.240
  232    H    HIS  35           H        HIS  35   8.042  -0.097  -2.731
  233    HA   HIS  35           HA       HIS  35   9.134  -2.032  -4.742
  234    HB2  HIS  35           1HB      HIS  35   8.672  -2.680  -1.835
  235    HB3  HIS  35           2HB      HIS  35   9.580  -3.599  -3.023
  236    HD1  HIS  35           1HD      HIS  35  11.883  -2.297  -3.913
  237    HD2  HIS  35           2HD      HIS  35  10.203  -0.989  -0.317
  238    HE1  HIS  35           1HE      HIS  35  13.698  -1.009  -2.686
  239    H    GLU  36           H        GLU  36   7.973  -4.046  -4.976
  240    HA   GLU  36           HA       GLU  36   5.059  -3.871  -4.307
  241    HB2  GLU  36           1HB      GLU  36   6.645  -5.688  -6.179
  242    HB3  GLU  36           2HB      GLU  36   4.923  -5.879  -5.824
  243    HG2  GLU  36           1HG      GLU  36   4.429  -3.728  -6.848
  244    HG3  GLU  36           2HG      GLU  36   6.150  -3.421  -7.114
  245    H    GLY  37           H        GLY  37   4.283  -5.657  -2.969
  246    HA2  GLY  37           1HA      GLY  37   4.586  -7.526  -1.582
  247    HA3  GLY  37           2HA      GLY  37   6.327  -7.513  -1.922
  248    H    GLU  38           H        GLU  38   5.905  -7.896   0.586
  249    HA   GLU  38           HA       GLU  38   5.442  -5.476   2.128
  250    HB2  GLU  38           1HB      GLU  38   6.551  -8.186   2.947
  251    HB3  GLU  38           2HB      GLU  38   6.007  -6.915   4.048
  252    HG2  GLU  38           1HG      GLU  38   3.714  -7.113   3.083
  253    HG3  GLU  38           2HG      GLU  38   4.276  -8.450   2.075
  254    H    CYS  39           H        CYS  39   6.981  -4.615   3.680
  255    HA   CYS  39           HA       CYS  39   9.850  -4.850   2.832
  256    HB2  CYS  39           1HB      CYS  39   8.150  -2.525   3.711
  257    HB3  CYS  39           2HB      CYS  39   9.843  -2.563   4.205
  258    H    LEU  40           H        LEU  40  11.320  -4.351   4.692
  259    HA   LEU  40           HA       LEU  40  10.317  -4.824   7.391
  260    HB2  LEU  40           1HB      LEU  40  11.594  -6.723   7.878
  261    HB3  LEU  40           2HB      LEU  40  10.790  -7.147   6.378
  262    HG   LEU  40           HG       LEU  40  13.697  -6.273   6.609
  263   HD11  LEU  40          1HD1      LEU  40  14.204  -8.661   6.327
  264   HD12  LEU  40          2HD1      LEU  40  12.465  -9.040   6.338
  265   HD13  LEU  40          3HD1      LEU  40  13.248  -8.374   7.791
  266   HD21  LEU  40          3HD2      LEU  40  13.902  -7.329   4.341
  267   HD22  LEU  40          1HD2      LEU  40  12.906  -5.864   4.358
  268   HD23  LEU  40          2HD2      LEU  40  12.126  -7.464   4.287
  Start of MODEL    2
    1    H1   GLU   1           1H       GLU   1  -5.052   4.758  -6.813
    2    H2   GLU   1           2H       GLU   1  -5.288   3.232  -6.236
    3    H3   GLU   1           3H       GLU   1  -5.466   3.532  -7.846
    4    HA   GLU   1           HA       GLU   1  -7.153   4.751  -5.759
    5    HB2  GLU   1           1HB      GLU   1  -7.314   4.610  -8.787
    6    HB3  GLU   1           2HB      GLU   1  -8.668   5.117  -7.771
    7    HG2  GLU   1           1HG      GLU   1  -7.345   6.999  -6.901
    8    HG3  GLU   1           2HG      GLU   1  -5.965   6.499  -7.891
    9    H    ALA   2           H        ALA   2  -9.514   3.913  -6.056
   10    HA   ALA   2           HA       ALA   2  -9.814   1.114  -6.824
   11    HB1  ALA   2           3HB      ALA   2 -10.246   0.293  -4.566
   12    HB2  ALA   2           1HB      ALA   2  -8.623   1.009  -4.576
   13    HB3  ALA   2           2HB      ALA   2  -9.978   1.917  -3.877
   14    H    ALA   3           H        ALA   3 -12.180   0.838  -5.129
   15    HA   ALA   3           HA       ALA   3 -14.072   2.742  -6.201
   16    HB1  ALA   3           3HB      ALA   3 -15.546   1.891  -4.311
   17    HB2  ALA   3           1HB      ALA   3 -14.903   0.600  -5.348
   18    HB3  ALA   3           2HB      ALA   3 -14.175   0.898  -3.753
   19    H    VAL   4           H        VAL   4 -12.987   2.265  -2.861
   20    HA   VAL   4           HA       VAL   4 -11.803   4.943  -2.931
   21    HB   VAL   4           HB       VAL   4 -12.549   5.090  -0.345
   22   HG11  VAL   4          1HG1      VAL   4 -12.856   6.866  -2.025
   23   HG12  VAL   4          2HG1      VAL   4 -14.300   6.039  -2.651
   24   HG13  VAL   4          3HG1      VAL   4 -14.295   6.699  -0.998
   25   HG21  VAL   4          3HG2      VAL   4 -14.905   4.461  -0.018
   26   HG22  VAL   4          1HG2      VAL   4 -15.006   3.810  -1.666
   27   HG23  VAL   4          2HG2      VAL   4 -13.973   3.019  -0.446
   28    H    CYS   5           H        CYS   5 -12.398   2.014  -1.187
   29    HA   CYS   5           HA       CYS   5  -9.486   1.699  -0.787
   30    HB2  CYS   5           1HB      CYS   5 -11.105   1.773   1.275
   31    HB3  CYS   5           2HB      CYS   5 -11.464   0.105   0.813
   32    H    THR   6           H        THR   6  -8.652  -0.540  -1.080
   33    HA   THR   6           HA       THR   6 -10.267  -2.182  -2.976
   34    HB   THR   6           HB       THR   6  -8.096  -3.537  -2.932
   35    HG1  THR   6           1HG      THR   6  -7.314  -2.796  -0.955
   36   HG21  THR   6          1HG2      THR   6  -6.803  -2.139  -4.365
   37   HG22  THR   6          2HG2      THR   6  -7.536  -0.672  -3.690
   38   HG23  THR   6          3HG2      THR   6  -8.510  -1.777  -4.695
   39    H    THR   7           H        THR   7 -10.680  -4.436  -2.203
   40    HA   THR   7           HA       THR   7 -10.329  -4.720   0.722
   41    HB   THR   7           HB       THR   7 -11.990  -6.605   0.539
   42    HG1  THR   7           1HG      THR   7 -12.994  -6.886  -1.444
   43   HG21  THR   7          1HG2      THR   7 -13.022  -4.012  -0.689
   44   HG22  THR   7          2HG2      THR   7 -12.759  -4.266   1.055
   45   HG23  THR   7          3HG2      THR   7 -13.967  -5.235   0.186
   46    H    GLU   8           H        GLU   8  -8.894  -5.245  -1.873
   47    HA   GLU   8           HA       GLU   8  -8.035  -8.000  -1.695
   48    HB2  GLU   8           1HB      GLU   8  -7.095  -5.658  -3.367
   49    HB3  GLU   8           2HB      GLU   8  -6.352  -7.261  -3.429
   50    HG2  GLU   8           1HG      GLU   8  -7.826  -7.641  -5.060
   51    HG3  GLU   8           2HG      GLU   8  -8.945  -7.969  -3.740
   52    H    TRP   9           H        TRP   9  -6.448  -8.868  -0.635
   53    HA   TRP   9           HA       TRP   9  -4.579  -7.342   1.018
   54    HB2  TRP   9           1HB      TRP   9  -5.075  -9.607   1.711
   55    HB3  TRP   9           2HB      TRP   9  -4.756 -10.237   0.091
   56    HD1  TRP   9           HD       TRP   9  -2.351 -11.158  -0.335
   57    HE1  TRP   9           1HE      TRP   9  -0.148 -11.253   0.900
   58    HE3  TRP   9           3HE      TRP   9  -3.530  -7.899   3.427
   59    HZ2  TRP   9           2HZ      TRP   9   0.994 -10.067   3.222
   60    HZ3  TRP   9           3HZ      TRP   9  -1.772  -7.379   5.123
   61    HH2  TRP   9           HH       TRP   9   0.461  -8.470   5.029
   62    H    ASP  10           H        ASP  10  -3.268  -6.002  -0.078
   63    HA   ASP  10           HA       ASP  10  -1.761  -7.137  -2.389
   64    HB2  ASP  10           1HB      ASP  10  -3.743  -5.767  -3.183
   65    HB3  ASP  10           2HB      ASP  10  -3.074  -4.372  -2.349
   66    HA   PRO  11           HA       PRO  11   0.591  -4.836   0.788
   67    HB2  PRO  11           1HB      PRO  11   2.825  -6.464   0.885
   68    HB3  PRO  11           2HB      PRO  11   1.406  -6.632   1.953
   69    HG2  PRO  11           1HG      PRO  11   2.106  -8.158  -0.500
   70    HG3  PRO  11           2HG      PRO  11   1.430  -8.723   1.033
   71    HD2  PRO  11           1HD      PRO  11  -0.114  -8.339  -1.163
   72    HD3  PRO  11           2HD      PRO  11  -0.719  -8.005   0.509
   73    H    VAL  12           H        VAL  12   1.936  -3.289   0.417
   74    HA   VAL  12           HA       VAL  12   3.801  -3.387  -1.886
   75    HB   VAL  12           HB       VAL  12   2.990  -1.035  -2.488
   76   HG11  VAL  12          1HG1      VAL  12   1.229  -1.798  -3.987
   77   HG12  VAL  12          2HG1      VAL  12   2.487  -3.042  -3.887
   78   HG13  VAL  12          3HG1      VAL  12   0.963  -3.250  -2.997
   79   HG21  VAL  12          3HG2      VAL  12   0.473  -1.886  -0.990
   80   HG22  VAL  12          1HG2      VAL  12   1.637  -0.667  -0.417
   81   HG23  VAL  12          2HG2      VAL  12   0.718  -0.385  -1.906
   82    H    CYS  13           H        CYS  13   5.333  -1.557  -1.692
   83    HA   CYS  13           HA       CYS  13   5.533  -0.598   1.132
   84    HB2  CYS  13           1HB      CYS  13   6.924  -2.602   0.752
   85    HB3  CYS  13           2HB      CYS  13   7.698  -1.790  -0.600
   86    H    GLY  14           H        GLY  14   5.849   1.510   1.283
   87    HA2  GLY  14           1HA      GLY  14   5.965   3.041  -1.203
   88    HA3  GLY  14           2HA      GLY  14   5.799   3.681   0.435
   89    H    LYS  15           H        LYS  15   7.304   5.170  -1.061
   90    HA   LYS  15           HA       LYS  15  10.103   4.467  -1.192
   91    HB2  LYS  15           1HB      LYS  15   8.675   7.153  -1.119
   92    HB3  LYS  15           2HB      LYS  15  10.416   6.964  -1.377
   93    HG2  LYS  15           1HG      LYS  15   9.908   5.538  -3.369
   94    HG3  LYS  15           2HG      LYS  15   8.204   5.912  -3.166
   95    HD2  LYS  15           1HD      LYS  15   8.694   8.311  -3.447
   96    HD3  LYS  15           2HD      LYS  15  10.417   7.921  -3.657
   97    HE2  LYS  15           1HE      LYS  15   9.828   6.491  -5.615
   98    HE3  LYS  15           2HE      LYS  15   8.127   6.962  -5.431
   99    HZ1  LYS  15           3HZ      LYS  15   8.794   9.263  -5.834
  100    HZ2  LYS  15           1HZ      LYS  15   9.249   8.306  -7.099
  101    HZ3  LYS  15           2HZ      LYS  15  10.373   8.818  -6.005
  102    H    ASP  16           H        ASP  16   8.074   5.434   1.409
  103    HA   ASP  16           HA       ASP  16  10.241   6.360   3.150
  104    HB2  ASP  16           1HB      ASP  16   7.824   7.163   3.188
  105    HB3  ASP  16           2HB      ASP  16   7.382   5.577   3.839
  106    H    GLY  17           H        GLY  17   9.567   3.387   1.925
  107    HA2  GLY  17           1HA      GLY  17  10.390   1.328   2.556
  108    HA3  GLY  17           2HA      GLY  17  10.977   2.038   4.063
  109    H    LYS  18           H        LYS  18   7.826   2.906   4.024
  110    HA   LYS  18           HA       LYS  18   7.210   0.833   5.976
  111    HB2  LYS  18           1HB      LYS  18   5.400   3.044   4.949
  112    HB3  LYS  18           2HB      LYS  18   5.212   2.119   6.440
  113    HG2  LYS  18           1HG      LYS  18   7.405   4.132   5.807
  114    HG3  LYS  18           2HG      LYS  18   6.047   4.373   6.908
  115    HD2  LYS  18           1HD      LYS  18   6.939   2.511   8.341
  116    HD3  LYS  18           2HD      LYS  18   8.349   2.405   7.270
  117    HE2  LYS  18           1HE      LYS  18   7.518   4.851   8.889
  118    HE3  LYS  18           2HE      LYS  18   8.841   3.740   9.285
  119    HZ1  LYS  18           3HZ      LYS  18   8.693   5.675   7.058
  120    HZ2  LYS  18           1HZ      LYS  18   9.765   4.424   7.013
  121    HZ3  LYS  18           2HZ      LYS  18   9.850   5.545   8.223
  122    H    THR  19           H        THR  19   5.929  -0.870   5.780
  123    HA   THR  19           HA       THR  19   4.893  -1.581   3.126
  124    HB   THR  19           HB       THR  19   4.750  -3.089   5.784
  125    HG1  THR  19           1HG      THR  19   6.653  -3.995   5.205
  126   HG21  THR  19          1HG2      THR  19   4.369  -3.962   2.886
  127   HG22  THR  19          2HG2      THR  19   3.149  -3.983   4.183
  128   HG23  THR  19          3HG2      THR  19   4.540  -5.080   4.262
  129    H    TYR  20           H        TYR  20   2.801  -1.465   2.532
  130    HA   TYR  20           HA       TYR  20   0.774  -0.880   4.670
  131    HB2  TYR  20           1HB      TYR  20   0.911  -0.025   1.753
  132    HB3  TYR  20           2HB      TYR  20  -0.513   0.176   2.780
  133    HD1  TYR  20           2HD      TYR  20   2.981   1.296   2.201
  134    HD2  TYR  20           1HD      TYR  20  -0.561   1.853   4.579
  135    HE1  TYR  20           2HE      TYR  20   3.931   3.398   3.140
  136    HE2  TYR  20           1HE      TYR  20   0.400   3.951   5.511
  137    HH   TYR  20           HH       TYR  20   2.195   5.363   5.558
  138    H    SER  21           H        SER  21  -0.968  -2.301   4.717
  139    HA   SER  21           HA       SER  21  -0.434  -4.874   3.621
  140    HB2  SER  21           1HB      SER  21  -2.631  -5.499   4.549
  141    HB3  SER  21           2HB      SER  21  -1.669  -4.569   5.715
  142    HG   SER  21           HG       SER  21  -4.078  -4.064   5.051
  143    H    ASN  22           H        ASN  22  -2.912  -2.445   2.722
  144    HA   ASN  22           HA       ASN  22  -3.175  -3.931   0.153
  145    HB2  ASN  22           1HB      ASN  22  -5.144  -1.874   1.113
  146    HB3  ASN  22           2HB      ASN  22  -5.304  -3.013  -0.224
  147   HD21  ASN  22          2HD2      ASN  22  -7.329  -2.838   1.604
  148   HD22  ASN  22          1HD2      ASN  22  -7.368  -4.292   2.570
  149    H    LEU  23           H        LEU  23  -3.459  -2.537  -1.730
  150    HA   LEU  23           HA       LEU  23  -1.537  -0.376  -1.873
  151    HB2  LEU  23           1HB      LEU  23  -2.140  -1.803  -3.794
  152    HB3  LEU  23           2HB      LEU  23  -3.789  -1.197  -3.743
  153    HG   LEU  23           HG       LEU  23  -2.979   1.056  -4.380
  154   HD11  LEU  23          1HD1      LEU  23  -0.275  -0.316  -4.679
  155   HD12  LEU  23          2HD1      LEU  23  -0.678   0.969  -3.516
  156   HD13  LEU  23          3HD1      LEU  23  -0.675   1.318  -5.252
  157   HD21  LEU  23          3HD2      LEU  23  -2.129  -1.224  -6.210
  158   HD22  LEU  23          1HD2      LEU  23  -2.435   0.455  -6.719
  159   HD23  LEU  23          2HD2      LEU  23  -3.763  -0.531  -6.073
  160    H    CYS  24           H        CYS  24  -4.893  -0.674  -1.075
  161    HA   CYS  24           HA       CYS  24  -5.862   1.948  -1.462
  162    HB2  CYS  24           1HB      CYS  24  -7.344   0.237  -0.804
  163    HB3  CYS  24           2HB      CYS  24  -6.360  -0.231   0.567
  164    H    TRP  25           H        TRP  25  -4.195   0.558   1.425
  165    HA   TRP  25           HA       TRP  25  -4.330   3.059   2.809
  166    HB2  TRP  25           1HB      TRP  25  -2.468   0.734   3.338
  167    HB3  TRP  25           2HB      TRP  25  -2.939   2.005   4.476
  168    HD1  TRP  25           HD       TRP  25  -3.647  -1.436   4.026
  169    HE1  TRP  25           1HE      TRP  25  -5.959  -2.184   4.761
  170    HE3  TRP  25           3HE      TRP  25  -5.844   3.184   4.256
  171    HZ2  TRP  25           2HZ      TRP  25  -8.459  -0.956   5.358
  172    HZ3  TRP  25           3HZ      TRP  25  -8.250   3.330   4.921
  173    HH2  TRP  25           HH       TRP  25  -9.536   1.265   5.469
  174    H    LEU  26           H        LEU  26  -1.936   1.617   0.639
  175    HA   LEU  26           HA       LEU  26   0.160   3.509   1.182
  176    HB2  LEU  26           1HB      LEU  26   0.415   1.383  -0.052
  177    HB3  LEU  26           2HB      LEU  26  -0.558   2.004  -1.359
  178    HG   LEU  26           HG       LEU  26   1.911   1.816  -1.747
  179   HD11  LEU  26          1HD1      LEU  26   2.083   3.763  -3.120
  180   HD12  LEU  26          2HD1      LEU  26   0.850   4.619  -2.180
  181   HD13  LEU  26          3HD1      LEU  26   0.399   3.207  -3.166
  182   HD21  LEU  26          3HD2      LEU  26   2.054   4.285  -0.017
  183   HD22  LEU  26          1HD2      LEU  26   3.372   3.577  -0.972
  184   HD23  LEU  26          2HD2      LEU  26   2.687   2.673   0.392
  185    H    ASN  27           H        ASN  27  -2.577   3.454  -1.121
  186    HA   ASN  27           HA       ASN  27  -1.954   5.873  -2.474
  187    HB2  ASN  27           1HB      ASN  27  -3.695   4.034  -3.038
  188    HB3  ASN  27           2HB      ASN  27  -4.778   4.874  -1.921
  189   HD21  ASN  27          2HD2      ASN  27  -4.482   7.501  -2.444
  190   HD22  ASN  27          1HD2      ASN  27  -4.853   7.839  -4.114
  191    H    GLU  28           H        GLU  28  -4.017   5.272   0.424
  192    HA   GLU  28           HA       GLU  28  -4.742   8.074   0.566
  193    HB2  GLU  28           1HB      GLU  28  -5.027   5.895   2.664
  194    HB3  GLU  28           2HB      GLU  28  -5.787   7.493   2.704
  195    HG2  GLU  28           1HG      GLU  28  -6.343   5.219   0.784
  196    HG3  GLU  28           2HG      GLU  28  -7.460   5.969   1.924
  197    H    ALA  29           H        ALA  29  -2.052   6.228   1.841
  198    HA   ALA  29           HA       ALA  29  -1.357   8.235   3.841
  199    HB1  ALA  29           3HB      ALA  29  -0.665   5.922   4.141
  200    HB2  ALA  29           1HB      ALA  29   0.216   5.946   2.597
  201    HB3  ALA  29           2HB      ALA  29   0.775   6.952   3.958
  202    H    GLY  30           H        GLY  30  -1.012   7.928   0.408
  203    HA2  GLY  30           1HA      GLY  30  -0.266   9.532  -1.066
  204    HA3  GLY  30           2HA      GLY  30   0.217  10.541   0.299
  205    H    VAL  31           H        VAL  31   1.679   7.511   0.619
  206    HA   VAL  31           HA       VAL  31   4.261   8.636  -0.011
  207    HB   VAL  31           HB       VAL  31   3.971   5.668   0.286
  208   HG11  VAL  31          1HG1      VAL  31   5.804   7.720   1.587
  209   HG12  VAL  31          2HG1      VAL  31   5.959   5.953   1.698
  210   HG13  VAL  31          3HG1      VAL  31   6.177   6.763   0.131
  211   HG21  VAL  31          3HG2      VAL  31   3.294   7.603   2.519
  212   HG22  VAL  31          1HG2      VAL  31   2.344   6.220   1.910
  213   HG23  VAL  31          2HG2      VAL  31   3.841   5.936   2.804
  214    H    GLY  32           H        GLY  32   5.425   8.324  -1.810
  215    HA2  GLY  32           1HA      GLY  32   4.146   7.346  -4.193
  216    HA3  GLY  32           2HA      GLY  32   5.882   7.715  -4.020
  217    H    LEU  33           H        LEU  33   4.367   5.334  -5.203
  218    HA   LEU  33           HA       LEU  33   4.909   3.075  -3.484
  219    HB2  LEU  33           1HB      LEU  33   3.275   3.083  -5.371
  220    HB3  LEU  33           2HB      LEU  33   4.607   3.284  -6.504
  221    HG   LEU  33           HG       LEU  33   5.478   1.045  -5.845
  222   HD11  LEU  33          1HD1      LEU  33   4.552   0.851  -3.596
  223   HD12  LEU  33          2HD1      LEU  33   3.953  -0.472  -4.606
  224   HD13  LEU  33          3HD1      LEU  33   2.895   0.911  -4.244
  225   HD21  LEU  33          3HD2      LEU  33   4.022   1.331  -7.808
  226   HD22  LEU  33          1HD2      LEU  33   2.583   1.102  -6.785
  227   HD23  LEU  33          2HD2      LEU  33   3.734  -0.233  -7.020
  228    H    ASP  34           H        ASP  34   6.753   1.749  -3.421
  229    HA   ASP  34           HA       ASP  34   8.955   2.521  -5.304
  230    HB2  ASP  34           1HB      ASP  34   9.367   3.298  -2.939
  231    HB3  ASP  34           2HB      ASP  34   9.345   1.610  -2.424
  232    H    HIS  35           H        HIS  35   7.940  -0.042  -2.958
  233    HA   HIS  35           HA       HIS  35   8.835  -2.019  -5.014
  234    HB2  HIS  35           1HB      HIS  35   8.536  -2.682  -2.108
  235    HB3  HIS  35           2HB      HIS  35   9.478  -3.511  -3.338
  236    HD1  HIS  35           1HD      HIS  35  11.699  -2.073  -4.210
  237    HD2  HIS  35           2HD      HIS  35   9.944  -0.872  -0.620
  238    HE1  HIS  35           1HE      HIS  35  13.391  -0.582  -3.030
  239    H    GLU  36           H        GLU  36   7.493  -3.896  -5.302
  240    HA   GLU  36           HA       GLU  36   4.715  -3.598  -4.221
  241    HB2  GLU  36           1HB      GLU  36   5.796  -5.252  -6.547
  242    HB3  GLU  36           2HB      GLU  36   4.140  -5.337  -5.924
  243    HG2  GLU  36           1HG      GLU  36   3.878  -2.901  -6.460
  244    HG3  GLU  36           2HG      GLU  36   5.469  -2.946  -7.239
  245    H    GLY  37           H        GLY  37   4.007  -5.423  -2.960
  246    HA2  GLY  37           1HA      GLY  37   4.388  -7.424  -1.773
  247    HA3  GLY  37           2HA      GLY  37   6.077  -7.447  -2.326
  248    H    GLU  38           H        GLU  38   5.684  -7.916   0.247
  249    HA   GLU  38           HA       GLU  38   5.529  -5.583   1.917
  250    HB2  GLU  38           1HB      GLU  38   6.800  -8.224   2.673
  251    HB3  GLU  38           2HB      GLU  38   5.991  -7.071   3.727
  252    HG2  GLU  38           1HG      GLU  38   4.325  -8.660   3.541
  253    HG3  GLU  38           2HG      GLU  38   3.904  -7.644   2.191
  254    H    CYS  39           H        CYS  39   7.079  -4.609   3.221
  255    HA   CYS  39           HA       CYS  39   9.968  -5.223   2.653
  256    HB2  CYS  39           1HB      CYS  39   8.609  -2.685   3.673
  257    HB3  CYS  39           2HB      CYS  39  10.328  -3.004   3.882
  258    H    LEU  40           H        LEU  40  11.205  -5.122   4.788
  259    HA   LEU  40           HA       LEU  40   9.612  -5.505   7.229
  260    HB2  LEU  40           1HB      LEU  40   9.783  -7.797   6.217
  261    HB3  LEU  40           2HB      LEU  40  11.532  -7.596   6.115
  262    HG   LEU  40           HG       LEU  40  11.676  -7.524   8.580
  263   HD11  LEU  40          1HD1      LEU  40   8.676  -8.038   8.448
  264   HD12  LEU  40          2HD1      LEU  40   9.499  -6.636   9.175
  265   HD13  LEU  40          3HD1      LEU  40   9.676  -8.239   9.907
  266   HD21  LEU  40          3HD2      LEU  40  11.923  -9.638   7.347
  267   HD22  LEU  40          1HD2      LEU  40  10.168  -9.922   7.466
  268   HD23  LEU  40          2HD2      LEU  40  11.174  -9.904   8.934
  Start of MODEL    3
    1    H1   GLU   1           1H       GLU   1 -17.399  11.574  -6.141
    2    H2   GLU   1           2H       GLU   1 -15.770  11.691  -5.924
    3    H3   GLU   1           3H       GLU   1 -16.446  12.150  -7.360
    4    HA   GLU   1           HA       GLU   1 -17.143   9.881  -7.800
    5    HB2  GLU   1           1HB      GLU   1 -14.971  10.793  -8.632
    6    HB3  GLU   1           2HB      GLU   1 -14.180  10.211  -7.170
    7    HG2  GLU   1           1HG      GLU   1 -13.665   8.662  -8.918
    8    HG3  GLU   1           2HG      GLU   1 -14.812   7.851  -7.853
    9    H    ALA   2           H        ALA   2 -17.490   7.792  -7.025
   10    HA   ALA   2           HA       ALA   2 -17.377   7.432  -4.161
   11    HB1  ALA   2           3HB      ALA   2 -19.118   6.368  -5.585
   12    HB2  ALA   2           1HB      ALA   2 -17.856   5.420  -6.415
   13    HB3  ALA   2           2HB      ALA   2 -18.186   5.146  -4.690
   14    H    ALA   3           H        ALA   3 -16.093   5.855  -3.016
   15    HA   ALA   3           HA       ALA   3 -13.343   5.691  -3.924
   16    HB1  ALA   3           3HB      ALA   3 -13.945   5.840  -1.508
   17    HB2  ALA   3           1HB      ALA   3 -14.778   4.268  -1.625
   18    HB3  ALA   3           2HB      ALA   3 -13.016   4.363  -1.854
   19    H    VAL   4           H        VAL   4 -12.286   3.895  -4.766
   20    HA   VAL   4           HA       VAL   4 -14.025   1.596  -5.560
   21    HB   VAL   4           HB       VAL   4 -12.736   1.469  -7.679
   22   HG11  VAL   4          1HG1      VAL   4 -13.791   3.355  -8.798
   23   HG12  VAL   4          2HG1      VAL   4 -14.888   2.728  -7.550
   24   HG13  VAL   4          3HG1      VAL   4 -13.972   4.224  -7.257
   25   HG21  VAL   4          3HG2      VAL   4 -11.503   4.140  -6.824
   26   HG22  VAL   4          1HG2      VAL   4 -10.638   2.583  -6.891
   27   HG23  VAL   4          2HG2      VAL   4 -11.265   3.314  -8.379
   28    H    CYS   5           H        CYS   5 -11.488   2.362  -3.596
   29    HA   CYS   5           HA       CYS   5  -9.681   0.212  -4.413
   30    HB2  CYS   5           1HB      CYS   5  -9.220   2.518  -3.191
   31    HB3  CYS   5           2HB      CYS   5  -9.551   1.575  -1.733
   32    H    THR   6           H        THR   6  -9.480  -1.812  -3.436
   33    HA   THR   6           HA       THR   6 -11.835  -2.674  -1.908
   34    HB   THR   6           HB       THR   6 -10.948  -4.930  -2.517
   35    HG1  THR   6           1HG      THR   6  -9.224  -4.881  -4.113
   36   HG21  THR   6          1HG2      THR   6 -11.444  -4.793  -4.892
   37   HG22  THR   6          2HG2      THR   6 -11.123  -3.045  -4.897
   38   HG23  THR   6          3HG2      THR   6 -12.529  -3.690  -4.017
   39    H    THR   7           H        THR   7 -11.529  -4.437  -0.279
   40    HA   THR   7           HA       THR   7  -9.406  -3.711   1.629
   41    HB   THR   7           HB       THR   7 -10.689  -5.328   3.122
   42    HG1  THR   7           1HG      THR   7 -12.595  -6.151   2.312
   43   HG21  THR   7          1HG2      THR   7 -12.418  -3.175   1.828
   44   HG22  THR   7          2HG2      THR   7 -11.201  -2.873   3.093
   45   HG23  THR   7          3HG2      THR   7 -12.623  -3.879   3.447
   46    H    GLU   8           H        GLU   8  -9.035  -5.225  -0.930
   47    HA   GLU   8           HA       GLU   8  -8.329  -7.946  -0.236
   48    HB2  GLU   8           1HB      GLU   8  -7.743  -6.163  -2.607
   49    HB3  GLU   8           2HB      GLU   8  -7.075  -7.794  -2.469
   50    HG2  GLU   8           1HG      GLU   8  -9.254  -8.780  -2.442
   51    HG3  GLU   8           2HG      GLU   8 -10.027  -7.198  -2.314
   52    H    TRP   9           H        TRP   9  -6.535  -8.727   0.591
   53    HA   TRP   9           HA       TRP   9  -4.383  -7.125   1.598
   54    HB2  TRP   9           1HB      TRP   9  -4.753  -9.331   2.507
   55    HB3  TRP   9           2HB      TRP   9  -4.651 -10.076   0.909
   56    HD1  TRP   9           HD       TRP   9  -2.339 -11.086   0.286
   57    HE1  TRP   9           1HE      TRP   9   0.019 -11.064   1.196
   58    HE3  TRP   9           3HE      TRP   9  -2.981  -7.417   3.795
   59    HZ2  TRP   9           2HZ      TRP   9   1.497  -9.602   3.144
   60    HZ3  TRP   9           3HZ      TRP   9  -0.992  -6.709   5.133
   61    HH2  TRP   9           HH       TRP   9   1.220  -7.805   4.813
   62    H    ASP  10           H        ASP  10  -3.184  -5.890   0.333
   63    HA   ASP  10           HA       ASP  10  -2.042  -7.039  -2.167
   64    HB2  ASP  10           1HB      ASP  10  -4.069  -5.670  -2.731
   65    HB3  ASP  10           2HB      ASP  10  -3.351  -4.298  -1.895
   66    HA   PRO  11           HA       PRO  11   0.680  -4.859   0.845
   67    HB2  PRO  11           1HB      PRO  11   2.862  -6.557   0.709
   68    HB3  PRO  11           2HB      PRO  11   1.474  -6.789   1.815
   69    HG2  PRO  11           1HG      PRO  11   1.947  -8.055  -0.877
   70    HG3  PRO  11           2HG      PRO  11   1.471  -8.815   0.659
   71    HD2  PRO  11           1HD      PRO  11  -0.345  -8.229  -1.213
   72    HD3  PRO  11           2HD      PRO  11  -0.699  -7.958   0.535
   73    H    VAL  12           H        VAL  12   1.962  -3.265   0.374
   74    HA   VAL  12           HA       VAL  12   3.711  -3.377  -2.023
   75    HB   VAL  12           HB       VAL  12   2.997  -1.032  -2.626
   76   HG11  VAL  12          1HG1      VAL  12   0.721  -3.058  -2.785
   77   HG12  VAL  12          2HG1      VAL  12   0.962  -1.654  -3.842
   78   HG13  VAL  12          3HG1      VAL  12   2.119  -2.997  -3.881
   79   HG21  VAL  12          3HG2      VAL  12   0.633  -1.573  -0.765
   80   HG22  VAL  12          1HG2      VAL  12   1.955  -0.421  -0.449
   81   HG23  VAL  12          2HG2      VAL  12   0.855  -0.154  -1.812
   82    H    CYS  13           H        CYS  13   5.367  -1.669  -1.862
   83    HA   CYS  13           HA       CYS  13   5.820  -0.871   0.994
   84    HB2  CYS  13           1HB      CYS  13   7.334  -2.667   0.064
   85    HB3  CYS  13           2HB      CYS  13   7.868  -1.493  -1.141
   86    H    GLY  14           H        GLY  14   5.873   1.276   1.289
   87    HA2  GLY  14           1HA      GLY  14   5.736   3.025  -1.058
   88    HA3  GLY  14           2HA      GLY  14   5.664   3.517   0.643
   89    H    LYS  15           H        LYS  15   7.101   5.074  -1.057
   90    HA   LYS  15           HA       LYS  15   9.895   4.336  -1.216
   91    HB2  LYS  15           1HB      LYS  15   8.491   7.034  -1.339
   92    HB3  LYS  15           2HB      LYS  15  10.224   6.793  -1.638
   93    HG2  LYS  15           1HG      LYS  15   9.659   5.182  -3.426
   94    HG3  LYS  15           2HG      LYS  15   7.952   5.534  -3.205
   95    HD2  LYS  15           1HD      LYS  15   8.402   7.907  -3.776
   96    HD3  LYS  15           2HD      LYS  15  10.097   7.475  -4.094
   97    HE2  LYS  15           1HE      LYS  15   7.659   6.285  -5.492
   98    HE3  LYS  15           2HE      LYS  15   8.731   7.518  -6.181
   99    HZ1  LYS  15           3HZ      LYS  15   9.667   4.814  -5.365
  100    HZ2  LYS  15           1HZ      LYS  15  10.510   5.937  -6.221
  101    HZ3  LYS  15           2HZ      LYS  15   9.204   5.193  -6.900
  102    H    ASP  16           H        ASP  16   8.002   5.255   1.440
  103    HA   ASP  16           HA       ASP  16  10.198   6.360   3.041
  104    HB2  ASP  16           1HB      ASP  16   7.747   6.955   3.311
  105    HB3  ASP  16           2HB      ASP  16   7.473   5.310   3.906
  106    H    GLY  17           H        GLY  17   9.617   3.328   1.806
  107    HA2  GLY  17           1HA      GLY  17  10.648   1.333   2.329
  108    HA3  GLY  17           2HA      GLY  17  11.361   2.084   3.763
  109    H    LYS  18           H        LYS  18   7.926   2.373   3.466
  110    HA   LYS  18           HA       LYS  18   7.676   0.367   5.663
  111    HB2  LYS  18           1HB      LYS  18   5.760   2.620   4.986
  112    HB3  LYS  18           2HB      LYS  18   5.752   1.603   6.427
  113    HG2  LYS  18           1HG      LYS  18   7.830   3.695   5.685
  114    HG3  LYS  18           2HG      LYS  18   6.598   3.834   6.940
  115    HD2  LYS  18           1HD      LYS  18   7.685   1.859   8.102
  116    HD3  LYS  18           2HD      LYS  18   8.999   1.962   6.915
  117    HE2  LYS  18           1HE      LYS  18   8.155   4.141   8.871
  118    HE3  LYS  18           2HE      LYS  18   9.607   3.132   8.983
  119    HZ1  LYS  18           3HZ      LYS  18  10.301   5.155   8.053
  120    HZ2  LYS  18           1HZ      LYS  18   9.021   5.267   7.024
  121    HZ3  LYS  18           2HZ      LYS  18  10.205   4.157   6.740
  122    H    THR  19           H        THR  19   6.254  -1.265   5.567
  123    HA   THR  19           HA       THR  19   5.006  -1.886   2.988
  124    HB   THR  19           HB       THR  19   4.971  -3.326   5.693
  125    HG1  THR  19           1HG      THR  19   6.894  -3.853   4.939
  126   HG21  THR  19          1HG2      THR  19   3.941  -4.220   2.966
  127   HG22  THR  19          2HG2      THR  19   2.966  -3.952   4.433
  128   HG23  THR  19          3HG2      THR  19   4.141  -5.273   4.386
  129    H    TYR  20           H        TYR  20   2.934  -1.577   2.458
  130    HA   TYR  20           HA       TYR  20   1.023  -0.813   4.639
  131    HB2  TYR  20           1HB      TYR  20   1.149   0.007   1.724
  132    HB3  TYR  20           2HB      TYR  20  -0.255   0.287   2.764
  133    HD1  TYR  20           2HD      TYR  20   3.284   1.228   2.148
  134    HD2  TYR  20           1HD      TYR  20  -0.201   1.918   4.561
  135    HE1  TYR  20           2HE      TYR  20   4.340   3.284   3.083
  136    HE2  TYR  20           1HE      TYR  20   0.863   3.974   5.501
  137    HH   TYR  20           HH       TYR  20   2.731   5.314   5.525
  138    H    SER  21           H        SER  21  -0.797  -2.043   4.802
  139    HA   SER  21           HA       SER  21  -0.630  -4.680   3.881
  140    HB2  SER  21           1HB      SER  21  -3.235  -3.363   4.681
  141    HB3  SER  21           2HB      SER  21  -2.688  -5.026   4.988
  142    HG   SER  21           HG       SER  21  -2.332  -3.938   6.866
  143    H    ASN  22           H        ASN  22  -2.988  -2.182   2.784
  144    HA   ASN  22           HA       ASN  22  -2.983  -3.605   0.183
  145    HB2  ASN  22           1HB      ASN  22  -5.187  -2.645  -0.347
  146    HB3  ASN  22           2HB      ASN  22  -5.218  -3.783   0.996
  147   HD21  ASN  22          2HD2      ASN  22  -7.311  -2.685   1.320
  148   HD22  ASN  22          1HD2      ASN  22  -7.309  -1.255   2.326
  149    H    LEU  23           H        LEU  23  -3.306  -2.135  -1.698
  150    HA   LEU  23           HA       LEU  23  -1.428   0.012  -1.729
  151    HB2  LEU  23           1HB      LEU  23  -2.198  -1.281  -3.700
  152    HB3  LEU  23           2HB      LEU  23  -3.804  -0.584  -3.528
  153    HG   LEU  23           HG       LEU  23  -2.873   1.660  -4.049
  154   HD11  LEU  23          1HD1      LEU  23  -0.307   0.122  -4.605
  155   HD12  LEU  23          2HD1      LEU  23  -0.546   1.338  -3.329
  156   HD13  LEU  23          3HD1      LEU  23  -0.611   1.821  -5.032
  157   HD21  LEU  23          3HD2      LEU  23  -2.524   1.203  -6.447
  158   HD22  LEU  23          1HD2      LEU  23  -3.865   0.243  -5.791
  159   HD23  LEU  23          2HD2      LEU  23  -2.286  -0.524  -6.085
  160    H    CYS  24           H        CYS  24  -4.830  -0.152  -0.845
  161    HA   CYS  24           HA       CYS  24  -5.493   2.577  -1.202
  162    HB2  CYS  24           1HB      CYS  24  -6.575   0.907   1.062
  163    HB3  CYS  24           2HB      CYS  24  -7.406   2.114   0.075
  164    H    TRP  25           H        TRP  25  -4.113   0.878   1.691
  165    HA   TRP  25           HA       TRP  25  -4.083   3.303   3.253
  166    HB2  TRP  25           1HB      TRP  25  -2.648   0.654   3.519
  167    HB3  TRP  25           2HB      TRP  25  -2.349   2.011   4.615
  168    HD1  TRP  25           HD       TRP  25  -4.535  -0.903   4.375
  169    HE1  TRP  25           1HE      TRP  25  -6.527  -0.777   5.952
  170    HE3  TRP  25           3HE      TRP  25  -4.180   4.060   5.539
  171    HZ2  TRP  25           2HZ      TRP  25  -7.836   1.232   7.501
  172    HZ3  TRP  25           3HZ      TRP  25  -5.870   5.050   7.099
  173    HH2  TRP  25           HH       TRP  25  -7.682   3.633   8.065
  174    H    LEU  26           H        LEU  26  -1.804   1.894   0.935
  175    HA   LEU  26           HA       LEU  26   0.412   3.618   1.575
  176    HB2  LEU  26           1HB      LEU  26   0.576   1.616   0.163
  177    HB3  LEU  26           2HB      LEU  26  -0.467   2.327  -1.031
  178    HG   LEU  26           HG       LEU  26   1.994   2.124  -1.552
  179   HD11  LEU  26          1HD1      LEU  26   0.790   4.883  -1.900
  180   HD12  LEU  26          2HD1      LEU  26   0.367   3.459  -2.878
  181   HD13  LEU  26          3HD1      LEU  26   2.018   4.107  -2.911
  182   HD21  LEU  26          3HD2      LEU  26   3.448   3.933  -0.873
  183   HD22  LEU  26          1HD2      LEU  26   2.886   3.008   0.531
  184   HD23  LEU  26          2HD2      LEU  26   2.178   4.599   0.170
  185    H    ASN  27           H        ASN  27  -2.382   3.898  -0.641
  186    HA   ASN  27           HA       ASN  27  -1.678   6.481  -1.650
  187    HB2  ASN  27           1HB      ASN  27  -3.296   4.888  -2.707
  188    HB3  ASN  27           2HB      ASN  27  -4.429   5.200  -1.387
  189   HD21  ASN  27          2HD2      ASN  27  -2.361   7.644  -2.920
  190   HD22  ASN  27          1HD2      ASN  27  -3.678   8.533  -3.636
  191    H    GLU  28           H        GLU  28  -3.745   5.469   1.109
  192    HA   GLU  28           HA       GLU  28  -4.666   8.096   1.777
  193    HB2  GLU  28           1HB      GLU  28  -4.222   5.594   3.436
  194    HB3  GLU  28           2HB      GLU  28  -4.876   7.078   4.123
  195    HG2  GLU  28           1HG      GLU  28  -6.138   5.460   1.885
  196    HG3  GLU  28           2HG      GLU  28  -6.657   5.491   3.573
  197    H    ALA  29           H        ALA  29  -1.647   6.388   2.541
  198    HA   ALA  29           HA       ALA  29  -0.835   8.373   4.515
  199    HB1  ALA  29           3HB      ALA  29   0.665   6.138   3.103
  200    HB2  ALA  29           1HB      ALA  29   1.326   7.135   4.423
  201    HB3  ALA  29           2HB      ALA  29  -0.076   6.080   4.718
  202    H    GLY  30           H        GLY  30  -0.851   8.253   1.081
  203    HA2  GLY  30           1HA      GLY  30  -0.247   9.931  -0.373
  204    HA3  GLY  30           2HA      GLY  30   0.397  10.855   0.985
  205    H    VAL  31           H        VAL  31   1.768   7.716   0.784
  206    HA   VAL  31           HA       VAL  31   4.293   8.919  -0.094
  207    HB   VAL  31           HB       VAL  31   4.155   5.972   0.348
  208   HG11  VAL  31          1HG1      VAL  31   5.971   8.160   1.435
  209   HG12  VAL  31          2HG1      VAL  31   6.227   6.411   1.601
  210   HG13  VAL  31          3HG1      VAL  31   6.279   7.160  -0.006
  211   HG21  VAL  31          3HG2      VAL  31   4.198   6.261   2.857
  212   HG22  VAL  31          1HG2      VAL  31   3.592   7.916   2.616
  213   HG23  VAL  31          2HG2      VAL  31   2.623   6.510   2.094
  214    H    GLY  32           H        GLY  32   5.364   8.276  -1.926
  215    HA2  GLY  32           1HA      GLY  32   3.758   7.188  -4.098
  216    HA3  GLY  32           2HA      GLY  32   5.501   7.562  -4.157
  217    H    LEU  33           H        LEU  33   4.112   5.118  -5.097
  218    HA   LEU  33           HA       LEU  33   4.849   2.993  -3.217
  219    HB2  LEU  33           1HB      LEU  33   2.974   2.788  -4.832
  220    HB3  LEU  33           2HB      LEU  33   4.101   2.949  -6.173
  221    HG   LEU  33           HG       LEU  33   4.611   0.713  -4.255
  222   HD11  LEU  33          1HD1      LEU  33   2.299   0.731  -6.231
  223   HD12  LEU  33          2HD1      LEU  33   2.181   0.656  -4.456
  224   HD13  LEU  33          3HD1      LEU  33   2.905  -0.693  -5.352
  225   HD21  LEU  33          3HD2      LEU  33   5.176  -0.503  -6.307
  226   HD22  LEU  33          1HD2      LEU  33   6.015   1.056  -6.305
  227   HD23  LEU  33          2HD2      LEU  33   4.568   0.835  -7.308
  228    H    ASP  34           H        ASP  34   6.736   1.756  -3.296
  229    HA   ASP  34           HA       ASP  34   8.732   2.590  -5.381
  230    HB2  ASP  34           1HB      ASP  34   9.132   3.058  -2.811
  231    HB3  ASP  34           2HB      ASP  34   9.557   1.350  -2.757
  232    H    HIS  35           H        HIS  35   7.952  -0.120  -3.133
  233    HA   HIS  35           HA       HIS  35   8.620  -1.956  -5.383
  234    HB2  HIS  35           1HB      HIS  35   8.588  -2.801  -2.515
  235    HB3  HIS  35           2HB      HIS  35   9.356  -3.587  -3.891
  236    HD1  HIS  35           1HD      HIS  35  11.435  -2.015  -4.995
  237    HD2  HIS  35           2HD      HIS  35  10.276  -1.253  -1.069
  238    HE1  HIS  35           1HE      HIS  35  13.312  -0.670  -3.930
  239    H    GLU  36           H        GLU  36   7.310  -3.863  -5.641
  240    HA   GLU  36           HA       GLU  36   4.558  -3.603  -4.490
  241    HB2  GLU  36           1HB      GLU  36   5.665  -5.307  -6.765
  242    HB3  GLU  36           2HB      GLU  36   4.012  -5.404  -6.143
  243    HG2  GLU  36           1HG      GLU  36   3.633  -3.047  -6.797
  244    HG3  GLU  36           2HG      GLU  36   5.280  -2.970  -7.444
  245    H    GLY  37           H        GLY  37   3.838  -5.394  -3.192
  246    HA2  GLY  37           1HA      GLY  37   4.178  -7.423  -2.027
  247    HA3  GLY  37           2HA      GLY  37   5.882  -7.448  -2.536
  248    H    GLU  38           H        GLU  38   5.454  -7.917   0.059
  249    HA   GLU  38           HA       GLU  38   5.486  -5.426   1.610
  250    HB2  GLU  38           1HB      GLU  38   6.220  -7.328   3.397
  251    HB3  GLU  38           2HB      GLU  38   4.549  -6.932   3.001
  252    HG2  GLU  38           1HG      GLU  38   4.407  -8.814   1.458
  253    HG3  GLU  38           2HG      GLU  38   6.106  -9.206   1.747
  254    H    CYS  39           H        CYS  39   7.283  -4.893   3.058
  255    HA   CYS  39           HA       CYS  39   9.948  -5.847   2.140
  256    HB2  CYS  39           1HB      CYS  39  10.719  -3.516   1.951
  257    HB3  CYS  39           2HB      CYS  39   9.409  -3.845   0.807
  258    H    LEU  40           H        LEU  40  11.669  -4.869   3.590
  259    HA   LEU  40           HA       LEU  40  10.794  -4.190   6.328
  260    HB2  LEU  40           1HB      LEU  40  12.698  -6.458   5.588
  261    HB3  LEU  40           2HB      LEU  40  12.536  -5.785   7.202
  262    HG   LEU  40           HG       LEU  40  10.325  -7.254   5.724
  263   HD11  LEU  40          1HD1      LEU  40  12.213  -8.188   7.920
  264   HD12  LEU  40          2HD1      LEU  40  12.239  -8.713   6.221
  265   HD13  LEU  40          3HD1      LEU  40  10.850  -9.114   7.250
  266   HD21  LEU  40          3HD2      LEU  40  10.585  -6.323   8.615
  267   HD22  LEU  40          1HD2      LEU  40   9.286  -7.365   7.984
  268   HD23  LEU  40          2HD2      LEU  40   9.449  -5.700   7.397
  Start of MODEL    4
    1    H1   GLU   1           1H       GLU   1  -6.411   5.603 -10.150
    2    H2   GLU   1           2H       GLU   1  -6.882   6.488  -8.837
    3    H3   GLU   1           3H       GLU   1  -7.632   5.061  -9.175
    4    HA   GLU   1           HA       GLU   1  -7.727   7.506 -10.828
    5    HB2  GLU   1           1HB      GLU   1  -9.101   4.813 -11.177
    6    HB3  GLU   1           2HB      GLU   1  -9.455   6.264 -12.128
    7    HG2  GLU   1           1HG      GLU   1  -7.099   6.278 -12.938
    8    HG3  GLU   1           2HG      GLU   1  -6.828   4.746 -12.090
    9    H    ALA   2           H        ALA   2 -10.783   6.643 -10.951
   10    HA   ALA   2           HA       ALA   2 -11.619   8.266  -8.729
   11    HB1  ALA   2           3HB      ALA   2 -13.023   7.952 -10.751
   12    HB2  ALA   2           1HB      ALA   2 -13.186   6.217 -10.382
   13    HB3  ALA   2           2HB      ALA   2 -13.894   7.431  -9.292
   14    H    ALA   3           H        ALA   3 -11.248   4.774  -9.279
   15    HA   ALA   3           HA       ALA   3 -11.919   4.169  -6.473
   16    HB1  ALA   3           3HB      ALA   3 -10.860   2.393  -8.733
   17    HB2  ALA   3           1HB      ALA   3 -11.401   1.832  -7.133
   18    HB3  ALA   3           2HB      ALA   3 -12.571   2.557  -8.260
   19    H    VAL   4           H        VAL   4 -10.396   4.201  -4.916
   20    HA   VAL   4           HA       VAL   4  -7.526   4.092  -5.733
   21    HB   VAL   4           HB       VAL   4  -6.996   5.641  -3.859
   22   HG11  VAL   4          1HG1      VAL   4  -7.770   7.698  -4.911
   23   HG12  VAL   4          2HG1      VAL   4  -7.338   6.514  -6.159
   24   HG13  VAL   4          3HG1      VAL   4  -9.050   6.821  -5.778
   25   HG21  VAL   4          3HG2      VAL   4 -10.026   6.001  -3.600
   26   HG22  VAL   4          1HG2      VAL   4  -8.971   5.194  -2.408
   27   HG23  VAL   4          2HG2      VAL   4  -8.780   6.921  -2.734
   28    H    CYS   5           H        CYS   5  -9.970   2.720  -3.720
   29    HA   CYS   5           HA       CYS   5  -7.851   1.567  -1.948
   30    HB2  CYS   5           1HB      CYS   5  -9.659   2.968  -0.921
   31    HB3  CYS   5           2HB      CYS   5 -10.855   1.849  -1.576
   32    H    THR   6           H        THR   6  -7.526  -0.643  -1.973
   33    HA   THR   6           HA       THR   6  -9.498  -2.372  -3.327
   34    HB   THR   6           HB       THR   6  -7.725  -4.087  -2.893
   35    HG1  THR   6           1HG      THR   6  -6.273  -3.616  -1.478
   36   HG21  THR   6          1HG2      THR   6  -6.614  -1.645  -4.300
   37   HG22  THR   6          2HG2      THR   6  -7.727  -2.824  -5.040
   38   HG23  THR   6          3HG2      THR   6  -6.098  -3.329  -4.536
   39    H    THR   7           H        THR   7 -10.492  -4.107  -2.015
   40    HA   THR   7           HA       THR   7  -9.956  -3.881   0.884
   41    HB   THR   7           HB       THR   7 -11.942  -5.402   1.161
   42    HG1  THR   7           1HG      THR   7 -13.160  -5.809  -0.686
   43   HG21  THR   7          1HG2      THR   7 -13.653  -3.744   0.653
   44   HG22  THR   7          2HG2      THR   7 -12.569  -2.908  -0.482
   45   HG23  THR   7          3HG2      THR   7 -12.211  -2.905   1.263
   46    H    GLU   8           H        GLU   8  -8.923  -5.130  -1.652
   47    HA   GLU   8           HA       GLU   8  -8.397  -7.904  -0.993
   48    HB2  GLU   8           1HB      GLU   8  -8.501  -6.540  -3.312
   49    HB3  GLU   8           2HB      GLU   8  -6.759  -6.559  -3.078
   50    HG2  GLU   8           1HG      GLU   8  -8.599  -8.985  -3.126
   51    HG3  GLU   8           2HG      GLU   8  -7.568  -8.449  -4.462
   52    H    TRP   9           H        TRP   9  -6.752  -8.728   0.052
   53    HA   TRP   9           HA       TRP   9  -4.722  -7.181   1.420
   54    HB2  TRP   9           1HB      TRP   9  -5.179  -9.382   2.267
   55    HB3  TRP   9           2HB      TRP   9  -5.008 -10.111   0.666
   56    HD1  TRP   9           HD       TRP   9  -2.641 -11.060   0.058
   57    HE1  TRP   9           1HE      TRP   9  -0.344 -11.128   1.099
   58    HE3  TRP   9           3HE      TRP   9  -3.482  -7.688   3.815
   59    HZ2  TRP   9           2HZ      TRP   9   1.024  -9.823   3.216
   60    HZ3  TRP   9           3HZ      TRP   9  -1.569  -7.107   5.317
   61    HH2  TRP   9           HH       TRP   9   0.662  -8.169   5.016
   62    H    ASP  10           H        ASP  10  -3.422  -5.934   0.255
   63    HA   ASP  10           HA       ASP  10  -2.055  -7.098  -2.114
   64    HB2  ASP  10           1HB      ASP  10  -4.062  -5.748  -2.809
   65    HB3  ASP  10           2HB      ASP  10  -3.318  -4.344  -2.051
   66    HA   PRO  11           HA       PRO  11   0.547  -4.925   0.985
   67    HB2  PRO  11           1HB      PRO  11   2.719  -6.628   0.873
   68    HB3  PRO  11           2HB      PRO  11   1.324  -6.848   1.978
   69    HG2  PRO  11           1HG      PRO  11   1.809  -8.139  -0.698
   70    HG3  PRO  11           2HG      PRO  11   1.338  -8.880   0.839
   71    HD2  PRO  11           1HD      PRO  11  -0.477  -8.301  -1.055
   72    HD3  PRO  11           2HD      PRO  11  -0.846  -8.003   0.684
   73    H    VAL  12           H        VAL  12   1.823  -3.332   0.501
   74    HA   VAL  12           HA       VAL  12   3.569  -3.451  -1.899
   75    HB   VAL  12           HB       VAL  12   2.764  -1.124  -2.527
   76   HG11  VAL  12          1HG1      VAL  12   2.040  -3.134  -3.802
   77   HG12  VAL  12          2HG1      VAL  12   0.630  -3.296  -2.739
   78   HG13  VAL  12          3HG1      VAL  12   0.795  -1.873  -3.786
   79   HG21  VAL  12          3HG2      VAL  12   0.380  -1.812  -0.748
   80   HG22  VAL  12          1HG2      VAL  12   1.632  -0.606  -0.362
   81   HG23  VAL  12          2HG2      VAL  12   0.574  -0.368  -1.765
   82    H    CYS  13           H        CYS  13   5.109  -1.616  -1.814
   83    HA   CYS  13           HA       CYS  13   5.599  -0.791   1.028
   84    HB2  CYS  13           1HB      CYS  13   7.064  -2.626   0.219
   85    HB3  CYS  13           2HB      CYS  13   7.573  -1.594  -1.117
   86    H    GLY  14           H        GLY  14   5.649   1.336   1.291
   87    HA2  GLY  14           1HA      GLY  14   5.484   3.055  -1.068
   88    HA3  GLY  14           2HA      GLY  14   5.399   3.557   0.626
   89    H    LYS  15           H        LYS  15   6.783   5.036  -1.269
   90    HA   LYS  15           HA       LYS  15   9.579   4.452  -1.390
   91    HB2  LYS  15           1HB      LYS  15   8.117   7.117  -1.502
   92    HB3  LYS  15           2HB      LYS  15   9.827   6.874  -1.901
   93    HG2  LYS  15           1HG      LYS  15   9.106   5.194  -3.605
   94    HG3  LYS  15           2HG      LYS  15   7.445   5.663  -3.323
   95    HD2  LYS  15           1HD      LYS  15   8.000   7.976  -3.997
   96    HD3  LYS  15           2HD      LYS  15   9.669   7.457  -4.327
   97    HE2  LYS  15           1HE      LYS  15   7.173   6.308  -5.655
   98    HE3  LYS  15           2HE      LYS  15   8.242   7.519  -6.386
   99    HZ1  LYS  15           3HZ      LYS  15   9.998   5.927  -6.464
  100    HZ2  LYS  15           1HZ      LYS  15   8.666   5.162  -7.066
  101    HZ3  LYS  15           2HZ      LYS  15   9.193   4.832  -5.540
  102    H    ASP  16           H        ASP  16   7.704   5.561   1.275
  103    HA   ASP  16           HA       ASP  16   9.979   6.721   2.700
  104    HB2  ASP  16           1HB      ASP  16   7.191   5.920   3.619
  105    HB3  ASP  16           2HB      ASP  16   8.411   6.646   4.674
  106    H    GLY  17           H        GLY  17   9.503   3.614   1.738
  107    HA2  GLY  17           1HA      GLY  17  10.760   1.790   2.419
  108    HA3  GLY  17           2HA      GLY  17  11.299   2.692   3.839
  109    H    LYS  18           H        LYS  18   7.853   2.480   3.320
  110    HA   LYS  18           HA       LYS  18   7.762   0.514   5.573
  111    HB2  LYS  18           1HB      LYS  18   5.955   2.920   5.162
  112    HB3  LYS  18           2HB      LYS  18   5.854   1.760   6.492
  113    HG2  LYS  18           1HG      LYS  18   8.227   3.592   5.949
  114    HG3  LYS  18           2HG      LYS  18   6.960   3.918   7.130
  115    HD2  LYS  18           1HD      LYS  18   7.649   2.176   8.561
  116    HD3  LYS  18           2HD      LYS  18   8.551   1.337   7.294
  117    HE2  LYS  18           1HE      LYS  18   9.359   4.052   8.390
  118    HE3  LYS  18           2HE      LYS  18   9.985   2.504   8.995
  119    HZ1  LYS  18           3HZ      LYS  18  11.510   3.301   7.380
  120    HZ2  LYS  18           1HZ      LYS  18  10.334   3.612   6.264
  121    HZ3  LYS  18           2HZ      LYS  18  10.710   2.050   6.655
  122    H    THR  19           H        THR  19   6.332  -1.050   5.573
  123    HA   THR  19           HA       THR  19   5.023  -1.698   3.048
  124    HB   THR  19           HB       THR  19   5.006  -3.149   5.740
  125    HG1  THR  19           1HG      THR  19   6.846  -4.112   5.077
  126   HG21  THR  19          1HG2      THR  19   4.405  -4.060   2.899
  127   HG22  THR  19          2HG2      THR  19   3.281  -4.026   4.280
  128   HG23  THR  19          3HG2      THR  19   4.646  -5.157   4.282
  129    H    TYR  20           H        TYR  20   2.903  -1.554   2.586
  130    HA   TYR  20           HA       TYR  20   1.019  -0.941   4.839
  131    HB2  TYR  20           1HB      TYR  20   0.976  -0.075   1.934
  132    HB3  TYR  20           2HB      TYR  20  -0.406   0.079   3.030
  133    HD1  TYR  20           2HD      TYR  20   3.041   1.294   2.323
  134    HD2  TYR  20           1HD      TYR  20  -0.421   1.724   4.841
  135    HE1  TYR  20           2HE      TYR  20   3.972   3.409   3.256
  136    HE2  TYR  20           1HE      TYR  20   0.519   3.830   5.769
  137    HH   TYR  20           HH       TYR  20   3.640   5.163   4.716
  138    H    SER  21           H        SER  21  -0.743  -2.277   5.019
  139    HA   SER  21           HA       SER  21  -0.424  -4.921   4.060
  140    HB2  SER  21           1HB      SER  21  -2.922  -5.029   4.897
  141    HB3  SER  21           2HB      SER  21  -1.601  -4.735   6.053
  142    HG   SER  21           HG       SER  21  -3.243  -3.218   6.368
  143    H    ASN  22           H        ASN  22  -2.881  -2.476   3.113
  144    HA   ASN  22           HA       ASN  22  -3.206  -4.026   0.586
  145    HB2  ASN  22           1HB      ASN  22  -5.130  -1.973   1.672
  146    HB3  ASN  22           2HB      ASN  22  -5.326  -2.923   0.220
  147   HD21  ASN  22          2HD2      ASN  22  -7.391  -3.073   1.777
  148   HD22  ASN  22          1HD2      ASN  22  -7.437  -4.581   2.661
  149    H    LEU  23           H        LEU  23  -3.632  -2.627  -1.274
  150    HA   LEU  23           HA       LEU  23  -1.699  -0.483  -1.588
  151    HB2  LEU  23           1HB      LEU  23  -2.427  -1.914  -3.453
  152    HB3  LEU  23           2HB      LEU  23  -4.090  -1.375  -3.247
  153    HG   LEU  23           HG       LEU  23  -3.474   0.886  -3.972
  154   HD11  LEU  23          1HD1      LEU  23  -1.257   1.301  -5.007
  155   HD12  LEU  23          2HD1      LEU  23  -0.699  -0.281  -4.415
  156   HD13  LEU  23          3HD1      LEU  23  -1.137   1.006  -3.266
  157   HD21  LEU  23          3HD2      LEU  23  -3.075   0.325  -6.331
  158   HD22  LEU  23          1HD2      LEU  23  -4.239  -0.795  -5.596
  159   HD23  LEU  23          2HD2      LEU  23  -2.557  -1.311  -5.865
  160    H    CYS  24           H        CYS  24  -5.010  -0.825  -0.606
  161    HA   CYS  24           HA       CYS  24  -5.999   1.796  -0.892
  162    HB2  CYS  24           1HB      CYS  24  -7.260  -0.234  -0.106
  163    HB3  CYS  24           2HB      CYS  24  -6.408  -0.131   1.433
  164    H    TRP  25           H        TRP  25  -4.223   0.347   1.891
  165    HA   TRP  25           HA       TRP  25  -4.305   2.790   3.366
  166    HB2  TRP  25           1HB      TRP  25  -2.505   0.369   3.697
  167    HB3  TRP  25           2HB      TRP  25  -2.782   1.640   4.901
  168    HD1  TRP  25           HD       TRP  25  -4.019  -1.685   4.043
  169    HE1  TRP  25           1HE      TRP  25  -6.272  -2.234   5.079
  170    HE3  TRP  25           3HE      TRP  25  -5.286   3.055   5.468
  171    HZ2  TRP  25           2HZ      TRP  25  -8.386  -0.796   6.345
  172    HZ3  TRP  25           3HZ      TRP  25  -7.486   3.414   6.609
  173    HH2  TRP  25           HH       TRP  25  -9.016   1.491   7.036
  174    H    LEU  26           H        LEU  26  -2.053   1.522   0.990
  175    HA   LEU  26           HA       LEU  26   0.118   3.327   1.572
  176    HB2  LEU  26           1HB      LEU  26   0.296   1.298   0.194
  177    HB3  LEU  26           2HB      LEU  26  -0.790   1.965  -0.990
  178    HG   LEU  26           HG       LEU  26   1.644   1.814  -1.589
  179   HD11  LEU  26          1HD1      LEU  26   0.434   4.577  -1.857
  180   HD12  LEU  26          2HD1      LEU  26   0.003   3.173  -2.858
  181   HD13  LEU  26          3HD1      LEU  26   1.651   3.828  -2.900
  182   HD21  LEU  26          3HD2      LEU  26   2.598   2.629   0.471
  183   HD22  LEU  26          1HD2      LEU  26   1.863   4.227   0.199
  184   HD23  LEU  26          2HD2      LEU  26   3.105   3.619  -0.912
  185    H    ASN  27           H        ASN  27  -2.643   3.426  -0.714
  186    HA   ASN  27           HA       ASN  27  -2.003   6.021  -1.740
  187    HB2  ASN  27           1HB      ASN  27  -4.586   4.418  -1.688
  188    HB3  ASN  27           2HB      ASN  27  -4.423   5.976  -2.510
  189   HD21  ASN  27          2HD2      ASN  27  -5.035   3.376  -3.652
  190   HD22  ASN  27          1HD2      ASN  27  -3.763   3.063  -4.815
  191    H    GLU  28           H        GLU  28  -4.179   4.974   0.925
  192    HA   GLU  28           HA       GLU  28  -5.206   7.623   1.393
  193    HB2  GLU  28           1HB      GLU  28  -4.967   5.215   3.234
  194    HB3  GLU  28           2HB      GLU  28  -5.795   6.714   3.664
  195    HG2  GLU  28           1HG      GLU  28  -6.579   4.794   1.447
  196    HG3  GLU  28           2HG      GLU  28  -7.433   5.066   2.965
  197    H    ALA  29           H        ALA  29  -2.222   6.014   2.392
  198    HA   ALA  29           HA       ALA  29  -1.628   8.030   4.426
  199    HB1  ALA  29           3HB      ALA  29   0.584   6.882   4.492
  200    HB2  ALA  29           1HB      ALA  29  -0.786   5.769   4.706
  201    HB3  ALA  29           2HB      ALA  29   0.056   5.844   3.143
  202    H    GLY  30           H        GLY  30  -1.454   7.897   1.003
  203    HA2  GLY  30           1HA      GLY  30  -0.823   9.589  -0.426
  204    HA3  GLY  30           2HA      GLY  30  -0.307  10.544   0.967
  205    H    VAL  31           H        VAL  31   1.113   7.380   0.604
  206    HA   VAL  31           HA       VAL  31   3.693   8.692   0.003
  207    HB   VAL  31           HB       VAL  31   3.532   5.727   0.353
  208   HG11  VAL  31          1HG1      VAL  31   5.586   6.112   1.654
  209   HG12  VAL  31          2HG1      VAL  31   5.678   6.861   0.047
  210   HG13  VAL  31          3HG1      VAL  31   5.365   7.870   1.479
  211   HG21  VAL  31          3HG2      VAL  31   2.952   7.643   2.633
  212   HG22  VAL  31          1HG2      VAL  31   1.978   6.255   2.074
  213   HG23  VAL  31          2HG2      VAL  31   3.533   5.978   2.861
  214    H    GLY  32           H        GLY  32   4.841   8.195  -1.849
  215    HA2  GLY  32           1HA      GLY  32   3.344   7.130  -4.098
  216    HA3  GLY  32           2HA      GLY  32   5.084   7.532  -4.080
  217    H    LEU  33           H        LEU  33   3.665   5.068  -5.074
  218    HA   LEU  33           HA       LEU  33   4.456   2.940  -3.223
  219    HB2  LEU  33           1HB      LEU  33   2.554   2.749  -4.819
  220    HB3  LEU  33           2HB      LEU  33   3.673   2.887  -6.168
  221    HG   LEU  33           HG       LEU  33   4.199   0.677  -4.230
  222   HD11  LEU  33          1HD1      LEU  33   1.763   0.622  -4.376
  223   HD12  LEU  33          2HD1      LEU  33   2.463  -0.738  -5.276
  224   HD13  LEU  33          3HD1      LEU  33   1.843   0.679  -6.154
  225   HD21  LEU  33          3HD2      LEU  33   4.093   0.760  -7.282
  226   HD22  LEU  33          1HD2      LEU  33   4.718  -0.567  -6.278
  227   HD23  LEU  33          2HD2      LEU  33   5.560   0.990  -6.311
  228    H    ASP  34           H        ASP  34   6.368   1.748  -3.328
  229    HA   ASP  34           HA       ASP  34   8.300   2.597  -5.459
  230    HB2  ASP  34           1HB      ASP  34   8.775   3.055  -2.904
  231    HB3  ASP  34           2HB      ASP  34   9.228   1.353  -2.888
  232    H    HIS  35           H        HIS  35   7.595  -0.125  -3.209
  233    HA   HIS  35           HA       HIS  35   8.185  -1.958  -5.509
  234    HB2  HIS  35           1HB      HIS  35   8.241  -2.762  -2.592
  235    HB3  HIS  35           2HB      HIS  35   8.885  -3.639  -3.976
  236    HD1  HIS  35           1HD      HIS  35  10.568  -2.778  -1.377
  237    HD2  HIS  35           2HD      HIS  35  10.553  -0.783  -5.050
  238    HE1  HIS  35           1HE      HIS  35  12.693  -1.385  -1.463
  239    H    GLU  36           H        GLU  36   6.849  -3.852  -5.682
  240    HA   GLU  36           HA       GLU  36   4.198  -3.634  -4.302
  241    HB2  GLU  36           1HB      GLU  36   5.108  -5.262  -6.716
  242    HB3  GLU  36           2HB      GLU  36   3.545  -5.460  -5.908
  243    HG2  GLU  36           1HG      GLU  36   2.987  -3.102  -6.439
  244    HG3  GLU  36           2HG      GLU  36   4.530  -2.943  -7.297
  245    H    GLY  37           H        GLY  37   3.648  -5.497  -2.996
  246    HA2  GLY  37           1HA      GLY  37   4.195  -7.483  -1.846
  247    HA3  GLY  37           2HA      GLY  37   5.843  -7.435  -2.507
  248    H    GLU  38           H        GLU  38   5.576  -7.901   0.147
  249    HA   GLU  38           HA       GLU  38   5.527  -5.499   1.738
  250    HB2  GLU  38           1HB      GLU  38   6.616  -8.269   2.346
  251    HB3  GLU  38           2HB      GLU  38   6.349  -6.996   3.540
  252    HG2  GLU  38           1HG      GLU  38   3.924  -7.021   2.987
  253    HG3  GLU  38           2HG      GLU  38   4.212  -8.373   1.882
  254    H    CYS  39           H        CYS  39   7.235  -4.732   3.099
  255    HA   CYS  39           HA       CYS  39  10.034  -5.181   2.120
  256    HB2  CYS  39           1HB      CYS  39   8.639  -2.672   3.125
  257    HB3  CYS  39           2HB      CYS  39  10.372  -2.893   3.349
  258    H    LEU  40           H        LEU  40  11.536  -4.805   4.048
  259    HA   LEU  40           HA       LEU  40  10.306  -5.269   6.696
  260    HB2  LEU  40           1HB      LEU  40  10.940  -7.525   5.782
  261    HB3  LEU  40           2HB      LEU  40  12.563  -6.914   5.468
  262    HG   LEU  40           HG       LEU  40  12.936  -6.630   7.893
  263   HD11  LEU  40          1HD1      LEU  40  10.163  -7.864   8.137
  264   HD12  LEU  40          2HD1      LEU  40  10.676  -6.254   8.694
  265   HD13  LEU  40          3HD1      LEU  40  11.325  -7.705   9.477
  266   HD21  LEU  40          3HD2      LEU  40  13.572  -8.707   6.736
  267   HD22  LEU  40          1HD2      LEU  40  11.964  -9.395   7.071
  268   HD23  LEU  40          2HD2      LEU  40  13.079  -9.030   8.410
  Start of MODEL    5
    1    H1   GLU   1           1H       GLU   1 -11.108   3.810 -10.012
    2    H2   GLU   1           2H       GLU   1 -11.363   4.798  -8.720
    3    H3   GLU   1           3H       GLU   1 -10.223   5.197  -9.847
    4    HA   GLU   1           HA       GLU   1  -8.973   3.166  -9.265
    5    HB2  GLU   1           1HB      GLU   1  -8.265   4.060  -6.948
    6    HB3  GLU   1           2HB      GLU   1  -8.001   5.074  -8.356
    7    HG2  GLU   1           1HG      GLU   1 -10.525   5.505  -6.736
    8    HG3  GLU   1           2HG      GLU   1  -8.980   6.080  -6.101
    9    H    ALA   2           H        ALA   2 -10.394   1.339  -9.259
   10    HA   ALA   2           HA       ALA   2 -11.878  -0.209  -8.441
   11    HB1  ALA   2           3HB      ALA   2 -10.837   0.580  -5.657
   12    HB2  ALA   2           1HB      ALA   2 -11.683  -0.926  -6.098
   13    HB3  ALA   2           2HB      ALA   2 -10.052  -0.607  -6.722
   14    H    ALA   3           H        ALA   3 -13.148   0.423  -5.615
   15    HA   ALA   3           HA       ALA   3 -15.142   2.386  -6.528
   16    HB1  ALA   3           3HB      ALA   3 -15.934   2.177  -4.104
   17    HB2  ALA   3           1HB      ALA   3 -15.945   0.650  -5.011
   18    HB3  ALA   3           2HB      ALA   3 -14.644   0.974  -3.846
   19    H    VAL   4           H        VAL   4 -13.369   2.377  -3.460
   20    HA   VAL   4           HA       VAL   4 -11.692   4.608  -4.376
   21    HB   VAL   4           HB       VAL   4 -11.930   5.623  -1.966
   22   HG11  VAL   4          1HG1      VAL   4 -13.719   7.133  -2.703
   23   HG12  VAL   4          2HG1      VAL   4 -12.596   6.795  -4.036
   24   HG13  VAL   4          3HG1      VAL   4 -14.180   5.989  -3.986
   25   HG21  VAL   4          3HG2      VAL   4 -14.667   4.251  -2.202
   26   HG22  VAL   4          1HG2      VAL   4 -13.394   3.812  -1.034
   27   HG23  VAL   4          2HG2      VAL   4 -14.169   5.399  -0.945
   28    H    CYS   5           H        CYS   5 -12.389   2.183  -2.003
   29    HA   CYS   5           HA       CYS   5  -9.472   1.795  -1.564
   30    HB2  CYS   5           1HB      CYS   5 -11.009   2.456   0.411
   31    HB3  CYS   5           2HB      CYS   5 -11.649   0.813   0.293
   32    H    THR   6           H        THR   6  -8.631  -0.365  -1.840
   33    HA   THR   6           HA       THR   6 -10.584  -2.402  -2.802
   34    HB   THR   6           HB       THR   6  -8.385  -3.699  -3.090
   35    HG1  THR   6           1HG      THR   6  -6.525  -2.300  -3.221
   36   HG21  THR   6          1HG2      THR   6  -7.754  -2.602  -5.169
   37   HG22  THR   6          2HG2      THR   6  -8.587  -1.115  -4.660
   38   HG23  THR   6          3HG2      THR   6  -9.522  -2.593  -5.001
   39    H    THR   7           H        THR   7 -10.782  -4.367  -1.504
   40    HA   THR   7           HA       THR   7  -9.572  -4.166   1.181
   41    HB   THR   7           HB       THR   7 -11.248  -5.941   1.820
   42    HG1  THR   7           1HG      THR   7 -12.792  -6.466   0.291
   43   HG21  THR   7          1HG2      THR   7 -13.195  -4.486   1.826
   44   HG22  THR   7          2HG2      THR   7 -12.518  -3.494   0.515
   45   HG23  THR   7          3HG2      THR   7 -11.751  -3.495   2.123
   46    H    GLU   8           H        GLU   8  -8.725  -5.231  -1.509
   47    HA   GLU   8           HA       GLU   8  -8.137  -8.036  -1.039
   48    HB2  GLU   8           1HB      GLU   8  -8.451  -6.605  -3.259
   49    HB3  GLU   8           2HB      GLU   8  -6.696  -6.527  -3.179
   50    HG2  GLU   8           1HG      GLU   8  -8.407  -9.050  -3.219
   51    HG3  GLU   8           2HG      GLU   8  -7.490  -8.399  -4.589
   52    H    TRP   9           H        TRP   9  -6.391  -8.949  -0.185
   53    HA   TRP   9           HA       TRP   9  -4.322  -7.412   1.130
   54    HB2  TRP   9           1HB      TRP   9  -4.783  -9.638   1.954
   55    HB3  TRP   9           2HB      TRP   9  -4.544 -10.343   0.351
   56    HD1  TRP   9           HD       TRP   9  -2.160 -11.338  -0.108
   57    HE1  TRP   9           1HE      TRP   9   0.139 -11.265   1.022
   58    HE3  TRP   9           3HE      TRP   9  -3.149  -7.714   3.424
   59    HZ2  TRP   9           2HZ      TRP   9   1.418  -9.778   3.075
   60    HZ3  TRP   9           3HZ      TRP   9  -1.287  -7.037   4.957
   61    HH2  TRP   9           HH       TRP   9   0.957  -8.059   4.776
   62    H    ASP  10           H        ASP  10  -3.045  -6.142  -0.026
   63    HA   ASP  10           HA       ASP  10  -1.669  -7.268  -2.419
   64    HB2  ASP  10           1HB      ASP  10  -3.679  -5.879  -3.096
   65    HB3  ASP  10           2HB      ASP  10  -2.938  -4.506  -2.294
   66    HA   PRO  11           HA       PRO  11   0.782  -5.147   0.867
   67    HB2  PRO  11           1HB      PRO  11   2.984  -6.818   0.769
   68    HB3  PRO  11           2HB      PRO  11   1.544  -7.094   1.791
   69    HG2  PRO  11           1HG      PRO  11   2.182  -8.271  -0.914
   70    HG3  PRO  11           2HG      PRO  11   1.597  -9.070   0.600
   71    HD2  PRO  11           1HD      PRO  11  -0.113  -8.459  -1.342
   72    HD3  PRO  11           2HD      PRO  11  -0.533  -8.195   0.386
   73    H    VAL  12           H        VAL  12   1.998  -3.486   0.489
   74    HA   VAL  12           HA       VAL  12   3.822  -3.465  -1.864
   75    HB   VAL  12           HB       VAL  12   3.031  -1.118  -2.342
   76   HG11  VAL  12          1HG1      VAL  12   1.129  -1.761  -3.694
   77   HG12  VAL  12          2HG1      VAL  12   2.317  -3.069  -3.712
   78   HG13  VAL  12          3HG1      VAL  12   0.864  -3.212  -2.709
   79   HG21  VAL  12          3HG2      VAL  12   0.644  -1.883  -0.611
   80   HG22  VAL  12          1HG2      VAL  12   1.893  -0.686  -0.188
   81   HG23  VAL  12          2HG2      VAL  12   0.826  -0.401  -1.573
   82    H    CYS  13           H        CYS  13   5.370  -1.689  -1.690
   83    HA   CYS  13           HA       CYS  13   5.742  -0.775   1.135
   84    HB2  CYS  13           1HB      CYS  13   7.124  -2.777   0.603
   85    HB3  CYS  13           2HB      CYS  13   7.851  -1.887  -0.734
   86    H    GLY  14           H        GLY  14   5.877   1.353   1.209
   87    HA2  GLY  14           1HA      GLY  14   5.969   2.834  -1.309
   88    HA3  GLY  14           2HA      GLY  14   5.737   3.502   0.311
   89    H    LYS  15           H        LYS  15   7.244   4.947  -1.322
   90    HA   LYS  15           HA       LYS  15  10.033   4.315  -1.392
   91    HB2  LYS  15           1HB      LYS  15   8.614   7.004  -1.438
   92    HB3  LYS  15           2HB      LYS  15  10.322   6.755  -1.791
   93    HG2  LYS  15           1HG      LYS  15   9.418   5.024  -3.566
   94    HG3  LYS  15           2HG      LYS  15   7.915   5.920  -3.394
   95    HD2  LYS  15           1HD      LYS  15   9.001   6.925  -5.221
   96    HD3  LYS  15           2HD      LYS  15   9.291   8.033  -3.870
   97    HE2  LYS  15           1HE      LYS  15  11.357   7.762  -5.133
   98    HE3  LYS  15           2HE      LYS  15  11.558   6.989  -3.553
   99    HZ1  LYS  15           3HZ      LYS  15  11.265   4.852  -4.554
  100    HZ2  LYS  15           1HZ      LYS  15  12.395   5.654  -5.445
  101    HZ3  LYS  15           2HZ      LYS  15  10.856   5.499  -6.019
  102    H    ASP  16           H        ASP  16   8.112   5.299   1.273
  103    HA   ASP  16           HA       ASP  16  10.452   6.338   2.765
  104    HB2  ASP  16           1HB      ASP  16   7.529   6.003   3.560
  105    HB3  ASP  16           2HB      ASP  16   8.790   6.646   4.619
  106    H    GLY  17           H        GLY  17   9.701   3.369   1.823
  107    HA2  GLY  17           1HA      GLY  17  10.448   1.344   2.632
  108    HA3  GLY  17           2HA      GLY  17  10.970   2.138   4.122
  109    H    LYS  18           H        LYS  18   7.810   3.025   3.781
  110    HA   LYS  18           HA       LYS  18   7.084   1.138   5.881
  111    HB2  LYS  18           1HB      LYS  18   5.437   3.336   4.587
  112    HB3  LYS  18           2HB      LYS  18   5.008   2.448   6.046
  113    HG2  LYS  18           1HG      LYS  18   7.331   4.389   5.684
  114    HG3  LYS  18           2HG      LYS  18   5.871   4.652   6.639
  115    HD2  LYS  18           1HD      LYS  18   8.041   2.581   7.239
  116    HD3  LYS  18           2HD      LYS  18   7.853   4.139   8.048
  117    HE2  LYS  18           1HE      LYS  18   5.648   3.448   8.924
  118    HE3  LYS  18           2HE      LYS  18   5.795   1.887   8.087
  119    HZ1  LYS  18           3HZ      LYS  18   6.468   1.706  10.401
  120    HZ2  LYS  18           1HZ      LYS  18   7.628   2.863  10.206
  121    HZ3  LYS  18           2HZ      LYS  18   7.765   1.420   9.421
  122    H    THR  19           H        THR  19   5.921  -0.597   5.778
  123    HA   THR  19           HA       THR  19   4.920  -1.574   3.215
  124    HB   THR  19           HB       THR  19   4.770  -2.748   6.032
  125    HG1  THR  19           1HG      THR  19   6.626  -3.866   5.403
  126   HG21  THR  19          1HG2      THR  19   4.585  -4.905   4.770
  127   HG22  THR  19          2HG2      THR  19   4.358  -3.959   3.277
  128   HG23  THR  19          3HG2      THR  19   3.172  -3.848   4.599
  129    H    TYR  20           H        TYR  20   2.874  -1.444   2.529
  130    HA   TYR  20           HA       TYR  20   0.759  -0.889   4.573
  131    HB2  TYR  20           1HB      TYR  20   0.949   0.009   1.695
  132    HB3  TYR  20           2HB      TYR  20  -0.501   0.161   2.693
  133    HD1  TYR  20           1HD      TYR  20  -0.489   1.613   4.730
  134    HD2  TYR  20           2HD      TYR  20   2.872   1.466   2.063
  135    HE1  TYR  20           1HE      TYR  20   0.433   3.679   5.775
  136    HE2  TYR  20           2HE      TYR  20   3.779   3.539   3.092
  137    HH   TYR  20           HH       TYR  20   3.435   5.211   4.645
  138    H    SER  21           H        SER  21  -0.948  -2.251   4.642
  139    HA   SER  21           HA       SER  21  -0.551  -4.869   3.712
  140    HB2  SER  21           1HB      SER  21  -3.236  -3.654   4.447
  141    HB3  SER  21           2HB      SER  21  -2.707  -5.339   4.649
  142    HG   SER  21           HG       SER  21  -2.430  -4.394   6.615
  143    H    ASN  22           H        ASN  22  -2.958  -2.479   2.527
  144    HA   ASN  22           HA       ASN  22  -2.849  -3.897  -0.081
  145    HB2  ASN  22           1HB      ASN  22  -5.073  -2.849  -0.593
  146    HB3  ASN  22           2HB      ASN  22  -5.074  -4.127   0.617
  147   HD21  ASN  22          2HD2      ASN  22  -6.909  -3.508   1.670
  148   HD22  ASN  22          1HD2      ASN  22  -7.009  -2.022   2.582
  149    H    LEU  23           H        LEU  23  -3.165  -2.410  -1.958
  150    HA   LEU  23           HA       LEU  23  -1.373  -0.175  -1.883
  151    HB2  LEU  23           1HB      LEU  23  -1.962  -1.548  -3.885
  152    HB3  LEU  23           2HB      LEU  23  -3.573  -0.841  -3.864
  153    HG   LEU  23           HG       LEU  23  -2.555   1.400  -4.307
  154   HD11  LEU  23          1HD1      LEU  23  -0.267   0.965  -3.437
  155   HD12  LEU  23          2HD1      LEU  23  -0.244   1.539  -5.113
  156   HD13  LEU  23          3HD1      LEU  23   0.007  -0.186  -4.766
  157   HD21  LEU  23          3HD2      LEU  23  -1.885  -0.793  -6.307
  158   HD22  LEU  23          1HD2      LEU  23  -2.081   0.937  -6.672
  159   HD23  LEU  23          2HD2      LEU  23  -3.471  -0.008  -6.104
  160    H    CYS  24           H        CYS  24  -4.772  -0.508  -1.105
  161    HA   CYS  24           HA       CYS  24  -5.612   2.185  -1.524
  162    HB2  CYS  24           1HB      CYS  24  -7.217   0.437  -1.097
  163    HB3  CYS  24           2HB      CYS  24  -6.491   0.066   0.454
  164    H    TRP  25           H        TRP  25  -4.315   0.591   1.462
  165    HA   TRP  25           HA       TRP  25  -4.297   3.023   2.973
  166    HB2  TRP  25           1HB      TRP  25  -2.705   0.457   3.261
  167    HB3  TRP  25           2HB      TRP  25  -2.582   1.815   4.386
  168    HD1  TRP  25           HD       TRP  25  -4.464  -1.287   3.986
  169    HE1  TRP  25           1HE      TRP  25  -6.513  -1.406   5.489
  170    HE3  TRP  25           3HE      TRP  25  -4.621   3.640   5.321
  171    HZ2  TRP  25           2HZ      TRP  25  -8.066   0.416   7.038
  172    HZ3  TRP  25           3HZ      TRP  25  -6.458   4.414   6.836
  173    HH2  TRP  25           HH       TRP  25  -8.169   2.802   7.672
  174    H    LEU  26           H        LEU  26  -1.958   1.666   0.678
  175    HA   LEU  26           HA       LEU  26   0.215   3.429   1.351
  176    HB2  LEU  26           1HB      LEU  26   0.429   1.415  -0.032
  177    HB3  LEU  26           2HB      LEU  26  -0.581   2.108  -1.263
  178    HG   LEU  26           HG       LEU  26   1.857   1.915  -1.759
  179   HD11  LEU  26          1HD1      LEU  26   1.966   3.919  -3.060
  180   HD12  LEU  26          2HD1      LEU  26   0.777   4.730  -2.030
  181   HD13  LEU  26          3HD1      LEU  26   0.283   3.358  -3.048
  182   HD21  LEU  26          3HD2      LEU  26   3.343   3.682  -1.000
  183   HD22  LEU  26          1HD2      LEU  26   2.773   2.664   0.336
  184   HD23  LEU  26          2HD2      LEU  26   2.077   4.281   0.092
  185    H    ASN  27           H        ASN  27  -2.489   3.656  -0.984
  186    HA   ASN  27           HA       ASN  27  -1.778   6.229  -2.010
  187    HB2  ASN  27           1HB      ASN  27  -3.475   4.412  -2.854
  188    HB3  ASN  27           2HB      ASN  27  -4.633   5.230  -1.798
  189   HD21  ASN  27          2HD2      ASN  27  -3.856   7.917  -2.163
  190   HD22  ASN  27          1HD2      ASN  27  -4.179   8.341  -3.829
  191    H    GLU  28           H        GLU  28  -3.924   5.210   0.682
  192    HA   GLU  28           HA       GLU  28  -4.919   7.834   1.267
  193    HB2  GLU  28           1HB      GLU  28  -4.628   5.317   2.929
  194    HB3  GLU  28           2HB      GLU  28  -5.382   6.789   3.550
  195    HG2  GLU  28           1HG      GLU  28  -7.099   6.702   1.823
  196    HG3  GLU  28           2HG      GLU  28  -6.336   5.287   1.091
  197    H    ALA  29           H        ALA  29  -1.984   6.112   2.291
  198    HA   ALA  29           HA       ALA  29  -1.316   8.116   4.299
  199    HB1  ALA  29           3HB      ALA  29   0.830   6.869   4.398
  200    HB2  ALA  29           1HB      ALA  29  -0.593   5.815   4.565
  201    HB3  ALA  29           2HB      ALA  29   0.287   5.874   3.024
  202    H    GLY  30           H        GLY  30  -1.103   8.021   0.882
  203    HA2  GLY  30           1HA      GLY  30  -0.328   9.654  -0.537
  204    HA3  GLY  30           2HA      GLY  30   0.160  10.600   0.872
  205    H    VAL  31           H        VAL  31   1.502   7.389   0.570
  206    HA   VAL  31           HA       VAL  31   4.141   8.635   0.103
  207    HB   VAL  31           HB       VAL  31   3.873   5.665   0.380
  208   HG11  VAL  31          1HG1      VAL  31   6.070   6.733   0.166
  209   HG12  VAL  31          2HG1      VAL  31   5.745   7.719   1.613
  210   HG13  VAL  31          3HG1      VAL  31   5.900   5.951   1.750
  211   HG21  VAL  31          3HG2      VAL  31   3.260   7.570   2.657
  212   HG22  VAL  31          1HG2      VAL  31   2.290   6.196   2.057
  213   HG23  VAL  31          2HG2      VAL  31   3.815   5.898   2.900
  214    H    GLY  32           H        GLY  32   5.336   8.207  -1.715
  215    HA2  GLY  32           1HA      GLY  32   3.950   7.243  -4.064
  216    HA3  GLY  32           2HA      GLY  32   5.696   7.583  -3.938
  217    H    LEU  33           H        LEU  33   4.211   5.233  -5.099
  218    HA   LEU  33           HA       LEU  33   4.775   2.950  -3.374
  219    HB2  LEU  33           1HB      LEU  33   3.038   2.936  -5.144
  220    HB3  LEU  33           2HB      LEU  33   4.270   3.252  -6.357
  221    HG   LEU  33           HG       LEU  33   5.268   1.018  -5.897
  222   HD11  LEU  33          1HD1      LEU  33   2.802   0.700  -4.151
  223   HD12  LEU  33          2HD1      LEU  33   4.502   0.623  -3.627
  224   HD13  LEU  33          3HD1      LEU  33   3.845  -0.633  -4.692
  225   HD21  LEU  33          3HD2      LEU  33   3.519  -0.217  -7.080
  226   HD22  LEU  33          1HD2      LEU  33   3.675   1.423  -7.737
  227   HD23  LEU  33          2HD2      LEU  33   2.321   1.022  -6.649
  228    H    ASP  34           H        ASP  34   6.640   1.602  -3.477
  229    HA   ASP  34           HA       ASP  34   8.732   2.495  -5.442
  230    HB2  ASP  34           1HB      ASP  34   9.077   2.929  -2.893
  231    HB3  ASP  34           2HB      ASP  34   9.376   1.199  -2.780
  232    H    HIS  35           H        HIS  35   7.887  -0.257  -3.266
  233    HA   HIS  35           HA       HIS  35   8.353  -2.068  -5.605
  234    HB2  HIS  35           1HB      HIS  35   8.298  -3.307  -2.923
  235    HB3  HIS  35           2HB      HIS  35   9.329  -3.654  -4.314
  236    HD1  HIS  35           1HD      HIS  35   9.815  -2.805  -1.008
  237    HD2  HIS  35           2HD      HIS  35  11.099  -0.950  -4.528
  238    HE1  HIS  35           1HE      HIS  35  11.781  -1.330  -0.377
  239    H    GLU  36           H        GLU  36   6.908  -3.790  -5.973
  240    HA   GLU  36           HA       GLU  36   4.346  -3.734  -4.442
  241    HB2  GLU  36           1HB      GLU  36   5.409  -5.455  -6.727
  242    HB3  GLU  36           2HB      GLU  36   3.913  -5.819  -5.863
  243    HG2  GLU  36           1HG      GLU  36   4.447  -3.260  -7.405
  244    HG3  GLU  36           2HG      GLU  36   3.550  -4.650  -8.019
  245    H    GLY  37           H        GLY  37   4.000  -5.545  -2.949
  246    HA2  GLY  37           1HA      GLY  37   4.793  -7.518  -1.841
  247    HA3  GLY  37           2HA      GLY  37   6.441  -7.176  -2.396
  248    H    GLU  38           H        GLU  38   5.585  -7.702   0.311
  249    HA   GLU  38           HA       GLU  38   5.462  -5.121   1.683
  250    HB2  GLU  38           1HB      GLU  38   5.746  -6.816   3.710
  251    HB3  GLU  38           2HB      GLU  38   4.208  -6.580   2.884
  252    HG2  GLU  38           1HG      GLU  38   4.460  -8.612   1.608
  253    HG3  GLU  38           2HG      GLU  38   6.100  -8.854   2.231
  254    H    CYS  39           H        CYS  39   6.920  -4.329   3.196
  255    HA   CYS  39           HA       CYS  39   9.725  -5.380   3.059
  256    HB2  CYS  39           1HB      CYS  39   8.603  -2.627   3.756
  257    HB3  CYS  39           2HB      CYS  39  10.277  -3.102   4.035
  258    H    LEU  40           H        LEU  40  10.739  -4.608   5.380
  259    HA   LEU  40           HA       LEU  40   8.817  -5.151   7.577
  260    HB2  LEU  40           1HB      LEU  40   9.990  -7.293   7.064
  261    HB3  LEU  40           2HB      LEU  40  11.539  -6.459   7.171
  262    HG   LEU  40           HG       LEU  40  11.167  -6.041   9.573
  263   HD11  LEU  40          1HD1      LEU  40   9.330  -7.279  10.732
  264   HD12  LEU  40          2HD1      LEU  40   8.625  -7.664   9.143
  265   HD13  LEU  40          3HD1      LEU  40   8.742  -5.973   9.690
  266   HD21  LEU  40          3HD2      LEU  40  10.839  -8.947   8.729
  267   HD22  LEU  40          1HD2      LEU  40  11.471  -8.372  10.289
  268   HD23  LEU  40          2HD2      LEU  40  12.369  -8.042   8.795
  Start of MODEL    6
    1    H1   GLU   1           1H       GLU   1  -7.391   8.054  -3.420
    2    H2   GLU   1           2H       GLU   1  -7.944   7.111  -2.189
    3    H3   GLU   1           3H       GLU   1  -8.777   7.174  -3.613
    4    HA   GLU   1           HA       GLU   1  -8.412   9.399  -1.706
    5    HB2  GLU   1           1HB      GLU   1  -9.833   9.223  -4.378
    6    HB3  GLU   1           2HB      GLU   1 -10.216  10.466  -3.179
    7    HG2  GLU   1           1HG      GLU   1  -7.871  11.256  -3.252
    8    HG3  GLU   1           2HG      GLU   1  -7.516  10.052  -4.503
    9    H    ALA   2           H        ALA   2 -11.326   8.157  -3.425
   10    HA   ALA   2           HA       ALA   2 -12.859   8.308  -1.016
   11    HB1  ALA   2           3HB      ALA   2 -14.628   7.222  -2.360
   12    HB2  ALA   2           1HB      ALA   2 -13.844   8.519  -3.287
   13    HB3  ALA   2           2HB      ALA   2 -13.440   6.815  -3.620
   14    H    ALA   3           H        ALA   3 -13.615   6.721   0.356
   15    HA   ALA   3           HA       ALA   3 -11.893   4.405   0.711
   16    HB1  ALA   3           3HB      ALA   3 -13.211   4.064   2.763
   17    HB2  ALA   3           1HB      ALA   3 -12.709   5.763   2.620
   18    HB3  ALA   3           2HB      ALA   3 -14.385   5.294   2.238
   19    H    VAL   4           H        VAL   4 -12.945   3.941  -1.691
   20    HA   VAL   4           HA       VAL   4 -15.243   2.057  -1.309
   21    HB   VAL   4           HB       VAL   4 -15.512   2.208  -3.784
   22   HG11  VAL   4          1HG1      VAL   4 -16.416   4.493  -3.860
   23   HG12  VAL   4          2HG1      VAL   4 -16.770   3.742  -2.289
   24   HG13  VAL   4          3HG1      VAL   4 -15.466   4.943  -2.425
   25   HG21  VAL   4          3HG2      VAL   4 -14.284   3.905  -5.085
   26   HG22  VAL   4          1HG2      VAL   4 -13.316   4.335  -3.660
   27   HG23  VAL   4          2HG2      VAL   4 -13.158   2.722  -4.398
   28    H    CYS   5           H        CYS   5 -11.981   2.046  -1.266
   29    HA   CYS   5           HA       CYS   5 -11.483  -0.206  -3.067
   30    HB2  CYS   5           1HB      CYS   5  -9.818   1.592  -2.593
   31    HB3  CYS   5           2HB      CYS   5  -9.755   1.060  -0.907
   32    H    THR   6           H        THR   6 -11.249  -2.339  -2.484
   33    HA   THR   6           HA       THR   6 -12.504  -3.156   0.003
   34    HB   THR   6           HB       THR   6 -12.043  -5.449  -0.938
   35    HG1  THR   6           1HG      THR   6 -11.247  -5.390  -3.160
   36   HG21  THR   6          1HG2      THR   6 -13.568  -5.280  -2.825
   37   HG22  THR   6          2HG2      THR   6 -13.256  -3.536  -2.972
   38   HG23  THR   6          3HG2      THR   6 -14.114  -4.171  -1.548
   39    H    THR   7           H        THR   7 -11.500  -4.918   1.328
   40    HA   THR   7           HA       THR   7  -8.826  -4.102   2.179
   41    HB   THR   7           HB       THR   7  -9.274  -5.876   3.966
   42    HG1  THR   7           1HG      THR   7 -11.262  -6.851   3.935
   43   HG21  THR   7          1HG2      THR   7  -9.895  -3.472   4.286
   44   HG22  THR   7          2HG2      THR   7 -10.998  -4.589   5.117
   45   HG23  THR   7          3HG2      THR   7 -11.498  -3.821   3.595
   46    H    GLU   8           H        GLU   8  -9.181  -5.494  -0.445
   47    HA   GLU   8           HA       GLU   8  -8.241  -8.191  -0.247
   48    HB2  GLU   8           1HB      GLU   8  -8.152  -6.099  -2.431
   49    HB3  GLU   8           2HB      GLU   8  -7.402  -7.690  -2.639
   50    HG2  GLU   8           1HG      GLU   8  -9.519  -8.803  -2.289
   51    HG3  GLU   8           2HG      GLU   8 -10.306  -7.268  -1.914
   52    H    TRP   9           H        TRP   9  -6.335  -9.030   0.110
   53    HA   TRP   9           HA       TRP   9  -4.149  -7.438   1.054
   54    HB2  TRP   9           1HB      TRP   9  -4.611  -9.737   1.813
   55    HB3  TRP   9           2HB      TRP   9  -4.284 -10.353   0.191
   56    HD1  TRP   9           HD       TRP   9  -1.922 -11.348  -0.032
   57    HE1  TRP   9           1HE      TRP   9   0.344 -11.109   1.067
   58    HE3  TRP   9           3HE      TRP   9  -3.079  -7.480   3.111
   59    HZ2  TRP   9           2HZ      TRP   9   1.549  -9.421   3.011
   60    HZ3  TRP   9           3HZ      TRP   9  -1.262  -6.547   4.546
   61    HH2  TRP   9           HH       TRP   9   1.028  -7.524   4.507
   62    H    ASP  10           H        ASP  10  -3.149  -6.087  -0.294
   63    HA   ASP  10           HA       ASP  10  -1.845  -7.225  -2.705
   64    HB2  ASP  10           1HB      ASP  10  -3.865  -5.996  -3.468
   65    HB3  ASP  10           2HB      ASP  10  -3.347  -4.586  -2.547
   66    HA   PRO  11           HA       PRO  11   0.543  -4.841   0.411
   67    HB2  PRO  11           1HB      PRO  11   2.798  -6.421   0.587
   68    HB3  PRO  11           2HB      PRO  11   1.301  -6.699   1.528
   69    HG2  PRO  11           1HG      PRO  11   2.164  -8.003  -1.037
   70    HG3  PRO  11           2HG      PRO  11   1.557  -8.749   0.453
   71    HD2  PRO  11           1HD      PRO  11  -0.069  -8.316  -1.635
   72    HD3  PRO  11           2HD      PRO  11  -0.641  -8.042   0.055
   73    H    VAL  12           H        VAL  12   1.887  -3.254   0.102
   74    HA   VAL  12           HA       VAL  12   3.854  -3.340  -2.119
   75    HB   VAL  12           HB       VAL  12   3.187  -1.006  -2.761
   76   HG11  VAL  12          1HG1      VAL  12   1.317  -1.617  -4.196
   77   HG12  VAL  12          2HG1      VAL  12   2.445  -2.982  -4.097
   78   HG13  VAL  12          3HG1      VAL  12   0.932  -3.010  -3.166
   79   HG21  VAL  12          3HG2      VAL  12   1.946  -0.436  -0.680
   80   HG22  VAL  12          1HG2      VAL  12   1.012  -0.113  -2.147
   81   HG23  VAL  12          2HG2      VAL  12   0.650  -1.553  -1.169
   82    H    CYS  13           H        CYS  13   5.449  -1.546  -1.793
   83    HA   CYS  13           HA       CYS  13   5.537  -0.699   1.078
   84    HB2  CYS  13           1HB      CYS  13   7.033  -2.637   0.568
   85    HB3  CYS  13           2HB      CYS  13   7.839  -1.630  -0.634
   86    H    GLY  14           H        GLY  14   5.799   1.408   1.363
   87    HA2  GLY  14           1HA      GLY  14   6.108   3.107  -1.003
   88    HA3  GLY  14           2HA      GLY  14   5.848   3.639   0.663
   89    H    LYS  15           H        LYS  15   7.542   5.130  -0.711
   90    HA   LYS  15           HA       LYS  15  10.305   4.293  -0.627
   91    HB2  LYS  15           1HB      LYS  15   8.993   7.034  -0.644
   92    HB3  LYS  15           2HB      LYS  15  10.744   6.783  -0.722
   93    HG2  LYS  15           1HG      LYS  15  10.429   5.427  -2.779
   94    HG3  LYS  15           2HG      LYS  15   8.710   5.791  -2.743
   95    HD2  LYS  15           1HD      LYS  15   9.214   8.198  -2.934
   96    HD3  LYS  15           2HD      LYS  15  10.951   7.817  -2.976
   97    HE2  LYS  15           1HE      LYS  15  10.571   6.418  -5.006
   98    HE3  LYS  15           2HE      LYS  15   8.858   6.880  -4.987
   99    HZ1  LYS  15           3HZ      LYS  15  10.135   8.254  -6.511
  100    HZ2  LYS  15           1HZ      LYS  15  11.142   8.751  -5.303
  101    HZ3  LYS  15           2HZ      LYS  15   9.552   9.190  -5.284
  102    H    ASP  16           H        ASP  16   8.134   5.265   1.843
  103    HA   ASP  16           HA       ASP  16  10.167   6.113   3.756
  104    HB2  ASP  16           1HB      ASP  16   7.740   6.862   3.702
  105    HB3  ASP  16           2HB      ASP  16   7.293   5.232   4.230
  106    H    GLY  17           H        GLY  17   9.555   3.147   2.383
  107    HA2  GLY  17           1HA      GLY  17  10.356   1.073   2.993
  108    HA3  GLY  17           2HA      GLY  17  10.967   1.772   4.498
  109    H    LYS  18           H        LYS  18   7.609   2.301   3.861
  110    HA   LYS  18           HA       LYS  18   6.994   0.305   5.988
  111    HB2  LYS  18           1HB      LYS  18   5.289   2.648   5.090
  112    HB3  LYS  18           2HB      LYS  18   5.048   1.633   6.512
  113    HG2  LYS  18           1HG      LYS  18   7.310   3.612   6.051
  114    HG3  LYS  18           2HG      LYS  18   5.939   3.816   7.144
  115    HD2  LYS  18           1HD      LYS  18   6.764   1.792   8.424
  116    HD3  LYS  18           2HD      LYS  18   8.217   1.812   7.406
  117    HE2  LYS  18           1HE      LYS  18   7.272   4.050   9.248
  118    HE3  LYS  18           2HE      LYS  18   8.631   2.952   9.542
  119    HZ1  LYS  18           3HZ      LYS  18   9.567   4.918   8.714
  120    HZ2  LYS  18           1HZ      LYS  18   8.438   5.108   7.531
  121    HZ3  LYS  18           2HZ      LYS  18   9.574   3.922   7.395
  122    H    THR  19           H        THR  19   5.559  -1.278   5.692
  123    HA   THR  19           HA       THR  19   4.611  -1.833   2.975
  124    HB   THR  19           HB       THR  19   4.220  -3.330   5.621
  125    HG1  THR  19           1HG      THR  19   6.211  -3.896   5.140
  126   HG21  THR  19          1HG2      THR  19   3.562  -4.141   2.756
  127   HG22  THR  19          2HG2      THR  19   2.407  -3.926   4.096
  128   HG23  THR  19          3HG2      THR  19   3.586  -5.247   4.149
  129    H    TYR  20           H        TYR  20   2.601  -1.520   2.225
  130    HA   TYR  20           HA       TYR  20   0.478  -0.717   4.187
  131    HB2  TYR  20           1HB      TYR  20   0.941   0.118   1.309
  132    HB3  TYR  20           2HB      TYR  20  -0.575   0.401   2.179
  133    HD1  TYR  20           2HD      TYR  20   3.046   1.273   2.058
  134    HD2  TYR  20           1HD      TYR  20  -0.745   2.074   3.920
  135    HE1  TYR  20           2HE      TYR  20   4.004   3.306   3.138
  136    HE2  TYR  20           1HE      TYR  20   0.223   4.106   5.000
  137    HH   TYR  20           HH       TYR  20   2.104   5.383   5.317
  138    H    SER  21           H        SER  21  -1.399  -1.889   4.102
  139    HA   SER  21           HA       SER  21  -1.139  -4.563   3.261
  140    HB2  SER  21           1HB      SER  21  -3.680  -4.592   3.711
  141    HB3  SER  21           2HB      SER  21  -2.604  -4.128   5.046
  142    HG   SER  21           HG       SER  21  -4.270  -2.641   4.924
  143    H    ASN  22           H        ASN  22  -3.293  -2.042   1.856
  144    HA   ASN  22           HA       ASN  22  -2.979  -3.491  -0.719
  145    HB2  ASN  22           1HB      ASN  22  -5.074  -2.490  -1.525
  146    HB3  ASN  22           2HB      ASN  22  -5.306  -3.588  -0.168
  147   HD21  ASN  22          2HD2      ASN  22  -7.333  -2.613   0.248
  148   HD22  ASN  22          1HD2      ASN  22  -7.399  -1.063   1.052
  149    H    LEU  23           H        LEU  23  -2.966  -2.063  -2.654
  150    HA   LEU  23           HA       LEU  23  -1.072   0.064  -2.439
  151    HB2  LEU  23           1HB      LEU  23  -1.498  -1.266  -4.475
  152    HB3  LEU  23           2HB      LEU  23  -3.110  -0.575  -4.592
  153    HG   LEU  23           HG       LEU  23  -2.135   1.653  -5.035
  154   HD11  LEU  23          1HD1      LEU  23   0.540   0.198  -5.105
  155   HD12  LEU  23          2HD1      LEU  23   0.047   1.406  -3.897
  156   HD13  LEU  23          3HD1      LEU  23   0.250   1.882  -5.591
  157   HD21  LEU  23          3HD2      LEU  23  -2.764   0.147  -6.868
  158   HD22  LEU  23          1HD2      LEU  23  -1.140  -0.578  -6.849
  159   HD23  LEU  23          2HD2      LEU  23  -1.354   1.127  -7.312
  160    H    CYS  24           H        CYS  24  -4.565  -0.011  -2.077
  161    HA   CYS  24           HA       CYS  24  -5.068   2.739  -2.605
  162    HB2  CYS  24           1HB      CYS  24  -6.520   0.832  -0.749
  163    HB3  CYS  24           2HB      CYS  24  -7.148   2.371  -1.349
  164    H    TRP  25           H        TRP  25  -4.170   1.064   0.486
  165    HA   TRP  25           HA       TRP  25  -4.372   3.529   1.990
  166    HB2  TRP  25           1HB      TRP  25  -2.958   0.911   2.577
  167    HB3  TRP  25           2HB      TRP  25  -2.998   2.288   3.692
  168    HD1  TRP  25           HD       TRP  25  -4.818  -0.794   3.148
  169    HE1  TRP  25           1HE      TRP  25  -7.158  -0.793   4.141
  170    HE3  TRP  25           3HE      TRP  25  -5.234   4.239   3.950
  171    HZ2  TRP  25           2HZ      TRP  25  -9.009   1.144   5.121
  172    HZ3  TRP  25           3HZ      TRP  25  -7.361   5.124   4.935
  173    HH2  TRP  25           HH       TRP  25  -9.227   3.573   5.508
  174    H    LEU  26           H        LEU  26  -1.815   2.035   0.055
  175    HA   LEU  26           HA       LEU  26   0.302   3.770   0.955
  176    HB2  LEU  26           1HB      LEU  26   0.630   1.731  -0.391
  177    HB3  LEU  26           2HB      LEU  26  -0.184   2.463  -1.742
  178    HG   LEU  26           HG       LEU  26   2.320   2.212  -1.857
  179   HD11  LEU  26          1HD1      LEU  26   0.966   3.626  -3.403
  180   HD12  LEU  26          2HD1      LEU  26   2.627   4.205  -3.160
  181   HD13  LEU  26          3HD1      LEU  26   1.283   5.020  -2.343
  182   HD21  LEU  26          3HD2      LEU  26   2.290   4.658  -0.082
  183   HD22  LEU  26          1HD2      LEU  26   3.694   3.961  -0.910
  184   HD23  LEU  26          2HD2      LEU  26   2.877   3.041   0.366
  185    H    ASN  27           H        ASN  27  -2.215   4.036  -1.586
  186    HA   ASN  27           HA       ASN  27  -1.422   6.618  -2.542
  187    HB2  ASN  27           1HB      ASN  27  -2.985   5.161  -3.777
  188    HB3  ASN  27           2HB      ASN  27  -4.174   5.318  -2.483
  189   HD21  ASN  27          2HD2      ASN  27  -2.132   7.586  -4.348
  190   HD22  ASN  27          1HD2      ASN  27  -3.442   8.664  -4.752
  191    H    GLU  28           H        GLU  28  -3.678   5.665   0.099
  192    HA   GLU  28           HA       GLU  28  -4.588   8.333   0.617
  193    HB2  GLU  28           1HB      GLU  28  -4.318   5.969   2.519
  194    HB3  GLU  28           2HB      GLU  28  -5.136   7.483   2.901
  195    HG2  GLU  28           1HG      GLU  28  -5.959   5.423   0.856
  196    HG3  GLU  28           2HG      GLU  28  -6.810   5.882   2.327
  197    H    ALA  29           H        ALA  29  -1.735   6.539   1.754
  198    HA   ALA  29           HA       ALA  29  -1.040   8.574   3.711
  199    HB1  ALA  29           3HB      ALA  29   1.060   7.254   3.891
  200    HB2  ALA  29           1HB      ALA  29  -0.406   6.259   4.053
  201    HB3  ALA  29           2HB      ALA  29   0.510   6.243   2.529
  202    H    GLY  30           H        GLY  30  -0.604   8.248   0.291
  203    HA2  GLY  30           1HA      GLY  30   0.233   9.821  -1.167
  204    HA3  GLY  30           2HA      GLY  30   0.670  10.837   0.208
  205    H    VAL  31           H        VAL  31   2.079   7.791   0.613
  206    HA   VAL  31           HA       VAL  31   4.699   8.874   0.102
  207    HB   VAL  31           HB       VAL  31   4.340   5.908   0.385
  208   HG11  VAL  31          1HG1      VAL  31   6.157   7.924   1.760
  209   HG12  VAL  31          2HG1      VAL  31   6.264   6.156   1.887
  210   HG13  VAL  31          3HG1      VAL  31   6.573   6.949   0.329
  211   HG21  VAL  31          3HG2      VAL  31   2.653   6.505   1.938
  212   HG22  VAL  31          1HG2      VAL  31   4.101   6.175   2.895
  213   HG23  VAL  31          2HG2      VAL  31   3.615   7.859   2.593
  214    H    GLY  32           H        GLY  32   5.989   8.456  -1.595
  215    HA2  GLY  32           1HA      GLY  32   4.822   7.546  -4.068
  216    HA3  GLY  32           2HA      GLY  32   6.558   7.828  -3.775
  217    H    LEU  33           H        LEU  33   5.111   5.533  -5.106
  218    HA   LEU  33           HA       LEU  33   5.383   3.245  -3.344
  219    HB2  LEU  33           1HB      LEU  33   3.899   3.336  -5.353
  220    HB3  LEU  33           2HB      LEU  33   5.323   3.474  -6.378
  221    HG   LEU  33           HG       LEU  33   6.034   1.195  -5.657
  222   HD11  LEU  33          1HD1      LEU  33   3.320   1.174  -4.282
  223   HD12  LEU  33          2HD1      LEU  33   4.910   1.052  -3.492
  224   HD13  LEU  33          3HD1      LEU  33   4.352  -0.249  -4.552
  225   HD21  LEU  33          3HD2      LEU  33   4.340   0.002  -6.979
  226   HD22  LEU  33          1HD2      LEU  33   4.758   1.553  -7.733
  227   HD23  LEU  33          2HD2      LEU  33   3.231   1.386  -6.831
  228    H    ASP  34           H        ASP  34   7.155   1.819  -3.167
  229    HA   ASP  34           HA       ASP  34   9.542   2.534  -4.833
  230    HB2  ASP  34           1HB      ASP  34   9.782   3.182  -2.409
  231    HB3  ASP  34           2HB      ASP  34   9.649   1.475  -1.986
  232    H    HIS  35           H        HIS  35   8.225  -0.099  -2.712
  233    HA   HIS  35           HA       HIS  35   9.231  -1.992  -4.789
  234    HB2  HIS  35           1HB      HIS  35   8.681  -2.815  -1.967
  235    HB3  HIS  35           2HB      HIS  35   9.673  -3.611  -3.184
  236    HD1  HIS  35           1HD      HIS  35  11.979  -2.153  -3.850
  237    HD2  HIS  35           2HD      HIS  35  10.082  -1.235  -0.255
  238    HE1  HIS  35           1HE      HIS  35  13.650  -0.831  -2.459
  239    H    GLU  36           H        GLU  36   7.895  -3.811  -5.309
  240    HA   GLU  36           HA       GLU  36   5.016  -3.484  -4.542
  241    HB2  GLU  36           1HB      GLU  36   6.399  -5.123  -6.713
  242    HB3  GLU  36           2HB      GLU  36   4.685  -5.271  -6.299
  243    HG2  GLU  36           1HG      GLU  36   4.324  -2.913  -6.920
  244    HG3  GLU  36           2HG      GLU  36   6.036  -2.758  -7.338
  245    H    GLY  37           H        GLY  37   4.141  -5.245  -3.318
  246    HA2  GLY  37           1HA      GLY  37   4.314  -7.288  -2.143
  247    HA3  GLY  37           2HA      GLY  37   6.059  -7.351  -2.479
  248    H    GLU  38           H        GLU  38   5.324  -7.800   0.056
  249    HA   GLU  38           HA       GLU  38   5.237  -5.337   1.630
  250    HB2  GLU  38           1HB      GLU  38   5.719  -7.132   3.501
  251    HB3  GLU  38           2HB      GLU  38   4.124  -7.003   2.758
  252    HG2  GLU  38           1HG      GLU  38   4.498  -8.926   1.383
  253    HG3  GLU  38           2HG      GLU  38   6.210  -8.983   1.824
  254    H    CYS  39           H        CYS  39   6.880  -4.913   3.322
  255    HA   CYS  39           HA       CYS  39   9.626  -5.815   2.638
  256    HB2  CYS  39           1HB      CYS  39  10.408  -3.468   2.693
  257    HB3  CYS  39           2HB      CYS  39   9.267  -3.740   1.365
  258    H    LEU  40           H        LEU  40  11.157  -4.945   4.367
  259    HA   LEU  40           HA       LEU  40   9.996  -4.309   6.974
  260    HB2  LEU  40           1HB      LEU  40   9.894  -6.827   6.865
  261    HB3  LEU  40           2HB      LEU  40  11.601  -6.852   6.439
  262    HG   LEU  40           HG       LEU  40  12.180  -5.944   8.662
  263   HD11  LEU  40          1HD1      LEU  40   9.184  -6.161   9.170
  264   HD12  LEU  40          2HD1      LEU  40  10.178  -4.684   9.205
  265   HD13  LEU  40          3HD1      LEU  40  10.417  -5.935  10.436
  266   HD21  LEU  40          3HD2      LEU  40  10.395  -8.409   8.717
  267   HD22  LEU  40          1HD2      LEU  40  11.641  -7.989   9.917
  268   HD23  LEU  40          2HD2      LEU  40  12.112  -8.367   8.249
  Start of MODEL    7
    1    H1   GLU   1           1H       GLU   1 -21.617   7.927  -2.146
    2    H2   GLU   1           2H       GLU   1 -20.148   8.427  -2.701
    3    H3   GLU   1           3H       GLU   1 -21.262   7.827  -3.755
    4    HA   GLU   1           HA       GLU   1 -21.147   5.658  -2.759
    5    HB2  GLU   1           1HB      GLU   1 -19.081   4.973  -3.642
    6    HB3  GLU   1           2HB      GLU   1 -19.577   6.340  -4.629
    7    HG2  GLU   1           1HG      GLU   1 -17.493   6.493  -2.385
    8    HG3  GLU   1           2HG      GLU   1 -17.115   6.256  -4.092
    9    H    ALA   2           H        ALA   2 -20.382   4.267  -1.099
   10    HA   ALA   2           HA       ALA   2 -19.856   5.691   1.377
   11    HB1  ALA   2           3HB      ALA   2 -19.972   2.699   0.774
   12    HB2  ALA   2           1HB      ALA   2 -19.975   3.443   2.390
   13    HB3  ALA   2           2HB      ALA   2 -21.343   3.718   1.287
   14    H    ALA   3           H        ALA   3 -17.926   3.784  -0.899
   15    HA   ALA   3           HA       ALA   3 -15.454   4.647   0.433
   16    HB1  ALA   3           3HB      ALA   3 -14.572   2.323   0.575
   17    HB2  ALA   3           1HB      ALA   3 -16.010   2.501   1.603
   18    HB3  ALA   3           2HB      ALA   3 -16.139   1.684   0.026
   19    H    VAL   4           H        VAL   4 -13.589   3.895  -1.046
   20    HA   VAL   4           HA       VAL   4 -14.540   3.674  -3.865
   21    HB   VAL   4           HB       VAL   4 -12.630   5.130  -4.559
   22   HG11  VAL   4          1HG1      VAL   4 -14.876   6.093  -4.245
   23   HG12  VAL   4          2HG1      VAL   4 -14.493   6.452  -2.541
   24   HG13  VAL   4          3HG1      VAL   4 -13.604   7.268  -3.851
   25   HG21  VAL   4          3HG2      VAL   4 -12.275   5.658  -1.560
   26   HG22  VAL   4          1HG2      VAL   4 -11.128   4.782  -2.607
   27   HG23  VAL   4          2HG2      VAL   4 -11.438   6.503  -2.878
   28    H    CYS   5           H        CYS   5 -12.336   2.504  -1.470
   29    HA   CYS   5           HA       CYS   5 -10.843   1.017  -3.576
   30    HB2  CYS   5           1HB      CYS   5  -9.802   2.721  -1.754
   31    HB3  CYS   5           2HB      CYS   5  -9.718   1.207  -0.841
   32    H    THR   6           H        THR   6 -10.126  -1.192  -3.007
   33    HA   THR   6           HA       THR   6 -12.251  -2.620  -1.552
   34    HB   THR   6           HB       THR   6 -11.188  -4.588  -2.646
   35    HG1  THR   6           1HG      THR   6  -9.557  -4.112  -4.231
   36   HG21  THR   6          1HG2      THR   6 -11.837  -4.091  -4.927
   37   HG22  THR   6          2HG2      THR   6 -11.685  -2.346  -4.633
   38   HG23  THR   6          3HG2      THR   6 -12.972  -3.278  -3.828
   39    H    THR   7           H        THR   7 -11.528  -4.605  -0.307
   40    HA   THR   7           HA       THR   7  -9.268  -3.879   1.474
   41    HB   THR   7           HB       THR   7 -10.313  -5.654   2.959
   42    HG1  THR   7           1HG      THR   7 -12.272  -6.496   2.309
   43   HG21  THR   7          1HG2      THR   7 -12.237  -4.320   3.624
   44   HG22  THR   7          2HG2      THR   7 -12.264  -3.493   2.052
   45   HG23  THR   7          3HG2      THR   7 -10.911  -3.227   3.178
   46    H    GLU   8           H        GLU   8  -9.062  -5.142  -1.240
   47    HA   GLU   8           HA       GLU   8  -8.348  -7.913  -0.903
   48    HB2  GLU   8           1HB      GLU   8  -7.729  -5.839  -3.023
   49    HB3  GLU   8           2HB      GLU   8  -7.156  -7.510  -3.134
   50    HG2  GLU   8           1HG      GLU   8  -9.362  -8.373  -3.259
   51    HG3  GLU   8           2HG      GLU   8 -10.072  -6.833  -2.768
   52    H    TRP   9           H        TRP   9  -6.543  -8.842  -0.212
   53    HA   TRP   9           HA       TRP   9  -4.400  -7.353   0.983
   54    HB2  TRP   9           1HB      TRP   9  -4.903  -9.607   1.721
   55    HB3  TRP   9           2HB      TRP   9  -4.641 -10.252   0.098
   56    HD1  TRP   9           HD       TRP   9  -2.279 -11.236  -0.333
   57    HE1  TRP   9           1HE      TRP   9  -0.009 -11.224   0.780
   58    HE3  TRP   9           3HE      TRP   9  -3.280  -7.721   3.250
   59    HZ2  TRP   9           2HZ      TRP   9   1.271  -9.811   2.889
   60    HZ3  TRP   9           3HZ      TRP   9  -1.425  -7.043   4.784
   61    HH2  TRP   9           HH       TRP   9   0.826  -8.086   4.604
   62    H    ASP  10           H        ASP  10  -3.144  -6.048  -0.163
   63    HA   ASP  10           HA       ASP  10  -1.810  -7.155  -2.584
   64    HB2  ASP  10           1HB      ASP  10  -3.808  -5.744  -3.235
   65    HB3  ASP  10           2HB      ASP  10  -3.049  -4.376  -2.428
   66    HA   PRO  11           HA       PRO  11   0.720  -5.022   0.606
   67    HB2  PRO  11           1HB      PRO  11   2.913  -6.702   0.593
   68    HB3  PRO  11           2HB      PRO  11   1.460  -6.950   1.613
   69    HG2  PRO  11           1HG      PRO  11   2.106  -8.194  -1.048
   70    HG3  PRO  11           2HG      PRO  11   1.563  -8.966   0.454
   71    HD2  PRO  11           1HD      PRO  11  -0.163  -8.385  -1.523
   72    HD3  PRO  11           2HD      PRO  11  -0.628  -8.122   0.199
   73    H    VAL  12           H        VAL  12   1.975  -3.403   0.210
   74    HA   VAL  12           HA       VAL  12   3.897  -3.478  -2.056
   75    HB   VAL  12           HB       VAL  12   3.157  -1.153  -2.714
   76   HG11  VAL  12          1HG1      VAL  12   0.969  -3.256  -3.038
   77   HG12  VAL  12          2HG1      VAL  12   1.236  -1.843  -4.075
   78   HG13  VAL  12          3HG1      VAL  12   2.441  -3.146  -4.027
   79   HG21  VAL  12          3HG2      VAL  12   0.939  -0.345  -2.060
   80   HG22  VAL  12          1HG2      VAL  12   0.679  -1.774  -1.039
   81   HG23  VAL  12          2HG2      VAL  12   1.937  -0.588  -0.617
   82    H    CYS  13           H        CYS  13   5.461  -1.673  -1.802
   83    HA   CYS  13           HA       CYS  13   5.628  -0.760   1.048
   84    HB2  CYS  13           1HB      CYS  13   7.097  -2.689   0.640
   85    HB3  CYS  13           2HB      CYS  13   7.810  -1.841  -0.726
   86    H    GLY  14           H        GLY  14   5.836   1.356   1.238
   87    HA2  GLY  14           1HA      GLY  14   5.943   2.929  -1.224
   88    HA3  GLY  14           2HA      GLY  14   5.686   3.532   0.414
   89    H    LYS  15           H        LYS  15   7.140   5.079  -1.116
   90    HA   LYS  15           HA       LYS  15   9.981   4.556  -1.084
   91    HB2  LYS  15           1HB      LYS  15   8.351   7.110  -1.298
   92    HB3  LYS  15           2HB      LYS  15  10.119   7.069  -1.412
   93    HG2  LYS  15           1HG      LYS  15   9.957   5.498  -3.285
   94    HG3  LYS  15           2HG      LYS  15   8.203   5.579  -3.231
   95    HD2  LYS  15           1HD      LYS  15   8.298   7.985  -3.738
   96    HD3  LYS  15           2HD      LYS  15  10.072   7.901  -3.793
   97    HE2  LYS  15           1HE      LYS  15   8.185   6.294  -5.576
   98    HE3  LYS  15           2HE      LYS  15   9.015   7.787  -6.064
   99    HZ1  LYS  15           3HZ      LYS  15  10.420   5.311  -5.203
  100    HZ2  LYS  15           1HZ      LYS  15  11.123   6.677  -5.800
  101    HZ3  LYS  15           2HZ      LYS  15  10.176   5.746  -6.776
  102    H    ASP  16           H        ASP  16   7.861   5.283   1.463
  103    HA   ASP  16           HA       ASP  16   9.982   6.493   3.137
  104    HB2  ASP  16           1HB      ASP  16   7.575   7.288   3.198
  105    HB3  ASP  16           2HB      ASP  16   7.132   5.713   3.878
  106    H    GLY  17           H        GLY  17   9.548   3.484   2.033
  107    HA2  GLY  17           1HA      GLY  17  10.550   1.547   2.780
  108    HA3  GLY  17           2HA      GLY  17  10.896   2.320   4.329
  109    H    LYS  18           H        LYS  18   7.856   2.971   4.404
  110    HA   LYS  18           HA       LYS  18   7.215   0.704   6.055
  111    HB2  LYS  18           1HB      LYS  18   5.592   3.085   5.101
  112    HB3  LYS  18           2HB      LYS  18   4.973   1.865   6.227
  113    HG2  LYS  18           1HG      LYS  18   6.762   2.384   7.818
  114    HG3  LYS  18           2HG      LYS  18   7.433   3.586   6.701
  115    HD2  LYS  18           1HD      LYS  18   5.431   4.949   6.876
  116    HD3  LYS  18           2HD      LYS  18   4.622   3.703   7.848
  117    HE2  LYS  18           1HE      LYS  18   5.464   5.521   9.281
  118    HE3  LYS  18           2HE      LYS  18   6.271   3.986   9.648
  119    HZ1  LYS  18           3HZ      LYS  18   7.437   6.096   7.919
  120    HZ2  LYS  18           1HZ      LYS  18   8.187   4.720   8.428
  121    HZ3  LYS  18           2HZ      LYS  18   7.802   5.895   9.519
  122    H    THR  19           H        THR  19   5.932  -0.958   5.794
  123    HA   THR  19           HA       THR  19   5.058  -1.721   3.094
  124    HB   THR  19           HB       THR  19   4.840  -3.116   5.812
  125    HG1  THR  19           1HG      THR  19   6.708  -4.075   5.279
  126   HG21  THR  19          1HG2      THR  19   4.331  -4.114   2.987
  127   HG22  THR  19          2HG2      THR  19   3.158  -4.015   4.323
  128   HG23  THR  19          3HG2      THR  19   4.506  -5.161   4.416
  129    H    TYR  20           H        TYR  20   2.987  -1.596   2.388
  130    HA   TYR  20           HA       TYR  20   0.882  -0.908   4.408
  131    HB2  TYR  20           1HB      TYR  20   1.157  -0.111   1.493
  132    HB3  TYR  20           2HB      TYR  20  -0.282   0.182   2.480
  133    HD1  TYR  20           1HD      TYR  20  -0.240   1.797   4.339
  134    HD2  TYR  20           2HD      TYR  20   3.240   1.160   1.901
  135    HE1  TYR  20           1HE      TYR  20   0.807   3.848   5.293
  136    HE2  TYR  20           2HE      TYR  20   4.281   3.217   2.855
  137    HH   TYR  20           HH       TYR  20   2.614   5.246   5.268
  138    H    SER  21           H        SER  21  -0.890  -2.208   4.461
  139    HA   SER  21           HA       SER  21  -0.574  -4.844   3.534
  140    HB2  SER  21           1HB      SER  21  -3.213  -3.545   4.288
  141    HB3  SER  21           2HB      SER  21  -2.742  -5.249   4.472
  142    HG   SER  21           HG       SER  21  -2.437  -4.308   6.448
  143    H    ASN  22           H        ASN  22  -2.827  -2.321   2.324
  144    HA   ASN  22           HA       ASN  22  -2.784  -3.768  -0.258
  145    HB2  ASN  22           1HB      ASN  22  -4.998  -2.828  -0.811
  146    HB3  ASN  22           2HB      ASN  22  -5.025  -3.969   0.531
  147   HD21  ASN  22          2HD2      ASN  22  -7.122  -2.928   0.899
  148   HD22  ASN  22          1HD2      ASN  22  -7.142  -1.484   1.881
  149    H    LEU  23           H        LEU  23  -3.160  -2.259  -2.136
  150    HA   LEU  23           HA       LEU  23  -1.306  -0.090  -2.132
  151    HB2  LEU  23           1HB      LEU  23  -2.094  -1.403  -4.112
  152    HB3  LEU  23           2HB      LEU  23  -3.666  -0.628  -3.965
  153    HG   LEU  23           HG       LEU  23  -2.591   1.574  -4.446
  154   HD11  LEU  23          1HD1      LEU  23  -0.127  -0.134  -4.990
  155   HD12  LEU  23          2HD1      LEU  23  -0.295   1.097  -3.715
  156   HD13  LEU  23          3HD1      LEU  23  -0.311   1.582  -5.419
  157   HD21  LEU  23          3HD2      LEU  23  -2.253   1.117  -6.846
  158   HD22  LEU  23          1HD2      LEU  23  -3.660   0.242  -6.211
  159   HD23  LEU  23          2HD2      LEU  23  -2.132  -0.626  -6.501
  160    H    CYS  24           H        CYS  24  -4.692  -0.326  -1.238
  161    HA   CYS  24           HA       CYS  24  -5.434   2.386  -1.569
  162    HB2  CYS  24           1HB      CYS  24  -6.394   0.536   0.626
  163    HB3  CYS  24           2HB      CYS  24  -7.262   1.890  -0.093
  164    H    TRP  25           H        TRP  25  -4.020   0.702   1.321
  165    HA   TRP  25           HA       TRP  25  -4.044   3.139   2.866
  166    HB2  TRP  25           1HB      TRP  25  -2.444   0.587   3.222
  167    HB3  TRP  25           2HB      TRP  25  -2.485   1.925   4.379
  168    HD1  TRP  25           HD       TRP  25  -3.945  -1.300   4.155
  169    HE1  TRP  25           1HE      TRP  25  -6.202  -1.543   5.296
  170    HE3  TRP  25           3HE      TRP  25  -5.054   3.680   4.597
  171    HZ2  TRP  25           2HZ      TRP  25  -8.257   0.185   6.247
  172    HZ3  TRP  25           3HZ      TRP  25  -7.233   4.331   5.634
  173    HH2  TRP  25           HH       TRP  25  -8.812   2.585   6.459
  174    H    LEU  26           H        LEU  26  -1.766   1.762   0.560
  175    HA   LEU  26           HA       LEU  26   0.459   3.463   1.246
  176    HB2  LEU  26           1HB      LEU  26   0.614   1.459  -0.165
  177    HB3  LEU  26           2HB      LEU  26  -0.400   2.187  -1.372
  178    HG   LEU  26           HG       LEU  26   2.070   1.945  -1.850
  179   HD11  LEU  26          1HD1      LEU  26   2.127   3.930  -3.216
  180   HD12  LEU  26          2HD1      LEU  26   0.870   4.702  -2.236
  181   HD13  LEU  26          3HD1      LEU  26   0.479   3.270  -3.216
  182   HD21  LEU  26          3HD2      LEU  26   2.244   4.432  -0.142
  183   HD22  LEU  26          1HD2      LEU  26   3.529   3.747  -1.154
  184   HD23  LEU  26          2HD2      LEU  26   2.929   2.839   0.248
  185    H    ASN  27           H        ASN  27  -2.291   3.755  -1.025
  186    HA   ASN  27           HA       ASN  27  -1.606   6.365  -1.992
  187    HB2  ASN  27           1HB      ASN  27  -3.143   4.945  -3.214
  188    HB3  ASN  27           2HB      ASN  27  -4.240   4.860  -1.831
  189   HD21  ASN  27          2HD2      ASN  27  -2.766   7.195  -4.079
  190   HD22  ASN  27          1HD2      ASN  27  -4.147   8.264  -4.099
  191    H    GLU  28           H        GLU  28  -3.730   5.286   0.692
  192    HA   GLU  28           HA       GLU  28  -4.707   7.887   1.365
  193    HB2  GLU  28           1HB      GLU  28  -4.296   5.360   2.992
  194    HB3  GLU  28           2HB      GLU  28  -5.052   6.808   3.660
  195    HG2  GLU  28           1HG      GLU  28  -6.175   5.706   1.108
  196    HG3  GLU  28           2HG      GLU  28  -6.473   4.813   2.608
  197    H    ALA  29           H        ALA  29  -1.723   6.172   2.255
  198    HA   ALA  29           HA       ALA  29  -0.980   8.165   4.248
  199    HB1  ALA  29           3HB      ALA  29  -0.220   5.877   4.478
  200    HB2  ALA  29           1HB      ALA  29   0.574   5.935   2.889
  201    HB3  ALA  29           2HB      ALA  29   1.186   6.938   4.228
  202    H    GLY  30           H        GLY  30  -0.926   8.071   0.822
  203    HA2  GLY  30           1HA      GLY  30  -0.293   9.763  -0.606
  204    HA3  GLY  30           2HA      GLY  30   0.273  10.690   0.788
  205    H    VAL  31           H        VAL  31   1.593   7.491   0.279
  206    HA   VAL  31           HA       VAL  31   4.187   8.802  -0.340
  207    HB   VAL  31           HB       VAL  31   4.134   5.864   0.134
  208   HG11  VAL  31          1HG1      VAL  31   5.781   8.139   1.304
  209   HG12  VAL  31          2HG1      VAL  31   6.104   6.400   1.487
  210   HG13  VAL  31          3HG1      VAL  31   6.214   7.152  -0.116
  211   HG21  VAL  31          3HG2      VAL  31   3.372   7.803   2.351
  212   HG22  VAL  31          1HG2      VAL  31   2.470   6.375   1.776
  213   HG23  VAL  31          2HG2      VAL  31   4.002   6.162   2.630
  214    H    GLY  32           H        GLY  32   5.338   8.275  -2.163
  215    HA2  GLY  32           1HA      GLY  32   3.915   7.023  -4.356
  216    HA3  GLY  32           2HA      GLY  32   5.639   7.479  -4.340
  217    H    LEU  33           H        LEU  33   4.315   4.936  -5.229
  218    HA   LEU  33           HA       LEU  33   5.040   2.890  -3.286
  219    HB2  LEU  33           1HB      LEU  33   3.288   2.636  -5.034
  220    HB3  LEU  33           2HB      LEU  33   4.517   2.756  -6.285
  221    HG   LEU  33           HG       LEU  33   4.901   0.585  -4.277
  222   HD11  LEU  33          1HD1      LEU  33   3.247  -0.857  -5.412
  223   HD12  LEU  33          2HD1      LEU  33   2.686   0.540  -6.359
  224   HD13  LEU  33          3HD1      LEU  33   2.483   0.516  -4.590
  225   HD21  LEU  33          3HD2      LEU  33   5.582  -0.693  -6.247
  226   HD22  LEU  33          1HD2      LEU  33   6.392   0.885  -6.288
  227   HD23  LEU  33          2HD2      LEU  33   4.989   0.586  -7.331
  228    H    ASP  34           H        ASP  34   6.938   1.563  -3.336
  229    HA   ASP  34           HA       ASP  34   8.929   2.339  -5.421
  230    HB2  ASP  34           1HB      ASP  34   9.368   3.205  -2.979
  231    HB3  ASP  34           2HB      ASP  34   9.947   1.556  -2.719
  232    H    HIS  35           H        HIS  35   8.037  -0.189  -2.990
  233    HA   HIS  35           HA       HIS  35   9.101  -2.136  -5.003
  234    HB2  HIS  35           1HB      HIS  35   8.835  -2.730  -2.063
  235    HB3  HIS  35           2HB      HIS  35   9.657  -3.677  -3.292
  236    HD1  HIS  35           1HD      HIS  35  11.869  -2.349  -4.398
  237    HD2  HIS  35           2HD      HIS  35  10.489  -1.054  -0.673
  238    HE1  HIS  35           1HE      HIS  35  13.760  -1.017  -3.344
  239    H    GLU  36           H        GLU  36   7.859  -4.092  -5.242
  240    HA   GLU  36           HA       GLU  36   4.994  -3.820  -4.403
  241    HB2  GLU  36           1HB      GLU  36   6.374  -5.606  -6.458
  242    HB3  GLU  36           2HB      GLU  36   4.666  -5.726  -6.014
  243    HG2  GLU  36           1HG      GLU  36   4.242  -3.489  -6.890
  244    HG3  GLU  36           2HG      GLU  36   5.965  -3.266  -7.228
  245    H    GLY  37           H        GLY  37   4.212  -5.563  -3.061
  246    HA2  GLY  37           1HA      GLY  37   4.491  -7.477  -1.725
  247    HA3  GLY  37           2HA      GLY  37   6.205  -7.570  -2.188
  248    H    GLU  38           H        GLU  38   5.837  -7.892   0.388
  249    HA   GLU  38           HA       GLU  38   5.656  -5.419   1.885
  250    HB2  GLU  38           1HB      GLU  38   6.665  -8.168   2.701
  251    HB3  GLU  38           2HB      GLU  38   6.273  -6.845   3.803
  252    HG2  GLU  38           1HG      GLU  38   3.911  -6.928   3.010
  253    HG3  GLU  38           2HG      GLU  38   4.320  -8.325   2.005
  254    H    CYS  39           H        CYS  39   7.305  -4.601   3.298
  255    HA   CYS  39           HA       CYS  39  10.134  -5.146   2.456
  256    HB2  CYS  39           1HB      CYS  39   8.781  -2.652   3.565
  257    HB3  CYS  39           2HB      CYS  39  10.509  -2.937   3.772
  258    H    LEU  40           H        LEU  40  11.584  -5.123   4.384
  259    HA   LEU  40           HA       LEU  40  10.315  -5.593   7.002
  260    HB2  LEU  40           1HB      LEU  40  10.459  -7.842   5.872
  261    HB3  LEU  40           2HB      LEU  40  12.177  -7.561   5.601
  262    HG   LEU  40           HG       LEU  40  12.569  -7.574   8.043
  263   HD11  LEU  40          1HD1      LEU  40  10.749  -8.440   9.527
  264   HD12  LEU  40          2HD1      LEU  40   9.599  -8.242   8.182
  265   HD13  LEU  40          3HD1      LEU  40  10.418  -6.823   8.883
  266   HD21  LEU  40          3HD2      LEU  40  12.790  -9.621   6.696
  267   HD22  LEU  40          1HD2      LEU  40  11.072  -9.998   6.968
  268   HD23  LEU  40          2HD2      LEU  40  12.214  -9.992   8.333
  Start of MODEL    8
    1    H1   GLU   1           1H       GLU   1  -8.266   5.628 -11.338
    2    H2   GLU   1           2H       GLU   1  -8.877   7.064 -10.805
    3    H3   GLU   1           3H       GLU   1  -7.506   6.449 -10.123
    4    HA   GLU   1           HA       GLU   1  -8.684   4.608  -9.189
    5    HB2  GLU   1           1HB      GLU   1  -9.674   5.722  -7.432
    6    HB3  GLU   1           2HB      GLU   1  -8.607   6.963  -8.074
    7    HG2  GLU   1           1HG      GLU   1 -11.625   6.796  -8.618
    8    HG3  GLU   1           2HG      GLU   1 -10.875   7.813  -7.388
    9    H    ALA   2           H        ALA   2 -10.810   3.665  -8.663
   10    HA   ALA   2           HA       ALA   2 -13.059   4.404 -10.446
   11    HB1  ALA   2           3HB      ALA   2 -13.401   1.901 -10.945
   12    HB2  ALA   2           1HB      ALA   2 -12.042   2.647 -11.815
   13    HB3  ALA   2           2HB      ALA   2 -11.725   1.629 -10.395
   14    H    ALA   3           H        ALA   3 -12.397   1.442  -8.596
   15    HA   ALA   3           HA       ALA   3 -14.072   2.246  -6.321
   16    HB1  ALA   3           3HB      ALA   3 -13.674  -0.183  -6.829
   17    HB2  ALA   3           1HB      ALA   3 -11.922   0.069  -6.616
   18    HB3  ALA   3           2HB      ALA   3 -13.023   0.251  -5.231
   19    H    VAL   4           H        VAL   4 -12.998   2.986  -4.279
   20    HA   VAL   4           HA       VAL   4 -10.463   4.371  -4.933
   21    HB   VAL   4           HB       VAL   4 -11.039   5.966  -3.106
   22   HG11  VAL   4          1HG1      VAL   4 -13.196   5.658  -5.247
   23   HG12  VAL   4          2HG1      VAL   4 -12.808   7.143  -4.347
   24   HG13  VAL   4          3HG1      VAL   4 -11.618   6.448  -5.465
   25   HG21  VAL   4          3HG2      VAL   4 -13.347   5.993  -2.197
   26   HG22  VAL   4          1HG2      VAL   4 -13.720   4.477  -3.040
   27   HG23  VAL   4          2HG2      VAL   4 -12.511   4.506  -1.729
   28    H    CYS   5           H        CYS   5 -11.919   2.304  -2.562
   29    HA   CYS   5           HA       CYS   5  -9.175   1.830  -1.493
   30    HB2  CYS   5           1HB      CYS   5 -11.051   2.685   0.098
   31    HB3  CYS   5           2HB      CYS   5 -11.727   1.061  -0.062
   32    H    THR   6           H        THR   6  -8.406  -0.326  -1.714
   33    HA   THR   6           HA       THR   6 -10.295  -2.290  -2.894
   34    HB   THR   6           HB       THR   6  -8.123  -3.650  -2.985
   35    HG1  THR   6           1HG      THR   6  -6.223  -2.280  -2.915
   36   HG21  THR   6          1HG2      THR   6  -9.038  -2.463  -4.976
   37   HG22  THR   6          2HG2      THR   6  -7.261  -2.514  -4.971
   38   HG23  THR   6          3HG2      THR   6  -8.107  -1.020  -4.506
   39    H    THR   7           H        THR   7 -10.710  -4.264  -1.695
   40    HA   THR   7           HA       THR   7  -9.819  -4.183   1.125
   41    HB   THR   7           HB       THR   7 -11.597  -5.943   1.481
   42    HG1  THR   7           1HG      THR   7 -12.959  -6.367  -0.240
   43   HG21  THR   7          1HG2      THR   7 -13.505  -4.440   1.322
   44   HG22  THR   7          2HG2      THR   7 -12.654  -3.410   0.150
   45   HG23  THR   7          3HG2      THR   7 -12.086  -3.502   1.836
   46    H    GLU   8           H        GLU   8  -8.737  -5.129  -1.527
   47    HA   GLU   8           HA       GLU   8  -8.192  -7.954  -1.175
   48    HB2  GLU   8           1HB      GLU   8  -8.405  -6.797  -3.396
   49    HB3  GLU   8           2HB      GLU   8  -6.870  -5.979  -3.077
   50    HG2  GLU   8           1HG      GLU   8  -6.464  -7.886  -4.508
   51    HG3  GLU   8           2HG      GLU   8  -5.764  -8.213  -2.920
   52    H    TRP   9           H        TRP   9  -6.517  -8.900  -0.103
   53    HA   TRP   9           HA       TRP   9  -4.459  -7.399   1.266
   54    HB2  TRP   9           1HB      TRP   9  -4.888  -9.653   2.011
   55    HB3  TRP   9           2HB      TRP   9  -4.712 -10.297   0.373
   56    HD1  TRP   9           HD       TRP   9  -2.366 -11.268  -0.215
   57    HE1  TRP   9           1HE      TRP   9  -0.049 -11.297   0.787
   58    HE3  TRP   9           3HE      TRP   9  -3.177  -7.848   3.506
   59    HZ2  TRP   9           2HZ      TRP   9   1.340  -9.946   2.867
   60    HZ3  TRP   9           3HZ      TRP   9  -1.245  -7.217   4.960
   61    HH2  TRP   9           HH       TRP   9   0.988  -8.263   4.643
   62    H    ASP  10           H        ASP  10  -3.154  -6.103   0.153
   63    HA   ASP  10           HA       ASP  10  -1.942  -7.096  -2.385
   64    HB2  ASP  10           1HB      ASP  10  -3.999  -5.655  -2.800
   65    HB3  ASP  10           2HB      ASP  10  -3.179  -4.343  -1.975
   66    HA   PRO  11           HA       PRO  11   0.753  -5.114   0.787
   67    HB2  PRO  11           1HB      PRO  11   2.926  -6.813   0.561
   68    HB3  PRO  11           2HB      PRO  11   1.543  -7.085   1.667
   69    HG2  PRO  11           1HG      PRO  11   2.004  -8.246  -1.064
   70    HG3  PRO  11           2HG      PRO  11   1.529  -9.055   0.438
   71    HD2  PRO  11           1HD      PRO  11  -0.280  -8.379  -1.432
   72    HD3  PRO  11           2HD      PRO  11  -0.654  -8.185   0.322
   73    H    VAL  12           H        VAL  12   1.888  -3.446   0.311
   74    HA   VAL  12           HA       VAL  12   3.701  -3.440  -2.044
   75    HB   VAL  12           HB       VAL  12   2.849  -1.135  -2.634
   76   HG11  VAL  12          1HG1      VAL  12   2.118  -3.142  -3.919
   77   HG12  VAL  12          2HG1      VAL  12   0.705  -3.292  -2.855
   78   HG13  VAL  12          3HG1      VAL  12   0.885  -1.866  -3.896
   79   HG21  VAL  12          3HG2      VAL  12   0.497  -1.849  -0.817
   80   HG22  VAL  12          1HG2      VAL  12   1.734  -0.616  -0.471
   81   HG23  VAL  12          2HG2      VAL  12   0.637  -0.411  -1.847
   82    H    CYS  13           H        CYS  13   5.220  -1.570  -1.797
   83    HA   CYS  13           HA       CYS  13   5.403  -0.672   1.047
   84    HB2  CYS  13           1HB      CYS  13   6.852  -2.635   0.684
   85    HB3  CYS  13           2HB      CYS  13   7.608  -1.806  -0.669
   86    H    GLY  14           H        GLY  14   5.788   1.445   1.248
   87    HA2  GLY  14           1HA      GLY  14   5.759   2.987  -1.234
   88    HA3  GLY  14           2HA      GLY  14   5.640   3.609   0.414
   89    H    LYS  15           H        LYS  15   6.990   5.173  -1.070
   90    HA   LYS  15           HA       LYS  15   9.844   4.607  -1.267
   91    HB2  LYS  15           1HB      LYS  15   8.193   7.155  -1.377
   92    HB3  LYS  15           2HB      LYS  15   9.958   7.143  -1.517
   93    HG2  LYS  15           1HG      LYS  15   9.809   5.671  -3.469
   94    HG3  LYS  15           2HG      LYS  15   8.053   5.677  -3.372
   95    HD2  LYS  15           1HD      LYS  15   7.984   8.055  -3.838
   96    HD3  LYS  15           2HD      LYS  15   9.753   8.162  -3.724
   97    HE2  LYS  15           1HE      LYS  15   9.133   8.129  -6.068
   98    HE3  LYS  15           2HE      LYS  15   9.970   6.622  -5.660
   99    HZ1  LYS  15           3HZ      LYS  15   8.039   6.198  -7.028
  100    HZ2  LYS  15           1HZ      LYS  15   7.037   6.933  -5.948
  101    HZ3  LYS  15           2HZ      LYS  15   7.797   5.525  -5.544
  102    H    ASP  16           H        ASP  16   7.764   5.262   1.304
  103    HA   ASP  16           HA       ASP  16   9.792   6.498   3.043
  104    HB2  ASP  16           1HB      ASP  16   8.017   6.490   4.715
  105    HB3  ASP  16           2HB      ASP  16   7.399   7.161   3.200
  106    H    GLY  17           H        GLY  17   9.307   3.465   1.829
  107    HA2  GLY  17           1HA      GLY  17  10.363   1.507   2.438
  108    HA3  GLY  17           2HA      GLY  17  10.909   2.276   3.931
  109    H    LYS  18           H        LYS  18   7.606   2.769   3.894
  110    HA   LYS  18           HA       LYS  18   7.342   0.547   5.821
  111    HB2  LYS  18           1HB      LYS  18   5.415   2.781   5.099
  112    HB3  LYS  18           2HB      LYS  18   5.165   1.566   6.360
  113    HG2  LYS  18           1HG      LYS  18   7.531   2.459   7.202
  114    HG3  LYS  18           2HG      LYS  18   7.031   3.915   6.328
  115    HD2  LYS  18           1HD      LYS  18   5.419   2.494   8.497
  116    HD3  LYS  18           2HD      LYS  18   6.407   3.936   8.757
  117    HE2  LYS  18           1HE      LYS  18   4.003   3.791   6.885
  118    HE3  LYS  18           2HE      LYS  18   3.965   4.416   8.541
  119    HZ1  LYS  18           3HZ      LYS  18   5.632   6.078   7.823
  120    HZ2  LYS  18           1HZ      LYS  18   4.190   6.222   7.031
  121    HZ3  LYS  18           2HZ      LYS  18   5.480   5.543   6.264
  122    H    THR  19           H        THR  19   6.047  -1.144   5.691
  123    HA   THR  19           HA       THR  19   4.959  -1.909   3.081
  124    HB   THR  19           HB       THR  19   4.835  -3.267   5.823
  125    HG1  THR  19           1HG      THR  19   6.680  -4.222   5.254
  126   HG21  THR  19          1HG2      THR  19   4.400  -5.320   4.459
  127   HG22  THR  19          2HG2      THR  19   4.196  -4.281   3.026
  128   HG23  THR  19          3HG2      THR  19   3.076  -4.143   4.402
  129    H    TYR  20           H        TYR  20   2.881  -1.699   2.475
  130    HA   TYR  20           HA       TYR  20   0.872  -1.005   4.598
  131    HB2  TYR  20           1HB      TYR  20   1.012  -0.202   1.674
  132    HB3  TYR  20           2HB      TYR  20  -0.395   0.058   2.713
  133    HD1  TYR  20           2HD      TYR  20   3.135   1.069   2.087
  134    HD2  TYR  20           1HD      TYR  20  -0.386   1.764   4.455
  135    HE1  TYR  20           2HE      TYR  20   4.149   3.171   2.978
  136    HE2  TYR  20           1HE      TYR  20   0.636   3.862   5.343
  137    HH   TYR  20           HH       TYR  20   3.916   4.944   4.399
  138    H    SER  21           H        SER  21  -0.908  -2.338   4.678
  139    HA   SER  21           HA       SER  21  -0.492  -4.965   3.657
  140    HB2  SER  21           1HB      SER  21  -2.909  -5.274   4.523
  141    HB3  SER  21           2HB      SER  21  -1.654  -4.807   5.691
  142    HG   SER  21           HG       SER  21  -3.443  -3.494   5.977
  143    H    ASN  22           H        ASN  22  -2.969  -2.506   2.784
  144    HA   ASN  22           HA       ASN  22  -3.062  -3.848   0.138
  145    HB2  ASN  22           1HB      ASN  22  -5.291  -2.845  -0.241
  146    HB3  ASN  22           2HB      ASN  22  -5.245  -4.056   1.034
  147   HD21  ASN  22          2HD2      ASN  22  -7.123  -3.250   1.989
  148   HD22  ASN  22          1HD2      ASN  22  -7.112  -1.745   2.876
  149    H    LEU  23           H        LEU  23  -3.482  -2.383  -1.688
  150    HA   LEU  23           HA       LEU  23  -1.654  -0.188  -1.785
  151    HB2  LEU  23           1HB      LEU  23  -2.446  -1.559  -3.714
  152    HB3  LEU  23           2HB      LEU  23  -4.040  -0.837  -3.549
  153    HG   LEU  23           HG       LEU  23  -3.063   1.387  -4.116
  154   HD11  LEU  23          1HD1      LEU  23  -0.811   1.471  -5.133
  155   HD12  LEU  23          2HD1      LEU  23  -0.545  -0.231  -4.688
  156   HD13  LEU  23          3HD1      LEU  23  -0.730   1.009  -3.425
  157   HD21  LEU  23          3HD2      LEU  23  -2.758   0.874  -6.510
  158   HD22  LEU  23          1HD2      LEU  23  -4.119  -0.030  -5.817
  159   HD23  LEU  23          2HD2      LEU  23  -2.569  -0.853  -6.118
  160    H    CYS  24           H        CYS  24  -4.997  -0.457  -0.767
  161    HA   CYS  24           HA       CYS  24  -5.823   2.234  -1.156
  162    HB2  CYS  24           1HB      CYS  24  -7.364   0.419  -0.579
  163    HB3  CYS  24           2HB      CYS  24  -6.603   0.238   0.990
  164    H    TRP  25           H        TRP  25  -4.310   0.685   1.785
  165    HA   TRP  25           HA       TRP  25  -4.272   3.214   3.152
  166    HB2  TRP  25           1HB      TRP  25  -2.519   0.806   3.677
  167    HB3  TRP  25           2HB      TRP  25  -2.879   2.127   4.797
  168    HD1  TRP  25           HD       TRP  25  -3.639  -1.202   4.828
  169    HE1  TRP  25           1HE      TRP  25  -5.966  -1.885   5.580
  170    HE3  TRP  25           3HE      TRP  25  -5.947   3.322   4.185
  171    HZ2  TRP  25           2HZ      TRP  25  -8.528  -0.659   5.811
  172    HZ3  TRP  25           3HZ      TRP  25  -8.387   3.500   4.685
  173    HH2  TRP  25           HH       TRP  25  -9.660   1.512   5.484
  174    H    LEU  26           H        LEU  26  -2.030   1.695   0.892
  175    HA   LEU  26           HA       LEU  26   0.199   3.445   1.424
  176    HB2  LEU  26           1HB      LEU  26   0.336   1.393   0.079
  177    HB3  LEU  26           2HB      LEU  26  -0.727   2.069  -1.122
  178    HG   LEU  26           HG       LEU  26   1.716   1.851  -1.692
  179   HD11  LEU  26          1HD1      LEU  26   1.734   3.801  -3.085
  180   HD12  LEU  26          2HD1      LEU  26   0.561   4.630  -2.052
  181   HD13  LEU  26          3HD1      LEU  26   0.067   3.201  -2.989
  182   HD21  LEU  26          3HD2      LEU  26   3.216   3.651  -1.064
  183   HD22  LEU  26          1HD2      LEU  26   2.673   2.753   0.366
  184   HD23  LEU  26          2HD2      LEU  26   1.978   4.348  -0.002
  185    H    ASN  27           H        ASN  27  -2.643   3.643  -0.748
  186    HA   ASN  27           HA       ASN  27  -1.984   6.187  -1.875
  187    HB2  ASN  27           1HB      ASN  27  -3.731   4.384  -2.593
  188    HB3  ASN  27           2HB      ASN  27  -4.820   5.200  -1.465
  189   HD21  ASN  27          2HD2      ASN  27  -4.401   7.841  -1.823
  190   HD22  ASN  27          1HD2      ASN  27  -4.704   8.281  -3.486
  191    H    GLU  28           H        GLU  28  -3.947   5.276   1.008
  192    HA   GLU  28           HA       GLU  28  -4.852   7.955   1.537
  193    HB2  GLU  28           1HB      GLU  28  -4.458   5.598   3.422
  194    HB3  GLU  28           2HB      GLU  28  -5.247   7.114   3.862
  195    HG2  GLU  28           1HG      GLU  28  -6.218   5.121   1.796
  196    HG3  GLU  28           2HG      GLU  28  -6.927   5.434   3.377
  197    H    ALA  29           H        ALA  29  -1.884   6.211   2.412
  198    HA   ALA  29           HA       ALA  29  -1.012   8.264   4.278
  199    HB1  ALA  29           3HB      ALA  29  -0.260   5.970   4.531
  200    HB2  ALA  29           1HB      ALA  29   0.449   5.979   2.902
  201    HB3  ALA  29           2HB      ALA  29   1.141   7.009   4.181
  202    H    GLY  30           H        GLY  30  -1.108   8.043   0.854
  203    HA2  GLY  30           1HA      GLY  30  -0.532   9.662  -0.672
  204    HA3  GLY  30           2HA      GLY  30   0.114  10.643   0.646
  205    H    VAL  31           H        VAL  31   1.505   7.497   0.489
  206    HA   VAL  31           HA       VAL  31   4.019   8.730  -0.382
  207    HB   VAL  31           HB       VAL  31   3.922   5.789   0.085
  208   HG11  VAL  31          1HG1      VAL  31   5.697   7.995   1.192
  209   HG12  VAL  31          2HG1      VAL  31   5.992   6.245   1.269
  210   HG13  VAL  31          3HG1      VAL  31   6.008   7.071  -0.298
  211   HG21  VAL  31          3HG2      VAL  31   3.342   7.753   2.333
  212   HG22  VAL  31          1HG2      VAL  31   2.379   6.338   1.825
  213   HG23  VAL  31          2HG2      VAL  31   3.957   6.102   2.584
  214    H    GLY  32           H        GLY  32   5.074   8.195  -2.233
  215    HA2  GLY  32           1HA      GLY  32   3.527   6.964  -4.369
  216    HA3  GLY  32           2HA      GLY  32   5.238   7.460  -4.456
  217    H    LEU  33           H        LEU  33   3.725   4.846  -5.124
  218    HA   LEU  33           HA       LEU  33   4.669   2.835  -3.297
  219    HB2  LEU  33           1HB      LEU  33   2.869   2.556  -5.000
  220    HB3  LEU  33           2HB      LEU  33   4.069   2.664  -6.280
  221    HG   LEU  33           HG       LEU  33   4.453   0.530  -4.213
  222   HD11  LEU  33          1HD1      LEU  33   2.855  -0.942  -5.396
  223   HD12  LEU  33          2HD1      LEU  33   2.327   0.436  -6.388
  224   HD13  LEU  33          3HD1      LEU  33   2.049   0.440  -4.629
  225   HD21  LEU  33          3HD2      LEU  33   5.225  -0.774  -6.124
  226   HD22  LEU  33          1HD2      LEU  33   6.025   0.806  -6.164
  227   HD23  LEU  33          2HD2      LEU  33   4.668   0.477  -7.259
  228    H    ASP  34           H        ASP  34   6.613   1.670  -3.293
  229    HA   ASP  34           HA       ASP  34   8.642   2.547  -5.328
  230    HB2  ASP  34           1HB      ASP  34   8.991   3.306  -2.896
  231    HB3  ASP  34           2HB      ASP  34   9.348   1.619  -2.536
  232    H    HIS  35           H        HIS  35   7.833  -0.085  -2.982
  233    HA   HIS  35           HA       HIS  35   8.952  -1.984  -5.015
  234    HB2  HIS  35           1HB      HIS  35   8.635  -2.604  -2.084
  235    HB3  HIS  35           2HB      HIS  35   9.617  -3.439  -3.273
  236    HD1  HIS  35           1HD      HIS  35  11.821  -2.016  -4.135
  237    HD2  HIS  35           2HD      HIS  35   9.947  -0.636  -0.661
  238    HE1  HIS  35           1HE      HIS  35  13.471  -0.462  -2.982
  239    H    GLU  36           H        GLU  36   7.774  -3.968  -5.301
  240    HA   GLU  36           HA       GLU  36   4.890  -3.782  -4.517
  241    HB2  GLU  36           1HB      GLU  36   6.337  -5.594  -6.504
  242    HB3  GLU  36           2HB      GLU  36   4.613  -5.670  -6.133
  243    HG2  GLU  36           1HG      GLU  36   5.982  -3.235  -7.350
  244    HG3  GLU  36           2HG      GLU  36   5.188  -4.504  -8.292
  245    H    GLY  37           H        GLY  37   4.116  -5.480  -3.148
  246    HA2  GLY  37           1HA      GLY  37   4.364  -7.387  -1.802
  247    HA3  GLY  37           2HA      GLY  37   6.070  -7.520  -2.279
  248    H    GLU  38           H        GLU  38   5.769  -7.870   0.274
  249    HA   GLU  38           HA       GLU  38   5.619  -5.447   1.847
  250    HB2  GLU  38           1HB      GLU  38   6.732  -8.184   2.552
  251    HB3  GLU  38           2HB      GLU  38   6.320  -6.909   3.699
  252    HG2  GLU  38           1HG      GLU  38   3.943  -7.066   2.971
  253    HG3  GLU  38           2HG      GLU  38   4.378  -8.410   1.908
  254    H    CYS  39           H        CYS  39   7.295  -4.614   3.205
  255    HA   CYS  39           HA       CYS  39  10.104  -5.085   2.262
  256    HB2  CYS  39           1HB      CYS  39   8.758  -2.680   3.562
  257    HB3  CYS  39           2HB      CYS  39  10.501  -2.937   3.645
  258    H    LEU  40           H        LEU  40  11.614  -5.277   4.059
  259    HA   LEU  40           HA       LEU  40  10.437  -5.928   6.713
  260    HB2  LEU  40           1HB      LEU  40  12.341  -7.624   5.041
  261    HB3  LEU  40           2HB      LEU  40  12.297  -7.706   6.790
  262    HG   LEU  40           HG       LEU  40   9.861  -8.417   6.605
  263   HD11  LEU  40          1HD1      LEU  40   9.281  -9.611   4.474
  264   HD12  LEU  40          2HD1      LEU  40  10.686  -8.839   3.701
  265   HD13  LEU  40          3HD1      LEU  40   9.339  -7.853   4.301
  266   HD21  LEU  40          3HD2      LEU  40  12.065 -10.175   5.453
  267   HD22  LEU  40          1HD2      LEU  40  10.544 -10.750   6.179
  268   HD23  LEU  40          2HD2      LEU  40  11.736  -9.895   7.180
  Start of MODEL    9
    1    H1   GLU   1           1H       GLU   1 -13.826   9.363 -11.333
    2    H2   GLU   1           2H       GLU   1 -15.185   9.120 -10.427
    3    H3   GLU   1           3H       GLU   1 -13.759   9.488  -9.687
    4    HA   GLU   1           HA       GLU   1 -14.358   7.011 -11.168
    5    HB2  GLU   1           1HB      GLU   1 -12.055   7.589 -11.525
    6    HB3  GLU   1           2HB      GLU   1 -11.838   8.065  -9.845
    7    HG2  GLU   1           1HG      GLU   1 -10.702   5.961 -10.243
    8    HG3  GLU   1           2HG      GLU   1 -12.050   5.698  -9.135
    9    H    ALA   2           H        ALA   2 -15.123   5.325  -9.929
   10    HA   ALA   2           HA       ALA   2 -16.246   6.058  -7.406
   11    HB1  ALA   2           3HB      ALA   2 -17.034   3.714  -7.348
   12    HB2  ALA   2           1HB      ALA   2 -17.313   4.455  -8.940
   13    HB3  ALA   2           2HB      ALA   2 -15.964   3.313  -8.711
   14    H    ALA   3           H        ALA   3 -13.434   3.958  -8.190
   15    HA   ALA   3           HA       ALA   3 -12.449   4.330  -5.442
   16    HB1  ALA   3           3HB      ALA   3 -13.033   1.559  -6.609
   17    HB2  ALA   3           1HB      ALA   3 -12.179   1.880  -5.080
   18    HB3  ALA   3           2HB      ALA   3 -13.896   2.316  -5.246
   19    H    VAL   4           H        VAL   4 -10.197   3.753  -5.279
   20    HA   VAL   4           HA       VAL   4  -8.857   3.245  -7.884
   21    HB   VAL   4           HB       VAL   4  -7.030   4.845  -7.182
   22   HG11  VAL   4          1HG1      VAL   4  -9.783   6.110  -7.522
   23   HG12  VAL   4          2HG1      VAL   4  -8.214   6.871  -7.877
   24   HG13  VAL   4          3HG1      VAL   4  -8.758   5.480  -8.836
   25   HG21  VAL   4          3HG2      VAL   4  -7.566   4.946  -4.743
   26   HG22  VAL   4          1HG2      VAL   4  -7.521   6.553  -5.477
   27   HG23  VAL   4          2HG2      VAL   4  -9.087   5.796  -5.118
   28    H    CYS   5           H        CYS   5  -8.908   2.755  -4.463
   29    HA   CYS   5           HA       CYS   5  -6.483   1.048  -4.686
   30    HB2  CYS   5           1HB      CYS   5  -6.149   1.423  -2.331
   31    HB3  CYS   5           2HB      CYS   5  -6.259   2.967  -3.171
   32    H    THR   6           H        THR   6  -6.504  -1.005  -3.487
   33    HA   THR   6           HA       THR   6  -9.229  -2.172  -3.373
   34    HB   THR   6           HB       THR   6  -7.825  -4.288  -3.077
   35    HG1  THR   6           1HG      THR   6  -5.559  -3.872  -3.783
   36   HG21  THR   6          1HG2      THR   6  -7.099  -4.409  -5.393
   37   HG22  THR   6          2HG2      THR   6  -7.120  -2.638  -5.531
   38   HG23  THR   6          3HG2      THR   6  -8.644  -3.534  -5.318
   39    H    THR   7           H        THR   7  -9.948  -3.372  -1.534
   40    HA   THR   7           HA       THR   7  -8.531  -2.785   0.996
   41    HB   THR   7           HB       THR   7 -10.671  -3.508   2.113
   42    HG1  THR   7           1HG      THR   7 -12.454  -3.827   0.742
   43   HG21  THR   7          1HG2      THR   7 -11.988  -1.539   1.545
   44   HG22  THR   7          2HG2      THR   7 -11.109  -1.337   0.014
   45   HG23  THR   7          3HG2      THR   7 -10.270  -1.088   1.565
   46    H    GLU   8           H        GLU   8  -8.629  -4.770  -1.263
   47    HA   GLU   8           HA       GLU   8  -8.598  -7.396   0.006
   48    HB2  GLU   8           1HB      GLU   8  -7.755  -6.445  -2.763
   49    HB3  GLU   8           2HB      GLU   8  -7.709  -8.126  -2.221
   50    HG2  GLU   8           1HG      GLU   8  -9.756  -8.261  -3.073
   51    HG3  GLU   8           2HG      GLU   8 -10.278  -7.460  -1.593
   52    H    TRP   9           H        TRP   9  -6.833  -8.487   0.723
   53    HA   TRP   9           HA       TRP   9  -4.515  -7.149   1.629
   54    HB2  TRP   9           1HB      TRP   9  -5.014  -9.338   2.488
   55    HB3  TRP   9           2HB      TRP   9  -5.026 -10.045   0.868
   56    HD1  TRP   9           HD       TRP   9  -2.759 -11.064   0.005
   57    HE1  TRP   9           1HE      TRP   9  -0.390 -11.281   0.847
   58    HE3  TRP   9           3HE      TRP   9  -3.111  -7.789   3.924
   59    HZ2  TRP   9           2HZ      TRP   9   1.210 -10.130   2.889
   60    HZ3  TRP   9           3HZ      TRP   9  -1.050  -7.359   5.277
   61    HH2  TRP   9           HH       TRP   9   1.084  -8.525   4.763
   62    H    ASP  10           H        ASP  10  -3.307  -5.944   0.408
   63    HA   ASP  10           HA       ASP  10  -2.209  -7.046  -2.143
   64    HB2  ASP  10           1HB      ASP  10  -4.235  -5.548  -2.541
   65    HB3  ASP  10           2HB      ASP  10  -3.344  -4.236  -1.776
   66    HA   PRO  11           HA       PRO  11   0.604  -5.121   0.958
   67    HB2  PRO  11           1HB      PRO  11   2.758  -6.833   0.578
   68    HB3  PRO  11           2HB      PRO  11   1.449  -7.091   1.774
   69    HG2  PRO  11           1HG      PRO  11   1.715  -8.250  -0.982
   70    HG3  PRO  11           2HG      PRO  11   1.324  -9.053   0.547
   71    HD2  PRO  11           1HD      PRO  11  -0.591  -8.355  -1.200
   72    HD3  PRO  11           2HD      PRO  11  -0.840  -8.133   0.571
   73    H    VAL  12           H        VAL  12   1.796  -3.479   0.494
   74    HA   VAL  12           HA       VAL  12   3.436  -3.397  -1.978
   75    HB   VAL  12           HB       VAL  12   2.517  -1.055  -2.394
   76   HG11  VAL  12          1HG1      VAL  12   1.903  -2.998  -3.824
   77   HG12  VAL  12          2HG1      VAL  12   0.489  -3.286  -2.789
   78   HG13  VAL  12          3HG1      VAL  12   0.614  -1.783  -3.728
   79   HG21  VAL  12          3HG2      VAL  12   0.280  -0.490  -1.571
   80   HG22  VAL  12          1HG2      VAL  12   0.205  -2.003  -0.646
   81   HG23  VAL  12          2HG2      VAL  12   1.386  -0.744  -0.209
   82    H    CYS  13           H        CYS  13   4.904  -1.494  -1.839
   83    HA   CYS  13           HA       CYS  13   5.299  -0.617   0.984
   84    HB2  CYS  13           1HB      CYS  13   6.767  -2.530   0.439
   85    HB3  CYS  13           2HB      CYS  13   7.400  -1.622  -0.930
   86    H    GLY  14           H        GLY  14   5.658   1.480   1.215
   87    HA2  GLY  14           1HA      GLY  14   5.382   3.146  -1.155
   88    HA3  GLY  14           2HA      GLY  14   5.506   3.689   0.522
   89    H    LYS  15           H        LYS  15   6.702   5.234  -1.222
   90    HA   LYS  15           HA       LYS  15   9.446   4.551  -1.823
   91    HB2  LYS  15           1HB      LYS  15   7.985   7.203  -1.634
   92    HB3  LYS  15           2HB      LYS  15   9.684   7.052  -2.113
   93    HG2  LYS  15           1HG      LYS  15   9.012   5.566  -3.969
   94    HG3  LYS  15           2HG      LYS  15   7.325   5.797  -3.545
   95    HD2  LYS  15           1HD      LYS  15   7.547   8.210  -3.980
   96    HD3  LYS  15           2HD      LYS  15   9.258   7.960  -4.405
   97    HE2  LYS  15           1HE      LYS  15   8.553   6.365  -6.190
   98    HE3  LYS  15           2HE      LYS  15   6.857   6.708  -5.806
   99    HZ1  LYS  15           3HZ      LYS  15   7.263   9.025  -6.411
  100    HZ2  LYS  15           1HZ      LYS  15   7.629   8.026  -7.673
  101    HZ3  LYS  15           2HZ      LYS  15   8.838   8.694  -6.771
  102    H    ASP  16           H        ASP  16   7.911   5.498   1.112
  103    HA   ASP  16           HA       ASP  16  10.476   6.383   2.289
  104    HB2  ASP  16           1HB      ASP  16   9.206   7.089   4.166
  105    HB3  ASP  16           2HB      ASP  16   8.310   7.605   2.729
  106    H    GLY  17           H        GLY  17   9.337   3.498   1.474
  107    HA2  GLY  17           1HA      GLY  17  10.257   1.477   2.093
  108    HA3  GLY  17           2HA      GLY  17  10.929   2.219   3.539
  109    H    LYS  18           H        LYS  18   7.624   2.911   3.653
  110    HA   LYS  18           HA       LYS  18   7.378   0.810   5.694
  111    HB2  LYS  18           1HB      LYS  18   5.259   2.762   4.782
  112    HB3  LYS  18           2HB      LYS  18   5.287   1.862   6.298
  113    HG2  LYS  18           1HG      LYS  18   7.250   3.993   5.460
  114    HG3  LYS  18           2HG      LYS  18   5.870   4.266   6.515
  115    HD2  LYS  18           1HD      LYS  18   6.914   3.355   8.322
  116    HD3  LYS  18           2HD      LYS  18   7.797   2.149   7.363
  117    HE2  LYS  18           1HE      LYS  18   9.288   3.928   8.325
  118    HE3  LYS  18           2HE      LYS  18   9.356   3.806   6.556
  119    HZ1  LYS  18           3HZ      LYS  18   9.209   6.102   7.218
  120    HZ2  LYS  18           1HZ      LYS  18   7.819   5.842   8.068
  121    HZ3  LYS  18           2HZ      LYS  18   7.821   5.696   6.422
  122    H    THR  19           H        THR  19   6.171  -0.967   5.684
  123    HA   THR  19           HA       THR  19   5.020  -1.898   3.146
  124    HB   THR  19           HB       THR  19   5.143  -3.179   5.927
  125    HG1  THR  19           1HG      THR  19   6.955  -4.156   5.201
  126   HG21  THR  19          1HG2      THR  19   3.354  -4.209   4.675
  127   HG22  THR  19          2HG2      THR  19   4.752  -5.297   4.630
  128   HG23  THR  19          3HG2      THR  19   4.361  -4.296   3.210
  129    H    TYR  20           H        TYR  20   2.907  -1.764   2.638
  130    HA   TYR  20           HA       TYR  20   0.974  -1.194   4.858
  131    HB2  TYR  20           1HB      TYR  20   0.894  -0.378   1.937
  132    HB3  TYR  20           2HB      TYR  20  -0.436  -0.161   3.082
  133    HD1  TYR  20           1HD      TYR  20  -0.224   1.443   4.979
  134    HD2  TYR  20           2HD      TYR  20   2.896   1.037   2.049
  135    HE1  TYR  20           1HE      TYR  20   0.814   3.553   5.788
  136    HE2  TYR  20           2HE      TYR  20   3.923   3.159   2.859
  137    HH   TYR  20           HH       TYR  20   2.536   5.035   5.555
  138    H    SER  21           H        SER  21  -0.763  -2.553   5.026
  139    HA   SER  21           HA       SER  21  -0.427  -5.170   3.915
  140    HB2  SER  21           1HB      SER  21  -2.809  -5.417   4.966
  141    HB3  SER  21           2HB      SER  21  -1.423  -5.084   6.032
  142    HG   SER  21           HG       SER  21  -3.106  -3.674   6.532
  143    H    ASN  22           H        ASN  22  -3.012  -2.736   3.416
  144    HA   ASN  22           HA       ASN  22  -3.583  -4.081   0.808
  145    HB2  ASN  22           1HB      ASN  22  -5.469  -2.153   2.128
  146    HB3  ASN  22           2HB      ASN  22  -5.783  -3.290   0.818
  147   HD21  ASN  22          2HD2      ASN  22  -7.142  -2.912   3.411
  148   HD22  ASN  22          1HD2      ASN  22  -7.092  -4.481   4.175
  149    H    LEU  23           H        LEU  23  -4.167  -2.576  -0.944
  150    HA   LEU  23           HA       LEU  23  -2.228  -0.464  -1.209
  151    HB2  LEU  23           1HB      LEU  23  -3.237  -1.804  -3.058
  152    HB3  LEU  23           2HB      LEU  23  -4.777  -1.010  -2.775
  153    HG   LEU  23           HG       LEU  23  -3.833   1.141  -3.486
  154   HD11  LEU  23          1HD1      LEU  23  -1.490   0.888  -2.849
  155   HD12  LEU  23          2HD1      LEU  23  -1.596   1.192  -4.592
  156   HD13  LEU  23          3HD1      LEU  23  -1.291  -0.458  -3.997
  157   HD21  LEU  23          3HD2      LEU  23  -4.881  -0.409  -5.117
  158   HD22  LEU  23          1HD2      LEU  23  -3.292  -1.133  -5.444
  159   HD23  LEU  23          2HD2      LEU  23  -3.605   0.570  -5.864
  160    H    CYS  24           H        CYS  24  -5.651  -0.492  -0.094
  161    HA   CYS  24           HA       CYS  24  -5.925   2.356  -0.299
  162    HB2  CYS  24           1HB      CYS  24  -7.321   0.345   1.471
  163    HB3  CYS  24           2HB      CYS  24  -7.691   2.067   1.481
  164    H    TRP  25           H        TRP  25  -4.251   0.408   2.113
  165    HA   TRP  25           HA       TRP  25  -4.204   2.606   4.030
  166    HB2  TRP  25           1HB      TRP  25  -2.515   0.093   3.818
  167    HB3  TRP  25           2HB      TRP  25  -2.456   1.252   5.154
  168    HD1  TRP  25           HD       TRP  25  -4.120  -1.873   4.263
  169    HE1  TRP  25           1HE      TRP  25  -6.150  -2.375   5.700
  170    HE3  TRP  25           3HE      TRP  25  -4.650   2.764   6.342
  171    HZ2  TRP  25           2HZ      TRP  25  -7.833  -0.940   7.502
  172    HZ3  TRP  25           3HZ      TRP  25  -6.539   3.151   7.933
  173    HH2  TRP  25           HH       TRP  25  -8.117   1.305   8.496
  174    H    LEU  26           H        LEU  26  -2.172   1.431   1.380
  175    HA   LEU  26           HA       LEU  26   0.032   3.243   1.766
  176    HB2  LEU  26           1HB      LEU  26   0.069   1.251   0.334
  177    HB3  LEU  26           2HB      LEU  26  -1.137   1.941  -0.712
  178    HG   LEU  26           HG       LEU  26   1.166   1.816  -1.605
  179   HD11  LEU  26          1HD1      LEU  26   0.091   4.642  -1.583
  180   HD12  LEU  26          2HD1      LEU  26  -0.587   3.316  -2.559
  181   HD13  LEU  26          3HD1      LEU  26   1.081   3.864  -2.828
  182   HD21  LEU  26          3HD2      LEU  26   2.391   2.460   0.350
  183   HD22  LEU  26          1HD2      LEU  26   1.701   4.098   0.275
  184   HD23  LEU  26          2HD2      LEU  26   2.772   3.519  -1.019
  185    H    ASN  27           H        ASN  27  -3.016   3.379  -0.077
  186    HA   ASN  27           HA       ASN  27  -2.629   5.939  -1.236
  187    HB2  ASN  27           1HB      ASN  27  -4.426   4.029  -1.599
  188    HB3  ASN  27           2HB      ASN  27  -5.366   4.957  -0.424
  189   HD21  ASN  27          2HD2      ASN  27  -4.626   7.582  -1.164
  190   HD22  ASN  27          1HD2      ASN  27  -5.257   7.869  -2.771
  191    H    GLU  28           H        GLU  28  -4.137   4.995   1.884
  192    HA   GLU  28           HA       GLU  28  -5.060   7.641   2.538
  193    HB2  GLU  28           1HB      GLU  28  -4.488   5.139   4.136
  194    HB3  GLU  28           2HB      GLU  28  -4.980   6.640   4.931
  195    HG2  GLU  28           1HG      GLU  28  -7.092   6.656   3.866
  196    HG3  GLU  28           2HG      GLU  28  -6.600   5.439   2.683
  197    H    ALA  29           H        ALA  29  -1.974   5.952   3.054
  198    HA   ALA  29           HA       ALA  29  -0.942   8.018   4.822
  199    HB1  ALA  29           3HB      ALA  29   1.206   6.816   4.482
  200    HB2  ALA  29           1HB      ALA  29  -0.123   5.736   4.966
  201    HB3  ALA  29           2HB      ALA  29   0.411   5.781   3.270
  202    H    GLY  30           H        GLY  30  -1.304   7.675   1.394
  203    HA2  GLY  30           1HA      GLY  30  -0.963   9.286  -0.215
  204    HA3  GLY  30           2HA      GLY  30  -0.271  10.345   1.015
  205    H    VAL  31           H        VAL  31   1.358   7.354   0.987
  206    HA   VAL  31           HA       VAL  31   3.704   8.645  -0.101
  207    HB   VAL  31           HB       VAL  31   3.749   5.682   0.198
  208   HG11  VAL  31          1HG1      VAL  31   5.498   7.906   1.332
  209   HG12  VAL  31          2HG1      VAL  31   5.874   6.171   1.304
  210   HG13  VAL  31          3HG1      VAL  31   5.765   7.071  -0.220
  211   HG21  VAL  31          3HG2      VAL  31   2.303   6.031   2.051
  212   HG22  VAL  31          1HG2      VAL  31   3.936   5.866   2.712
  213   HG23  VAL  31          2HG2      VAL  31   3.203   7.481   2.583
  214    H    GLY  32           H        GLY  32   4.639   8.271  -2.012
  215    HA2  GLY  32           1HA      GLY  32   3.065   7.174  -4.173
  216    HA3  GLY  32           2HA      GLY  32   4.784   7.640  -4.260
  217    H    LEU  33           H        LEU  33   3.385   5.189  -5.253
  218    HA   LEU  33           HA       LEU  33   4.179   2.965  -3.588
  219    HB2  LEU  33           1HB      LEU  33   2.418   2.873  -5.344
  220    HB3  LEU  33           2HB      LEU  33   3.641   3.182  -6.573
  221    HG   LEU  33           HG       LEU  33   4.712   1.002  -6.025
  222   HD11  LEU  33          1HD1      LEU  33   3.376  -0.634  -4.716
  223   HD12  LEU  33          2HD1      LEU  33   2.269   0.677  -4.247
  224   HD13  LEU  33          3HD1      LEU  33   3.970   0.707  -3.726
  225   HD21  LEU  33          3HD2      LEU  33   3.107   1.218  -7.877
  226   HD22  LEU  33          1HD2      LEU  33   1.761   0.873  -6.763
  227   HD23  LEU  33          2HD2      LEU  33   2.982  -0.375  -7.105
  228    H    ASP  34           H        ASP  34   6.084   1.746  -3.659
  229    HA   ASP  34           HA       ASP  34   8.094   2.586  -5.712
  230    HB2  ASP  34           1HB      ASP  34   8.526   3.333  -3.273
  231    HB3  ASP  34           2HB      ASP  34   8.937   1.647  -2.970
  232    H    HIS  35           H        HIS  35   7.392   0.016  -3.278
  233    HA   HIS  35           HA       HIS  35   8.228  -1.953  -5.380
  234    HB2  HIS  35           1HB      HIS  35   8.114  -2.596  -2.444
  235    HB3  HIS  35           2HB      HIS  35   8.999  -3.422  -3.715
  236    HD1  HIS  35           1HD      HIS  35  11.190  -2.062  -4.663
  237    HD2  HIS  35           2HD      HIS  35   9.543  -0.662  -1.088
  238    HE1  HIS  35           1HE      HIS  35  12.956  -0.597  -3.567
  239    H    GLU  36           H        GLU  36   6.949  -3.866  -5.571
  240    HA   GLU  36           HA       GLU  36   4.220  -3.664  -4.350
  241    HB2  GLU  36           1HB      GLU  36   5.259  -5.298  -6.708
  242    HB3  GLU  36           2HB      GLU  36   3.636  -5.437  -6.015
  243    HG2  GLU  36           1HG      GLU  36   3.205  -3.058  -6.593
  244    HG3  GLU  36           2HG      GLU  36   4.806  -2.963  -7.342
  245    H    GLY  37           H        GLY  37   3.638  -5.453  -3.013
  246    HA2  GLY  37           1HA      GLY  37   4.111  -7.447  -1.833
  247    HA3  GLY  37           2HA      GLY  37   5.772  -7.447  -2.468
  248    H    GLU  38           H        GLU  38   5.545  -7.856   0.170
  249    HA   GLU  38           HA       GLU  38   5.474  -5.425   1.729
  250    HB2  GLU  38           1HB      GLU  38   6.606  -8.162   2.398
  251    HB3  GLU  38           2HB      GLU  38   6.268  -6.879   3.556
  252    HG2  GLU  38           1HG      GLU  38   3.851  -7.001   2.933
  253    HG3  GLU  38           2HG      GLU  38   4.222  -8.362   1.866
  254    H    CYS  39           H        CYS  39   7.229  -4.612   3.043
  255    HA   CYS  39           HA       CYS  39   9.965  -4.961   1.856
  256    HB2  CYS  39           1HB      CYS  39   8.575  -2.637   3.216
  257    HB3  CYS  39           2HB      CYS  39  10.321  -2.823   3.362
  258    H    LEU  40           H        LEU  40  11.663  -4.870   3.576
  259    HA   LEU  40           HA       LEU  40  10.830  -5.574   6.313
  260    HB2  LEU  40           1HB      LEU  40  11.036  -7.765   5.124
  261    HB3  LEU  40           2HB      LEU  40  12.633  -7.288   4.548
  262    HG   LEU  40           HG       LEU  40  13.478  -7.277   6.870
  263   HD11  LEU  40          1HD1      LEU  40  10.681  -8.271   7.549
  264   HD12  LEU  40          2HD1      LEU  40  11.462  -6.776   8.123
  265   HD13  LEU  40          3HD1      LEU  40  12.082  -8.352   8.647
  266   HD21  LEU  40          3HD2      LEU  40  12.080  -9.847   6.034
  267   HD22  LEU  40          1HD2      LEU  40  13.456  -9.717   7.157
  268   HD23  LEU  40          2HD2      LEU  40  13.663  -9.276   5.451
  Start of MODEL   10
    1    H1   GLU   1           1H       GLU   1 -11.755  12.722  -8.544
    2    H2   GLU   1           2H       GLU   1 -12.959  12.514  -7.433
    3    H3   GLU   1           3H       GLU   1 -11.528  13.198  -6.983
    4    HA   GLU   1           HA       GLU   1 -11.852  10.427  -7.928
    5    HB2  GLU   1           1HB      GLU   1  -9.586  10.063  -7.514
    6    HB3  GLU   1           2HB      GLU   1  -9.612  11.619  -8.330
    7    HG2  GLU   1           1HG      GLU   1  -9.335  11.266  -5.292
    8    HG3  GLU   1           2HG      GLU   1  -7.977  11.450  -6.404
    9    H    ALA   2           H        ALA   2 -11.547   8.780  -6.217
   10    HA   ALA   2           HA       ALA   2 -11.817   9.693  -3.439
   11    HB1  ALA   2           3HB      ALA   2 -13.993   8.033  -4.829
   12    HB2  ALA   2           1HB      ALA   2 -13.906   8.378  -3.086
   13    HB3  ALA   2           2HB      ALA   2 -14.190   9.703  -4.236
   14    H    ALA   3           H        ALA   3 -11.789   7.611  -2.050
   15    HA   ALA   3           HA       ALA   3  -9.782   5.788  -3.133
   16    HB1  ALA   3           3HB      ALA   3  -9.961   4.710  -0.897
   17    HB2  ALA   3           1HB      ALA   3  -9.723   6.466  -0.751
   18    HB3  ALA   3           2HB      ALA   3 -11.339   5.758  -0.500
   19    H    VAL   4           H        VAL   4 -10.527   4.473  -4.704
   20    HA   VAL   4           HA       VAL   4 -13.138   3.083  -4.303
   21    HB   VAL   4           HB       VAL   4 -13.019   2.601  -6.750
   22   HG11  VAL   4          1HG1      VAL   4 -14.190   4.627  -5.894
   23   HG12  VAL   4          2HG1      VAL   4 -12.695   5.567  -6.106
   24   HG13  VAL   4          3HG1      VAL   4 -13.519   4.871  -7.519
   25   HG21  VAL   4          3HG2      VAL   4 -10.558   4.424  -6.756
   26   HG22  VAL   4          1HG2      VAL   4 -10.522   2.657  -6.993
   27   HG23  VAL   4          2HG2      VAL   4 -11.344   3.695  -8.171
   28    H    CYS   5           H        CYS   5  -9.982   2.598  -3.657
   29    HA   CYS   5           HA       CYS   5  -9.689  -0.101  -4.747
   30    HB2  CYS   5           1HB      CYS   5  -7.642   0.070  -3.072
   31    HB3  CYS   5           2HB      CYS   5  -7.634   0.886  -4.638
   32    H    THR   6           H        THR   6  -9.442  -2.000  -3.438
   33    HA   THR   6           HA       THR   6 -11.333  -2.004  -1.187
   34    HB   THR   6           HB       THR   6 -11.122  -4.488  -1.517
   35    HG1  THR   6           1HG      THR   6  -9.985  -5.046  -3.536
   36   HG21  THR   6          1HG2      THR   6 -12.281  -4.600  -3.644
   37   HG22  THR   6          2HG2      THR   6 -11.642  -3.013  -4.125
   38   HG23  THR   6          3HG2      THR   6 -12.815  -3.135  -2.791
   39    H    THR   7           H        THR   7 -10.804  -3.677   0.563
   40    HA   THR   7           HA       THR   7  -8.106  -3.157   1.633
   41    HB   THR   7           HB       THR   7  -9.098  -4.280   3.695
   42    HG1  THR   7           1HG      THR   7 -11.284  -4.706   3.639
   43   HG21  THR   7          1HG2      THR   7  -9.102  -1.799   3.427
   44   HG22  THR   7          2HG2      THR   7 -10.526  -2.388   4.311
   45   HG23  THR   7          3HG2      THR   7 -10.679  -1.908   2.607
   46    H    GLU   8           H        GLU   8  -8.847  -4.994  -0.612
   47    HA   GLU   8           HA       GLU   8  -8.415  -7.719   0.200
   48    HB2  GLU   8           1HB      GLU   8  -9.373  -7.025  -1.987
   49    HB3  GLU   8           2HB      GLU   8  -7.831  -6.280  -2.421
   50    HG2  GLU   8           1HG      GLU   8  -6.742  -8.494  -2.359
   51    HG3  GLU   8           2HG      GLU   8  -8.294  -9.241  -1.945
   52    H    TRP   9           H        TRP   9  -6.529  -8.716   0.762
   53    HA   TRP   9           HA       TRP   9  -4.188  -7.346   1.435
   54    HB2  TRP   9           1HB      TRP   9  -4.701  -9.576   2.260
   55    HB3  TRP   9           2HB      TRP   9  -4.593 -10.249   0.630
   56    HD1  TRP   9           HD       TRP   9  -2.283 -11.266  -0.003
   57    HE1  TRP   9           1HE      TRP   9   0.067 -11.290   0.926
   58    HE3  TRP   9           3HE      TRP   9  -2.934  -7.714   3.620
   59    HZ2  TRP   9           2HZ      TRP   9   1.536  -9.901   2.936
   60    HZ3  TRP   9           3HZ      TRP   9  -0.953  -7.056   4.989
   61    HH2  TRP   9           HH       TRP   9   1.256  -8.154   4.655
   62    H    ASP  10           H        ASP  10  -3.143  -6.072   0.126
   63    HA   ASP  10           HA       ASP  10  -1.964  -7.192  -2.352
   64    HB2  ASP  10           1HB      ASP  10  -3.994  -5.849  -2.959
   65    HB3  ASP  10           2HB      ASP  10  -3.291  -4.472  -2.114
   66    HA   PRO  11           HA       PRO  11   0.645  -5.066   0.770
   67    HB2  PRO  11           1HB      PRO  11   2.866  -6.717   0.612
   68    HB3  PRO  11           2HB      PRO  11   1.468  -7.001   1.694
   69    HG2  PRO  11           1HG      PRO  11   2.008  -8.189  -1.016
   70    HG3  PRO  11           2HG      PRO  11   1.515  -8.992   0.489
   71    HD2  PRO  11           1HD      PRO  11  -0.284  -8.393  -1.396
   72    HD3  PRO  11           2HD      PRO  11  -0.668  -8.150   0.350
   73    H    VAL  12           H        VAL  12   1.871  -3.425   0.395
   74    HA   VAL  12           HA       VAL  12   3.663  -3.369  -1.977
   75    HB   VAL  12           HB       VAL  12   2.856  -1.025  -2.437
   76   HG11  VAL  12          1HG1      VAL  12   0.939  -1.679  -3.790
   77   HG12  VAL  12          2HG1      VAL  12   2.158  -2.963  -3.840
   78   HG13  VAL  12          3HG1      VAL  12   0.712  -3.150  -2.825
   79   HG21  VAL  12          3HG2      VAL  12   0.680  -0.299  -1.642
   80   HG22  VAL  12          1HG2      VAL  12   0.451  -1.814  -0.742
   81   HG23  VAL  12          2HG2      VAL  12   1.711  -0.657  -0.248
   82    H    CYS  13           H        CYS  13   5.184  -1.528  -1.776
   83    HA   CYS  13           HA       CYS  13   5.576  -0.736   1.082
   84    HB2  CYS  13           1HB      CYS  13   6.973  -2.699   0.367
   85    HB3  CYS  13           2HB      CYS  13   7.695  -1.661  -0.862
   86    H    GLY  14           H        GLY  14   5.827   1.387   1.315
   87    HA2  GLY  14           1HA      GLY  14   5.810   3.058  -1.081
   88    HA3  GLY  14           2HA      GLY  14   5.728   3.602   0.599
   89    H    LYS  15           H        LYS  15   7.177   5.182  -0.855
   90    HA   LYS  15           HA       LYS  15   9.944   4.477  -1.225
   91    HB2  LYS  15           1HB      LYS  15   8.526   7.131  -0.824
   92    HB3  LYS  15           2HB      LYS  15  10.262   6.997  -1.136
   93    HG2  LYS  15           1HG      LYS  15   9.783   5.816  -3.253
   94    HG3  LYS  15           2HG      LYS  15   8.056   6.020  -2.973
   95    HD2  LYS  15           1HD      LYS  15   8.343   8.466  -2.989
   96    HD3  LYS  15           2HD      LYS  15  10.086   8.248  -3.273
   97    HE2  LYS  15           1HE      LYS  15   9.569   7.011  -5.370
   98    HE3  LYS  15           2HE      LYS  15   7.839   7.301  -5.101
   99    HZ1  LYS  15           3HZ      LYS  15   8.785   8.932  -6.610
  100    HZ2  LYS  15           1HZ      LYS  15   9.896   9.404  -5.485
  101    HZ3  LYS  15           2HZ      LYS  15   8.291   9.684  -5.227
  102    H    ASP  16           H        ASP  16   8.113   5.357   1.586
  103    HA   ASP  16           HA       ASP  16  10.338   6.117   3.256
  104    HB2  ASP  16           1HB      ASP  16   7.571   5.045   3.953
  105    HB3  ASP  16           2HB      ASP  16   8.704   5.765   5.108
  106    H    GLY  17           H        GLY  17   9.583   3.177   1.843
  107    HA2  GLY  17           1HA      GLY  17  10.568   1.112   2.185
  108    HA3  GLY  17           2HA      GLY  17  11.349   1.735   3.648
  109    H    LYS  18           H        LYS  18   8.025   2.398   3.736
  110    HA   LYS  18           HA       LYS  18   7.715   0.110   5.600
  111    HB2  LYS  18           1HB      LYS  18   6.049   2.636   5.438
  112    HB3  LYS  18           2HB      LYS  18   5.929   1.369   6.656
  113    HG2  LYS  18           1HG      LYS  18   8.108   3.450   6.299
  114    HG3  LYS  18           2HG      LYS  18   7.130   3.117   7.726
  115    HD2  LYS  18           1HD      LYS  18   9.418   1.391   6.641
  116    HD3  LYS  18           2HD      LYS  18   9.478   2.410   8.071
  117    HE2  LYS  18           1HE      LYS  18   8.044   0.946   9.313
  118    HE3  LYS  18           2HE      LYS  18   7.522   0.088   7.851
  119    HZ1  LYS  18           3HZ      LYS  18   9.156  -1.243   9.032
  120    HZ2  LYS  18           1HZ      LYS  18  10.262  -0.019   9.006
  121    HZ3  LYS  18           2HZ      LYS  18   9.812  -0.758   7.604
  122    H    THR  19           H        THR  19   6.107  -1.252   5.628
  123    HA   THR  19           HA       THR  19   4.840  -1.795   3.069
  124    HB   THR  19           HB       THR  19   4.702  -3.245   5.747
  125    HG1  THR  19           1HG      THR  19   6.455  -4.382   4.998
  126   HG21  THR  19          1HG2      THR  19   4.108  -4.154   2.905
  127   HG22  THR  19          2HG2      THR  19   2.941  -4.002   4.241
  128   HG23  THR  19          3HG2      THR  19   4.219  -5.223   4.325
  129    H    TYR  20           H        TYR  20   2.777  -1.543   2.531
  130    HA   TYR  20           HA       TYR  20   0.807  -0.978   4.710
  131    HB2  TYR  20           1HB      TYR  20   0.917  -0.014   1.844
  132    HB3  TYR  20           2HB      TYR  20  -0.519   0.122   2.867
  133    HD1  TYR  20           2HD      TYR  20   3.051   1.251   2.519
  134    HD2  TYR  20           1HD      TYR  20  -0.677   1.803   4.594
  135    HE1  TYR  20           2HE      TYR  20   3.921   3.351   3.539
  136    HE2  TYR  20           1HE      TYR  20   0.205   3.897   5.609
  137    HH   TYR  20           HH       TYR  20   3.473   5.131   4.945
  138    H    SER  21           H        SER  21  -0.937  -2.348   4.795
  139    HA   SER  21           HA       SER  21  -0.588  -4.925   3.728
  140    HB2  SER  21           1HB      SER  21  -3.242  -3.765   4.634
  141    HB3  SER  21           2HB      SER  21  -2.675  -5.443   4.776
  142    HG   SER  21           HG       SER  21  -1.280  -4.828   6.362
  143    H    ASN  22           H        ASN  22  -3.087  -2.520   2.814
  144    HA   ASN  22           HA       ASN  22  -3.185  -3.828   0.144
  145    HB2  ASN  22           1HB      ASN  22  -5.393  -2.364  -0.019
  146    HB3  ASN  22           2HB      ASN  22  -5.411  -3.971   0.678
  147   HD21  ASN  22          2HD2      ASN  22  -6.475  -0.963   1.097
  148   HD22  ASN  22          1HD2      ASN  22  -6.747  -1.046   2.812
  149    H    LEU  23           H        LEU  23  -3.179  -2.482  -1.687
  150    HA   LEU  23           HA       LEU  23  -1.467  -0.231  -1.641
  151    HB2  LEU  23           1HB      LEU  23  -1.964  -1.576  -3.633
  152    HB3  LEU  23           2HB      LEU  23  -3.638  -1.037  -3.600
  153    HG   LEU  23           HG       LEU  23  -2.913   1.266  -4.137
  154   HD11  LEU  23          1HD1      LEU  23  -0.631   1.702  -4.922
  155   HD12  LEU  23          2HD1      LEU  23  -0.144   0.052  -4.488
  156   HD13  LEU  23          3HD1      LEU  23  -0.612   1.207  -3.221
  157   HD21  LEU  23          3HD2      LEU  23  -1.920  -0.898  -6.032
  158   HD22  LEU  23          1HD2      LEU  23  -2.314   0.781  -6.480
  159   HD23  LEU  23          2HD2      LEU  23  -3.591  -0.303  -5.894
  160    H    CYS  24           H        CYS  24  -4.937  -0.480  -1.065
  161    HA   CYS  24           HA       CYS  24  -5.557   2.248  -1.505
  162    HB2  CYS  24           1HB      CYS  24  -7.024   0.071  -0.898
  163    HB3  CYS  24           2HB      CYS  24  -6.978   0.837   0.697
  164    H    TRP  25           H        TRP  25  -4.173   0.656   1.434
  165    HA   TRP  25           HA       TRP  25  -4.472   3.095   2.990
  166    HB2  TRP  25           1HB      TRP  25  -2.595   0.746   3.402
  167    HB3  TRP  25           2HB      TRP  25  -2.868   2.061   4.547
  168    HD1  TRP  25           HD       TRP  25  -3.668  -1.303   4.461
  169    HE1  TRP  25           1HE      TRP  25  -5.875  -1.960   5.518
  170    HE3  TRP  25           3HE      TRP  25  -5.829   3.335   4.491
  171    HZ2  TRP  25           2HZ      TRP  25  -8.301  -0.656   6.263
  172    HZ3  TRP  25           3HZ      TRP  25  -8.143   3.567   5.399
  173    HH2  TRP  25           HH       TRP  25  -9.361   1.576   6.279
  174    H    LEU  26           H        LEU  26  -1.972   1.701   0.879
  175    HA   LEU  26           HA       LEU  26   0.098   3.573   1.538
  176    HB2  LEU  26           1HB      LEU  26   0.417   1.489   0.258
  177    HB3  LEU  26           2HB      LEU  26  -0.524   2.124  -1.060
  178    HG   LEU  26           HG       LEU  26   1.961   1.961  -1.372
  179   HD11  LEU  26          1HD1      LEU  26   2.119   3.914  -2.748
  180   HD12  LEU  26          2HD1      LEU  26   0.839   4.736  -1.843
  181   HD13  LEU  26          3HD1      LEU  26   0.453   3.310  -2.838
  182   HD21  LEU  26          3HD2      LEU  26   2.698   2.831   0.751
  183   HD22  LEU  26          1HD2      LEU  26   1.992   4.418   0.366
  184   HD23  LEU  26          2HD2      LEU  26   3.344   3.788  -0.595
  185    H    ASN  27           H        ASN  27  -2.528   3.601  -0.879
  186    HA   ASN  27           HA       ASN  27  -1.856   6.111  -2.057
  187    HB2  ASN  27           1HB      ASN  27  -3.399   4.468  -3.078
  188    HB3  ASN  27           2HB      ASN  27  -4.552   4.725  -1.761
  189   HD21  ASN  27          2HD2      ASN  27  -2.625   6.978  -3.768
  190   HD22  ASN  27          1HD2      ASN  27  -4.004   7.903  -4.301
  191    H    GLU  28           H        GLU  28  -4.005   5.299   0.691
  192    HA   GLU  28           HA       GLU  28  -4.956   8.001   1.020
  193    HB2  GLU  28           1HB      GLU  28  -4.904   5.559   2.806
  194    HB3  GLU  28           2HB      GLU  28  -5.592   7.102   3.335
  195    HG2  GLU  28           1HG      GLU  28  -7.284   7.049   1.661
  196    HG3  GLU  28           2HG      GLU  28  -6.489   5.734   0.789
  197    H    ALA  29           H        ALA  29  -2.130   6.249   2.255
  198    HA   ALA  29           HA       ALA  29  -1.463   8.285   4.216
  199    HB1  ALA  29           3HB      ALA  29  -0.709   5.980   4.492
  200    HB2  ALA  29           1HB      ALA  29   0.174   6.049   2.950
  201    HB3  ALA  29           2HB      ALA  29   0.700   7.053   4.325
  202    H    GLY  30           H        GLY  30  -1.088   7.976   0.781
  203    HA2  GLY  30           1HA      GLY  30  -0.425   9.645  -0.674
  204    HA3  GLY  30           2HA      GLY  30   0.108  10.622   0.695
  205    H    VAL  31           H        VAL  31   1.619   7.680   1.072
  206    HA   VAL  31           HA       VAL  31   4.164   8.746   0.327
  207    HB   VAL  31           HB       VAL  31   3.766   5.776   0.578
  208   HG11  VAL  31          1HG1      VAL  31   5.842   7.696   1.682
  209   HG12  VAL  31          2HG1      VAL  31   5.883   5.926   1.817
  210   HG13  VAL  31          3HG1      VAL  31   6.008   6.692   0.221
  211   HG21  VAL  31          3HG2      VAL  31   3.887   6.026   3.096
  212   HG22  VAL  31          1HG2      VAL  31   3.413   7.722   2.868
  213   HG23  VAL  31          2HG2      VAL  31   2.331   6.399   2.344
  214    H    GLY  32           H        GLY  32   5.293   8.454  -1.479
  215    HA2  GLY  32           1HA      GLY  32   3.990   7.557  -3.883
  216    HA3  GLY  32           2HA      GLY  32   5.732   7.882  -3.708
  217    H    LEU  33           H        LEU  33   4.122   5.578  -4.936
  218    HA   LEU  33           HA       LEU  33   4.694   3.250  -3.305
  219    HB2  LEU  33           1HB      LEU  33   2.950   3.343  -5.092
  220    HB3  LEU  33           2HB      LEU  33   4.217   3.557  -6.295
  221    HG   LEU  33           HG       LEU  33   5.086   1.286  -5.757
  222   HD11  LEU  33          1HD1      LEU  33   2.605   1.140  -4.005
  223   HD12  LEU  33          2HD1      LEU  33   4.297   1.039  -3.462
  224   HD13  LEU  33          3HD1      LEU  33   3.618  -0.245  -4.473
  225   HD21  LEU  33          3HD2      LEU  33   2.139   1.411  -6.513
  226   HD22  LEU  33          1HD2      LEU  33   3.256   0.070  -6.864
  227   HD23  LEU  33          2HD2      LEU  33   3.513   1.657  -7.617
  228    H    ASP  34           H        ASP  34   6.516   1.896  -3.402
  229    HA   ASP  34           HA       ASP  34   8.634   2.729  -5.343
  230    HB2  ASP  34           1HB      ASP  34   8.977   3.317  -2.832
  231    HB3  ASP  34           2HB      ASP  34   9.356   1.603  -2.644
  232    H    HIS  35           H        HIS  35   7.704   0.042  -3.102
  233    HA   HIS  35           HA       HIS  35   8.478  -1.816  -5.329
  234    HB2  HIS  35           1HB      HIS  35   8.225  -2.637  -2.439
  235    HB3  HIS  35           2HB      HIS  35   8.987  -3.513  -3.756
  236    HD1  HIS  35           1HD      HIS  35  10.243  -2.439  -0.875
  237    HD2  HIS  35           2HD      HIS  35  11.010  -1.008  -4.722
  238    HE1  HIS  35           1HE      HIS  35  12.489  -1.261  -0.771
  239    H    GLU  36           H        GLU  36   7.090  -3.569  -5.762
  240    HA   GLU  36           HA       GLU  36   4.388  -3.442  -4.470
  241    HB2  GLU  36           1HB      GLU  36   5.388  -4.933  -6.939
  242    HB3  GLU  36           2HB      GLU  36   3.786  -5.140  -6.213
  243    HG2  GLU  36           1HG      GLU  36   3.314  -2.729  -6.635
  244    HG3  GLU  36           2HG      GLU  36   4.881  -2.585  -7.444
  245    H    GLY  37           H        GLY  37   3.850  -5.392  -3.272
  246    HA2  GLY  37           1HA      GLY  37   4.462  -7.439  -2.226
  247    HA3  GLY  37           2HA      GLY  37   6.142  -7.234  -2.782
  248    H    GLU  38           H        GLU  38   5.701  -7.788  -0.126
  249    HA   GLU  38           HA       GLU  38   5.518  -5.231   1.325
  250    HB2  GLU  38           1HB      GLU  38   5.852  -6.983   3.298
  251    HB3  GLU  38           2HB      GLU  38   4.293  -6.695   2.530
  252    HG2  GLU  38           1HG      GLU  38   4.498  -8.702   1.190
  253    HG3  GLU  38           2HG      GLU  38   6.138  -8.975   1.784
  254    H    CYS  39           H        CYS  39   6.969  -4.553   2.900
  255    HA   CYS  39           HA       CYS  39   9.810  -5.460   2.567
  256    HB2  CYS  39           1HB      CYS  39   8.583  -2.831   3.521
  257    HB3  CYS  39           2HB      CYS  39  10.290  -3.231   3.692
  258    H    LEU  40           H        LEU  40  10.910  -4.867   4.861
  259    HA   LEU  40           HA       LEU  40   9.108  -5.728   7.077
  260    HB2  LEU  40           1HB      LEU  40  10.788  -7.471   6.260
  261    HB3  LEU  40           2HB      LEU  40  12.067  -6.370   6.729
  262    HG   LEU  40           HG       LEU  40  11.710  -8.267   8.268
  263   HD11  LEU  40          1HD1      LEU  40  11.885  -7.040  10.333
  264   HD12  LEU  40          2HD1      LEU  40  11.130  -5.605   9.599
  265   HD13  LEU  40          3HD1      LEU  40  12.731  -6.147   9.050
  266   HD21  LEU  40          3HD2      LEU  40   9.789  -8.375   9.730
  267   HD22  LEU  40          1HD2      LEU  40   9.231  -8.378   8.045
  268   HD23  LEU  40          2HD2      LEU  40   9.105  -6.895   9.020
  Start of MODEL   11
    1    H1   GLU   1           1H       GLU   1 -16.230  13.083   2.423
    2    H2   GLU   1           2H       GLU   1 -16.430  11.999   3.653
    3    H3   GLU   1           3H       GLU   1 -14.994  12.783   3.477
    4    HA   GLU   1           HA       GLU   1 -16.124  10.810   1.591
    5    HB2  GLU   1           1HB      GLU   1 -13.544  12.419   1.574
    6    HB3  GLU   1           2HB      GLU   1 -13.809  10.994   0.563
    7    HG2  GLU   1           1HG      GLU   1 -15.696  12.108  -0.551
    8    HG3  GLU   1           2HG      GLU   1 -15.457  13.543   0.462
    9    H    ALA   2           H        ALA   2 -14.741   8.833   1.459
   10    HA   ALA   2           HA       ALA   2 -12.921   8.332   3.700
   11    HB1  ALA   2           3HB      ALA   2 -15.148   7.800   4.722
   12    HB2  ALA   2           1HB      ALA   2 -15.522   6.741   3.337
   13    HB3  ALA   2           2HB      ALA   2 -14.199   6.321   4.448
   14    H    ALA   3           H        ALA   3 -11.967   6.072   3.249
   15    HA   ALA   3           HA       ALA   3 -11.372   5.844   0.443
   16    HB1  ALA   3           3HB      ALA   3  -9.767   5.198   2.227
   17    HB2  ALA   3           1HB      ALA   3 -10.862   3.879   2.723
   18    HB3  ALA   3           2HB      ALA   3 -10.093   3.847   1.119
   19    H    VAL   4           H        VAL   4 -12.067   4.345  -1.034
   20    HA   VAL   4           HA       VAL   4 -14.585   2.906  -0.361
   21    HB   VAL   4           HB       VAL   4 -15.059   2.989  -2.803
   22   HG11  VAL   4          1HG1      VAL   4 -14.421   5.734  -1.621
   23   HG12  VAL   4          2HG1      VAL   4 -15.575   5.383  -2.929
   24   HG13  VAL   4          3HG1      VAL   4 -15.885   4.780  -1.288
   25   HG21  VAL   4          3HG2      VAL   4 -13.689   4.355  -4.311
   26   HG22  VAL   4          1HG2      VAL   4 -12.556   4.742  -3.000
   27   HG23  VAL   4          2HG2      VAL   4 -12.688   3.073  -3.610
   28    H    CYS   5           H        CYS   5 -11.407   2.289  -0.535
   29    HA   CYS   5           HA       CYS   5 -11.401   0.081  -2.427
   30    HB2  CYS   5           1HB      CYS   5  -9.354   1.023  -0.381
   31    HB3  CYS   5           2HB      CYS   5  -9.052  -0.146  -1.679
   32    H    THR   6           H        THR   6 -11.285  -2.080  -2.033
   33    HA   THR   6           HA       THR   6 -12.516  -3.019   0.408
   34    HB   THR   6           HB       THR   6 -12.266  -5.247  -0.728
   35    HG1  THR   6           1HG      THR   6 -11.457  -5.075  -2.947
   36   HG21  THR   6          1HG2      THR   6 -14.201  -3.725  -1.243
   37   HG22  THR   6          2HG2      THR   6 -13.762  -4.806  -2.581
   38   HG23  THR   6          3HG2      THR   6 -13.279  -3.098  -2.629
   39    H    THR   7           H        THR   7 -11.620  -5.066   1.436
   40    HA   THR   7           HA       THR   7  -8.989  -4.494   2.518
   41    HB   THR   7           HB       THR   7  -9.517  -6.600   3.873
   42    HG1  THR   7           1HG      THR   7 -11.466  -7.554   3.524
   43   HG21  THR   7          1HG2      THR   7 -11.713  -4.483   3.827
   44   HG22  THR   7          2HG2      THR   7 -10.145  -4.306   4.652
   45   HG23  THR   7          3HG2      THR   7 -11.292  -5.555   5.179
   46    H    GLU   8           H        GLU   8  -9.160  -5.327  -0.351
   47    HA   GLU   8           HA       GLU   8  -8.252  -7.998  -0.721
   48    HB2  GLU   8           1HB      GLU   8  -9.008  -6.449  -2.533
   49    HB3  GLU   8           2HB      GLU   8  -7.552  -5.481  -2.284
   50    HG2  GLU   8           1HG      GLU   8  -6.175  -7.491  -2.907
   51    HG3  GLU   8           2HG      GLU   8  -7.679  -8.340  -3.298
   52    H    TRP   9           H        TRP   9  -6.336  -8.986  -0.298
   53    HA   TRP   9           HA       TRP   9  -4.162  -7.464   0.915
   54    HB2  TRP   9           1HB      TRP   9  -4.722  -9.759   1.643
   55    HB3  TRP   9           2HB      TRP   9  -4.345 -10.372   0.031
   56    HD1  TRP   9           HD       TRP   9  -1.995 -11.417  -0.095
   57    HE1  TRP   9           1HE      TRP   9   0.240 -11.197   1.068
   58    HE3  TRP   9           3HE      TRP   9  -3.192  -7.504   2.977
   59    HZ2  TRP   9           2HZ      TRP   9   1.410  -9.505   3.034
   60    HZ3  TRP   9           3HZ      TRP   9  -1.407  -6.579   4.457
   61    HH2  TRP   9           HH       TRP   9   0.869  -7.589   4.495
   62    H    ASP  10           H        ASP  10  -3.151  -6.100  -0.447
   63    HA   ASP  10           HA       ASP  10  -1.787  -7.335  -2.818
   64    HB2  ASP  10           1HB      ASP  10  -3.748  -6.108  -3.688
   65    HB3  ASP  10           2HB      ASP  10  -3.307  -4.682  -2.740
   66    HA   PRO  11           HA       PRO  11   0.534  -4.916   0.345
   67    HB2  PRO  11           1HB      PRO  11   2.756  -6.523   0.613
   68    HB3  PRO  11           2HB      PRO  11   1.227  -6.767   1.510
   69    HG2  PRO  11           1HG      PRO  11   2.154  -8.124  -1.004
   70    HG3  PRO  11           2HG      PRO  11   1.484  -8.835   0.474
   71    HD2  PRO  11           1HD      PRO  11  -0.059  -8.414  -1.672
   72    HD3  PRO  11           2HD      PRO  11  -0.683  -8.106  -0.008
   73    H    VAL  12           H        VAL  12   1.906  -3.353   0.064
   74    HA   VAL  12           HA       VAL  12   3.941  -3.491  -2.096
   75    HB   VAL  12           HB       VAL  12   3.338  -1.160  -2.765
   76   HG11  VAL  12          1HG1      VAL  12   2.572  -3.124  -4.101
   77   HG12  VAL  12          2HG1      VAL  12   1.042  -3.111  -3.195
   78   HG13  VAL  12          3HG1      VAL  12   1.477  -1.735  -4.228
   79   HG21  VAL  12          3HG2      VAL  12   0.758  -1.623  -1.216
   80   HG22  VAL  12          1HG2      VAL  12   2.075  -0.537  -0.710
   81   HG23  VAL  12          2HG2      VAL  12   1.177  -0.202  -2.197
   82    H    CYS  13           H        CYS  13   5.564  -1.735  -1.754
   83    HA   CYS  13           HA       CYS  13   5.650  -0.908   1.128
   84    HB2  CYS  13           1HB      CYS  13   7.246  -2.750   0.464
   85    HB3  CYS  13           2HB      CYS  13   7.967  -1.609  -0.671
   86    H    GLY  14           H        GLY  14   5.784   1.222   1.431
   87    HA2  GLY  14           1HA      GLY  14   6.058   2.931  -0.962
   88    HA3  GLY  14           2HA      GLY  14   5.606   3.446   0.670
   89    H    LYS  15           H        LYS  15   7.304   5.008  -0.657
   90    HA   LYS  15           HA       LYS  15  10.093   4.451  -0.224
   91    HB2  LYS  15           1HB      LYS  15   8.477   6.969  -0.667
   92    HB3  LYS  15           2HB      LYS  15  10.224   7.025  -0.369
   93    HG2  LYS  15           1HG      LYS  15  10.655   5.624  -2.264
   94    HG3  LYS  15           2HG      LYS  15   8.939   5.376  -2.563
   95    HD2  LYS  15           1HD      LYS  15   8.639   7.565  -3.336
   96    HD3  LYS  15           2HD      LYS  15  10.149   8.136  -2.599
   97    HE2  LYS  15           1HE      LYS  15  10.212   7.811  -5.131
   98    HE3  LYS  15           2HE      LYS  15  11.502   7.028  -4.204
   99    HZ1  LYS  15           3HZ      LYS  15  10.511   4.931  -4.491
  100    HZ2  LYS  15           1HZ      LYS  15  10.465   5.635  -5.979
  101    HZ3  LYS  15           2HZ      LYS  15   9.089   5.545  -5.072
  102    H    ASP  16           H        ASP  16   7.634   5.104   1.997
  103    HA   ASP  16           HA       ASP  16   9.231   6.366   4.074
  104    HB2  ASP  16           1HB      ASP  16   6.650   6.359   3.698
  105    HB3  ASP  16           2HB      ASP  16   6.682   4.754   4.434
  106    H    GLY  17           H        GLY  17   9.345   3.328   2.660
  107    HA2  GLY  17           1HA      GLY  17  10.583   1.473   3.292
  108    HA3  GLY  17           2HA      GLY  17  10.903   2.249   4.852
  109    H    LYS  18           H        LYS  18   7.588   2.050   3.926
  110    HA   LYS  18           HA       LYS  18   7.236  -0.169   5.900
  111    HB2  LYS  18           1HB      LYS  18   5.654   2.405   5.615
  112    HB3  LYS  18           2HB      LYS  18   5.232   1.084   6.717
  113    HG2  LYS  18           1HG      LYS  18   7.163   1.458   8.072
  114    HG3  LYS  18           2HG      LYS  18   7.940   2.433   6.822
  115    HD2  LYS  18           1HD      LYS  18   6.041   4.079   7.084
  116    HD3  LYS  18           2HD      LYS  18   5.629   3.224   8.582
  117    HE2  LYS  18           1HE      LYS  18   7.779   3.729   9.547
  118    HE3  LYS  18           2HE      LYS  18   8.443   4.212   7.973
  119    HZ1  LYS  18           3HZ      LYS  18   6.360   5.698   9.451
  120    HZ2  LYS  18           1HZ      LYS  18   6.961   6.108   7.967
  121    HZ3  LYS  18           2HZ      LYS  18   7.944   6.140   9.290
  122    H    THR  19           H        THR  19   5.586  -1.556   5.666
  123    HA   THR  19           HA       THR  19   4.586  -1.955   2.963
  124    HB   THR  19           HB       THR  19   4.032  -3.455   5.573
  125    HG1  THR  19           1HG      THR  19   6.045  -4.037   5.150
  126   HG21  THR  19          1HG2      THR  19   2.251  -3.934   3.967
  127   HG22  THR  19          2HG2      THR  19   3.351  -5.318   4.064
  128   HG23  THR  19          3HG2      THR  19   3.449  -4.208   2.676
  129    H    TYR  20           H        TYR  20   2.619  -1.551   2.174
  130    HA   TYR  20           HA       TYR  20   0.470  -0.701   4.090
  131    HB2  TYR  20           1HB      TYR  20   1.050   0.152   1.238
  132    HB3  TYR  20           2HB      TYR  20  -0.514   0.417   2.027
  133    HD1  TYR  20           2HD      TYR  20   3.133   1.273   2.205
  134    HD2  TYR  20           1HD      TYR  20  -0.819   2.149   3.662
  135    HE1  TYR  20           2HE      TYR  20   4.001   3.325   3.335
  136    HE2  TYR  20           1HE      TYR  20   0.059   4.196   4.789
  137    HH   TYR  20           HH       TYR  20   3.494   5.117   4.714
  138    H    SER  21           H        SER  21  -1.417  -1.867   3.946
  139    HA   SER  21           HA       SER  21  -1.123  -4.538   3.114
  140    HB2  SER  21           1HB      SER  21  -3.671  -4.591   3.512
  141    HB3  SER  21           2HB      SER  21  -2.619  -4.125   4.868
  142    HG   SER  21           HG       SER  21  -4.277  -2.639   4.736
  143    H    ASN  22           H        ASN  22  -3.255  -2.044   1.626
  144    HA   ASN  22           HA       ASN  22  -2.864  -3.521  -0.908
  145    HB2  ASN  22           1HB      ASN  22  -4.926  -2.556  -1.811
  146    HB3  ASN  22           2HB      ASN  22  -5.200  -3.632  -0.445
  147   HD21  ASN  22          2HD2      ASN  22  -7.121  -2.827   0.234
  148   HD22  ASN  22          1HD2      ASN  22  -7.282  -1.207   0.865
  149    H    LEU  23           H        LEU  23  -2.778  -2.121  -2.872
  150    HA   LEU  23           HA       LEU  23  -0.884   0.002  -2.576
  151    HB2  LEU  23           1HB      LEU  23  -1.154  -1.359  -4.609
  152    HB3  LEU  23           2HB      LEU  23  -2.770  -0.708  -4.842
  153    HG   LEU  23           HG       LEU  23  -1.817   1.530  -5.280
  154   HD11  LEU  23          1HD1      LEU  23   0.888   0.138  -5.184
  155   HD12  LEU  23          2HD1      LEU  23   0.305   1.346  -4.017
  156   HD13  LEU  23          3HD1      LEU  23   0.581   1.808  -5.705
  157   HD21  LEU  23          3HD2      LEU  23  -0.907   0.970  -7.496
  158   HD22  LEU  23          1HD2      LEU  23  -2.321  -0.029  -7.103
  159   HD23  LEU  23          2HD2      LEU  23  -0.686  -0.720  -6.982
  160    H    CYS  24           H        CYS  24  -4.377  -0.039  -2.385
  161    HA   CYS  24           HA       CYS  24  -4.836   2.710  -3.035
  162    HB2  CYS  24           1HB      CYS  24  -6.598   0.982  -2.925
  163    HB3  CYS  24           2HB      CYS  24  -6.395   0.886  -1.179
  164    H    TRP  25           H        TRP  25  -4.226   1.062   0.132
  165    HA   TRP  25           HA       TRP  25  -4.407   3.499   1.632
  166    HB2  TRP  25           1HB      TRP  25  -2.950   0.904   2.237
  167    HB3  TRP  25           2HB      TRP  25  -3.124   2.247   3.376
  168    HD1  TRP  25           HD       TRP  25  -4.691  -0.920   2.774
  169    HE1  TRP  25           1HE      TRP  25  -7.082  -1.081   3.619
  170    HE3  TRP  25           3HE      TRP  25  -5.550   4.085   3.397
  171    HZ2  TRP  25           2HZ      TRP  25  -9.136   0.724   4.425
  172    HZ3  TRP  25           3HZ      TRP  25  -7.793   4.818   4.227
  173    HH2  TRP  25           HH       TRP  25  -9.561   3.135   4.746
  174    H    LEU  26           H        LEU  26  -1.747   2.012  -0.178
  175    HA   LEU  26           HA       LEU  26   0.333   3.708   0.862
  176    HB2  LEU  26           1HB      LEU  26   0.725   1.683  -0.471
  177    HB3  LEU  26           2HB      LEU  26  -0.036   2.408  -1.855
  178    HG   LEU  26           HG       LEU  26   2.474   2.151  -1.869
  179   HD11  LEU  26          1HD1      LEU  26   1.177   3.528  -3.489
  180   HD12  LEU  26          2HD1      LEU  26   2.816   4.133  -3.186
  181   HD13  LEU  26          3HD1      LEU  26   1.431   4.941  -2.439
  182   HD21  LEU  26          3HD2      LEU  26   3.788   3.954  -0.911
  183   HD22  LEU  26          1HD2      LEU  26   2.966   3.010   0.347
  184   HD23  LEU  26          2HD2      LEU  26   2.346   4.611  -0.118
  185    H    ASN  27           H        ASN  27  -1.954   4.032  -1.874
  186    HA   ASN  27           HA       ASN  27  -1.034   6.611  -2.730
  187    HB2  ASN  27           1HB      ASN  27  -2.356   5.586  -4.327
  188    HB3  ASN  27           2HB      ASN  27  -3.481   4.926  -3.138
  189   HD21  ASN  27          2HD2      ASN  27  -2.624   7.742  -5.028
  190   HD22  ASN  27          1HD2      ASN  27  -4.127   8.595  -4.772
  191    H    GLU  28           H        GLU  28  -3.584   5.626  -0.415
  192    HA   GLU  28           HA       GLU  28  -4.604   8.272  -0.009
  193    HB2  GLU  28           1HB      GLU  28  -4.621   5.816   1.779
  194    HB3  GLU  28           2HB      GLU  28  -5.535   7.289   2.116
  195    HG2  GLU  28           1HG      GLU  28  -5.913   5.758  -0.474
  196    HG3  GLU  28           2HG      GLU  28  -6.776   5.319   1.003
  197    H    ALA  29           H        ALA  29  -1.878   6.520   1.419
  198    HA   ALA  29           HA       ALA  29  -1.460   8.496   3.521
  199    HB1  ALA  29           3HB      ALA  29  -0.758   6.197   3.852
  200    HB2  ALA  29           1HB      ALA  29   0.284   6.263   2.413
  201    HB3  ALA  29           2HB      ALA  29   0.677   7.249   3.844
  202    H    GLY  30           H        GLY  30  -0.761   8.343   0.144
  203    HA2  GLY  30           1HA      GLY  30   0.092  10.041  -1.162
  204    HA3  GLY  30           2HA      GLY  30   0.449  10.968   0.297
  205    H    VAL  31           H        VAL  31   1.805   7.784   0.216
  206    HA   VAL  31           HA       VAL  31   4.476   8.976  -0.049
  207    HB   VAL  31           HB       VAL  31   4.106   6.020   0.239
  208   HG11  VAL  31          1HG1      VAL  31   6.020   6.223   1.688
  209   HG12  VAL  31          2HG1      VAL  31   6.330   7.110   0.192
  210   HG13  VAL  31          3HG1      VAL  31   5.902   7.996   1.677
  211   HG21  VAL  31          3HG2      VAL  31   3.830   6.282   2.743
  212   HG22  VAL  31          1HG2      VAL  31   3.377   7.976   2.446
  213   HG23  VAL  31          2HG2      VAL  31   2.396   6.645   1.778
  214    H    GLY  32           H        GLY  32   5.902   8.334  -1.655
  215    HA2  GLY  32           1HA      GLY  32   4.701   7.449  -4.155
  216    HA3  GLY  32           2HA      GLY  32   6.434   7.743  -3.861
  217    H    LEU  33           H        LEU  33   4.913   5.417  -5.098
  218    HA   LEU  33           HA       LEU  33   5.263   3.147  -3.329
  219    HB2  LEU  33           1HB      LEU  33   3.769   3.158  -5.322
  220    HB3  LEU  33           2HB      LEU  33   5.172   3.383  -6.361
  221    HG   LEU  33           HG       LEU  33   6.007   1.140  -5.697
  222   HD11  LEU  33          1HD1      LEU  33   4.421  -0.401  -4.583
  223   HD12  LEU  33          2HD1      LEU  33   3.340   0.973  -4.254
  224   HD13  LEU  33          3HD1      LEU  33   4.957   0.903  -3.516
  225   HD21  LEU  33          3HD2      LEU  33   4.343  -0.123  -6.996
  226   HD22  LEU  33          1HD2      LEU  33   4.667   1.456  -7.737
  227   HD23  LEU  33          2HD2      LEU  33   3.171   1.203  -6.806
  228    H    ASP  34           H        ASP  34   7.096   1.807  -3.133
  229    HA   ASP  34           HA       ASP  34   9.448   2.635  -4.795
  230    HB2  ASP  34           1HB      ASP  34   9.400   3.136  -2.199
  231    HB3  ASP  34           2HB      ASP  34   9.820   1.429  -2.067
  232    H    HIS  35           H        HIS  35   8.268  -0.056  -2.703
  233    HA   HIS  35           HA       HIS  35   9.292  -1.898  -4.813
  234    HB2  HIS  35           1HB      HIS  35   8.835  -2.775  -1.993
  235    HB3  HIS  35           2HB      HIS  35   9.796  -3.540  -3.250
  236    HD1  HIS  35           1HD      HIS  35  12.011  -1.957  -4.020
  237    HD2  HIS  35           2HD      HIS  35  10.295  -1.244  -0.292
  238    HE1  HIS  35           1HE      HIS  35  13.713  -0.629  -2.676
  239    H    GLU  36           H        GLU  36   8.034  -3.751  -5.357
  240    HA   GLU  36           HA       GLU  36   5.146  -3.548  -4.597
  241    HB2  GLU  36           1HB      GLU  36   6.611  -5.240  -6.669
  242    HB3  GLU  36           2HB      GLU  36   4.888  -5.384  -6.290
  243    HG2  GLU  36           1HG      GLU  36   4.564  -3.016  -6.988
  244    HG3  GLU  36           2HG      GLU  36   6.268  -2.946  -7.465
  245    H    GLY  37           H        GLY  37   4.280  -5.331  -3.382
  246    HA2  GLY  37           1HA      GLY  37   4.466  -7.348  -2.176
  247    HA3  GLY  37           2HA      GLY  37   6.218  -7.377  -2.464
  248    H    GLU  38           H        GLU  38   5.354  -7.855   0.046
  249    HA   GLU  38           HA       GLU  38   5.240  -5.388   1.616
  250    HB2  GLU  38           1HB      GLU  38   5.536  -7.196   3.515
  251    HB3  GLU  38           2HB      GLU  38   3.998  -6.993   2.676
  252    HG2  GLU  38           1HG      GLU  38   4.494  -8.926   1.236
  253    HG3  GLU  38           2HG      GLU  38   6.049  -9.135   2.049
  254    H    CYS  39           H        CYS  39   6.798  -4.947   3.351
  255    HA   CYS  39           HA       CYS  39   9.556  -5.928   2.828
  256    HB2  CYS  39           1HB      CYS  39  10.377  -3.605   2.785
  257    HB3  CYS  39           2HB      CYS  39   9.250  -3.904   1.452
  258    H    LEU  40           H        LEU  40  11.062  -5.074   4.530
  259    HA   LEU  40           HA       LEU  40   9.940  -4.163   7.062
  260    HB2  LEU  40           1HB      LEU  40   9.597  -6.656   7.168
  261    HB3  LEU  40           2HB      LEU  40  11.294  -6.883   6.757
  262    HG   LEU  40           HG       LEU  40  11.963  -5.848   8.896
  263   HD11  LEU  40          1HD1      LEU  40  10.214  -5.504  10.653
  264   HD12  LEU  40          2HD1      LEU  40   8.964  -5.710   9.401
  265   HD13  LEU  40          3HD1      LEU  40  10.105  -4.347   9.315
  266   HD21  LEU  40          3HD2      LEU  40  11.227  -7.705  10.327
  267   HD22  LEU  40          1HD2      LEU  40  11.652  -8.278   8.702
  268   HD23  LEU  40          2HD2      LEU  40   9.940  -8.104   9.164
  Start of MODEL   12
    1    H1   GLU   1           1H       GLU   1 -20.405   8.185  -3.295
    2    H2   GLU   1           2H       GLU   1 -19.099   8.133  -2.291
    3    H3   GLU   1           3H       GLU   1 -19.033   9.023  -3.682
    4    HA   GLU   1           HA       GLU   1 -19.265   6.977  -5.005
    5    HB2  GLU   1           1HB      GLU   1 -16.956   7.221  -3.034
    6    HB3  GLU   1           2HB      GLU   1 -17.002   5.985  -4.288
    7    HG2  GLU   1           1HG      GLU   1 -15.689   7.609  -5.281
    8    HG3  GLU   1           2HG      GLU   1 -17.281   7.981  -5.955
    9    H    ALA   2           H        ALA   2 -19.619   4.699  -5.019
   10    HA   ALA   2           HA       ALA   2 -20.866   3.676  -2.615
   11    HB1  ALA   2           3HB      ALA   2 -21.621   3.004  -4.877
   12    HB2  ALA   2           1HB      ALA   2 -20.037   2.250  -5.192
   13    HB3  ALA   2           2HB      ALA   2 -21.105   1.589  -3.933
   14    H    ALA   3           H        ALA   3 -17.748   3.199  -4.253
   15    HA   ALA   3           HA       ALA   3 -16.467   2.374  -1.770
   16    HB1  ALA   3           3HB      ALA   3 -16.621   0.460  -4.168
   17    HB2  ALA   3           1HB      ALA   3 -15.595   0.235  -2.731
   18    HB3  ALA   3           2HB      ALA   3 -17.366   0.177  -2.575
   19    H    VAL   4           H        VAL   4 -14.077   2.283  -2.267
   20    HA   VAL   4           HA       VAL   4 -13.329   3.456  -4.869
   21    HB   VAL   4           HB       VAL   4 -11.656   4.991  -3.690
   22   HG11  VAL   4          1HG1      VAL   4 -13.724   5.820  -4.781
   23   HG12  VAL   4          2HG1      VAL   4 -14.598   5.629  -3.241
   24   HG13  VAL   4          3HG1      VAL   4 -13.260   6.797  -3.368
   25   HG21  VAL   4          3HG2      VAL   4 -13.481   4.495  -1.274
   26   HG22  VAL   4          1HG2      VAL   4 -11.777   3.991  -1.412
   27   HG23  VAL   4          2HG2      VAL   4 -12.190   5.710  -1.381
   28    H    CYS   5           H        CYS   5 -12.399   1.772  -1.988
   29    HA   CYS   5           HA       CYS   5  -9.910   0.849  -3.333
   30    HB2  CYS   5           1HB      CYS   5 -10.612   1.081  -0.391
   31    HB3  CYS   5           2HB      CYS   5  -9.149   0.315  -1.020
   32    H    THR   6           H        THR   6  -9.212  -1.318  -2.982
   33    HA   THR   6           HA       THR   6 -11.402  -3.285  -2.740
   34    HB   THR   6           HB       THR   6  -9.463  -4.860  -3.282
   35    HG1  THR   6           1HG      THR   6  -7.575  -3.780  -4.075
   36   HG21  THR   6          1HG2      THR   6 -10.962  -3.964  -5.059
   37   HG22  THR   6          2HG2      THR   6  -9.303  -4.229  -5.632
   38   HG23  THR   6          3HG2      THR   6  -9.856  -2.582  -5.257
   39    H    THR   7           H        THR   7 -11.188  -5.059  -1.185
   40    HA   THR   7           HA       THR   7  -9.787  -4.194   1.283
   41    HB   THR   7           HB       THR   7 -11.322  -5.855   2.410
   42    HG1  THR   7           1HG      THR   7 -12.927  -6.781   1.134
   43   HG21  THR   7          1HG2      THR   7 -12.820  -3.863   0.652
   44   HG22  THR   7          2HG2      THR   7 -11.989  -3.444   2.170
   45   HG23  THR   7          3HG2      THR   7 -13.371  -4.560   2.191
   46    H    GLU   8           H        GLU   8  -9.081  -5.758  -1.195
   47    HA   GLU   8           HA       GLU   8  -8.258  -8.366  -0.259
   48    HB2  GLU   8           1HB      GLU   8  -7.980  -6.826  -2.814
   49    HB3  GLU   8           2HB      GLU   8  -6.968  -8.252  -2.535
   50    HG2  GLU   8           1HG      GLU   8  -8.905  -8.982  -3.698
   51    HG3  GLU   8           2HG      GLU   8  -9.025  -9.573  -2.046
   52    H    TRP   9           H        TRP   9  -6.412  -9.101   0.403
   53    HA   TRP   9           HA       TRP   9  -4.370  -7.387   1.467
   54    HB2  TRP   9           1HB      TRP   9  -4.657  -9.609   2.367
   55    HB3  TRP   9           2HB      TRP   9  -4.483 -10.347   0.775
   56    HD1  TRP   9           HD       TRP   9  -2.135 -11.303   0.254
   57    HE1  TRP   9           1HE      TRP   9   0.202 -11.166   1.206
   58    HE3  TRP   9           3HE      TRP   9  -2.984  -7.555   3.632
   59    HZ2  TRP   9           2HZ      TRP   9   1.583  -9.592   3.136
   60    HZ3  TRP   9           3HZ      TRP   9  -1.054  -6.734   4.986
   61    HH2  TRP   9           HH       TRP   9   1.204  -7.753   4.746
   62    H    ASP  10           H        ASP  10  -3.175  -6.102   0.242
   63    HA   ASP  10           HA       ASP  10  -1.972  -7.180  -2.269
   64    HB2  ASP  10           1HB      ASP  10  -4.028  -5.865  -2.831
   65    HB3  ASP  10           2HB      ASP  10  -3.378  -4.495  -1.939
   66    HA   PRO  11           HA       PRO  11   0.645  -4.977   0.818
   67    HB2  PRO  11           1HB      PRO  11   2.879  -6.606   0.690
   68    HB3  PRO  11           2HB      PRO  11   1.484  -6.891   1.775
   69    HG2  PRO  11           1HG      PRO  11   2.043  -8.119  -0.913
   70    HG3  PRO  11           2HG      PRO  11   1.551  -8.902   0.604
   71    HD2  PRO  11           1HD      PRO  11  -0.236  -8.345  -1.311
   72    HD3  PRO  11           2HD      PRO  11  -0.643  -8.111   0.430
   73    H    VAL  12           H        VAL  12   1.840  -3.335   0.383
   74    HA   VAL  12           HA       VAL  12   3.627  -3.334  -1.993
   75    HB   VAL  12           HB       VAL  12   2.807  -0.998  -2.502
   76   HG11  VAL  12          1HG1      VAL  12   0.880  -1.689  -3.835
   77   HG12  VAL  12          2HG1      VAL  12   2.124  -2.953  -3.878
   78   HG13  VAL  12          3HG1      VAL  12   0.687  -3.153  -2.849
   79   HG21  VAL  12          3HG2      VAL  12   0.409  -1.771  -0.794
   80   HG22  VAL  12          1HG2      VAL  12   1.661  -0.592  -0.332
   81   HG23  VAL  12          2HG2      VAL  12   0.624  -0.276  -1.730
   82    H    CYS  13           H        CYS  13   5.213  -1.578  -1.788
   83    HA   CYS  13           HA       CYS  13   5.534  -0.677   1.044
   84    HB2  CYS  13           1HB      CYS  13   6.878  -2.693   0.574
   85    HB3  CYS  13           2HB      CYS  13   7.610  -1.863  -0.791
   86    H    GLY  14           H        GLY  14   5.836   1.420   1.224
   87    HA2  GLY  14           1HA      GLY  14   5.992   2.997  -1.233
   88    HA3  GLY  14           2HA      GLY  14   5.773   3.600   0.411
   89    H    LYS  15           H        LYS  15   7.275   5.101  -1.086
   90    HA   LYS  15           HA       LYS  15  10.097   4.467  -1.097
   91    HB2  LYS  15           1HB      LYS  15   8.570   7.090  -1.237
   92    HB3  LYS  15           2HB      LYS  15  10.333   6.971  -1.380
   93    HG2  LYS  15           1HG      LYS  15  10.055   5.437  -3.275
   94    HG3  LYS  15           2HG      LYS  15   8.317   5.634  -3.204
   95    HD2  LYS  15           1HD      LYS  15   8.564   8.034  -3.666
   96    HD3  LYS  15           2HD      LYS  15  10.330   7.840  -3.727
   97    HE2  LYS  15           1HE      LYS  15   8.345   6.390  -5.538
   98    HE3  LYS  15           2HE      LYS  15   9.263   7.840  -5.997
   99    HZ1  LYS  15           3HZ      LYS  15  10.302   5.753  -6.755
  100    HZ2  LYS  15           1HZ      LYS  15  10.513   5.263  -5.192
  101    HZ3  LYS  15           2HZ      LYS  15  11.301   6.598  -5.752
  102    H    ASP  16           H        ASP  16   7.997   5.257   1.459
  103    HA   ASP  16           HA       ASP  16  10.073   6.420   3.183
  104    HB2  ASP  16           1HB      ASP  16   8.361   6.399   4.908
  105    HB3  ASP  16           2HB      ASP  16   7.680   7.074   3.422
  106    H    GLY  17           H        GLY  17   9.588   3.370   1.973
  107    HA2  GLY  17           1HA      GLY  17  10.639   1.414   2.581
  108    HA3  GLY  17           2HA      GLY  17  11.252   2.209   4.036
  109    H    LYS  18           H        LYS  18   7.789   2.359   3.581
  110    HA   LYS  18           HA       LYS  18   7.569   0.241   5.683
  111    HB2  LYS  18           1HB      LYS  18   5.777   2.662   5.314
  112    HB3  LYS  18           2HB      LYS  18   5.679   1.461   6.606
  113    HG2  LYS  18           1HG      LYS  18   7.976   3.408   6.142
  114    HG3  LYS  18           2HG      LYS  18   6.741   3.550   7.396
  115    HD2  LYS  18           1HD      LYS  18   7.560   1.549   8.519
  116    HD3  LYS  18           2HD      LYS  18   8.666   1.199   7.181
  117    HE2  LYS  18           1HE      LYS  18   9.806   3.391   7.613
  118    HE3  LYS  18           2HE      LYS  18   8.836   3.526   9.102
  119    HZ1  LYS  18           3HZ      LYS  18  11.002   2.487   9.506
  120    HZ2  LYS  18           1HZ      LYS  18  10.668   1.281   8.432
  121    HZ3  LYS  18           2HZ      LYS  18   9.792   1.410   9.823
  122    H    THR  19           H        THR  19   5.994  -1.184   5.678
  123    HA   THR  19           HA       THR  19   4.837  -1.831   3.075
  124    HB   THR  19           HB       THR  19   4.683  -3.214   5.797
  125    HG1  THR  19           1HG      THR  19   6.428  -4.337   5.118
  126   HG21  THR  19          1HG2      THR  19   4.090  -5.219   4.462
  127   HG22  THR  19          2HG2      THR  19   3.986  -4.202   3.004
  128   HG23  THR  19          3HG2      THR  19   2.853  -3.957   4.356
  129    H    TYR  20           H        TYR  20   2.789  -1.556   2.482
  130    HA   TYR  20           HA       TYR  20   0.792  -0.808   4.590
  131    HB2  TYR  20           1HB      TYR  20   1.015   0.009   1.678
  132    HB3  TYR  20           2HB      TYR  20  -0.420   0.289   2.677
  133    HD1  TYR  20           2HD      TYR  20   3.149   1.226   2.171
  134    HD2  TYR  20           1HD      TYR  20  -0.413   1.920   4.467
  135    HE1  TYR  20           2HE      TYR  20   4.180   3.281   3.147
  136    HE2  TYR  20           1HE      TYR  20   0.614   3.980   5.435
  137    HH   TYR  20           HH       TYR  20   2.440   5.336   5.495
  138    H    SER  21           H        SER  21  -1.061  -2.027   4.633
  139    HA   SER  21           HA       SER  21  -0.778  -4.697   3.739
  140    HB2  SER  21           1HB      SER  21  -3.269  -4.806   4.422
  141    HB3  SER  21           2HB      SER  21  -2.086  -4.340   5.664
  142    HG   SER  21           HG       SER  21  -3.809  -2.901   5.714
  143    H    ASN  22           H        ASN  22  -3.112  -2.200   2.602
  144    HA   ASN  22           HA       ASN  22  -3.010  -3.591  -0.018
  145    HB2  ASN  22           1HB      ASN  22  -5.195  -2.659  -0.614
  146    HB3  ASN  22           2HB      ASN  22  -5.272  -3.769   0.753
  147   HD21  ASN  22          2HD2      ASN  22  -7.394  -2.596   0.920
  148   HD22  ASN  22          1HD2      ASN  22  -7.400  -1.154   1.908
  149    H    LEU  23           H        LEU  23  -3.341  -2.091  -1.901
  150    HA   LEU  23           HA       LEU  23  -1.454   0.051  -1.884
  151    HB2  LEU  23           1HB      LEU  23  -2.198  -1.259  -3.868
  152    HB3  LEU  23           2HB      LEU  23  -3.775  -0.487  -3.762
  153    HG   LEU  23           HG       LEU  23  -2.706   1.712  -4.248
  154   HD11  LEU  23          1HD1      LEU  23  -0.410   1.765  -5.149
  155   HD12  LEU  23          2HD1      LEU  23  -0.203   0.047  -4.746
  156   HD13  LEU  23          3HD1      LEU  23  -0.413   1.250  -3.453
  157   HD21  LEU  23          3HD2      LEU  23  -3.718   0.350  -6.019
  158   HD22  LEU  23          1HD2      LEU  23  -2.176  -0.504  -6.263
  159   HD23  LEU  23          2HD2      LEU  23  -2.305   1.233  -6.631
  160    H    CYS  24           H        CYS  24  -4.827  -0.091  -0.969
  161    HA   CYS  24           HA       CYS  24  -5.528   2.638  -1.364
  162    HB2  CYS  24           1HB      CYS  24  -7.072   0.724  -0.765
  163    HB3  CYS  24           2HB      CYS  24  -6.457   0.829   0.883
  164    H    TRP  25           H        TRP  25  -4.203   0.975   1.588
  165    HA   TRP  25           HA       TRP  25  -4.084   3.446   3.046
  166    HB2  TRP  25           1HB      TRP  25  -2.619   0.820   3.448
  167    HB3  TRP  25           2HB      TRP  25  -2.538   2.196   4.560
  168    HD1  TRP  25           HD       TRP  25  -4.416  -0.892   4.170
  169    HE1  TRP  25           1HE      TRP  25  -6.601  -0.913   5.468
  170    HE3  TRP  25           3HE      TRP  25  -4.690   4.119   5.160
  171    HZ2  TRP  25           2HZ      TRP  25  -8.286   0.997   6.752
  172    HZ3  TRP  25           3HZ      TRP  25  -6.655   4.979   6.449
  173    HH2  TRP  25           HH       TRP  25  -8.436   3.417   7.232
  174    H    LEU  26           H        LEU  26  -1.854   1.928   0.763
  175    HA   LEU  26           HA       LEU  26   0.417   3.591   1.395
  176    HB2  LEU  26           1HB      LEU  26   0.514   1.556   0.021
  177    HB3  LEU  26           2HB      LEU  26  -0.475   2.295  -1.202
  178    HG   LEU  26           HG       LEU  26   1.959   1.985  -1.712
  179   HD11  LEU  26          1HD1      LEU  26   0.988   4.841  -2.000
  180   HD12  LEU  26          2HD1      LEU  26   0.431   3.482  -3.003
  181   HD13  LEU  26          3HD1      LEU  26   2.136   3.974  -3.033
  182   HD21  LEU  26          3HD2      LEU  26   2.288   4.379   0.104
  183   HD22  LEU  26          1HD2      LEU  26   3.522   3.700  -0.976
  184   HD23  LEU  26          2HD2      LEU  26   2.914   2.738   0.386
  185    H    ASN  27           H        ASN  27  -2.336   3.922  -0.875
  186    HA   ASN  27           HA       ASN  27  -1.535   6.462  -1.925
  187    HB2  ASN  27           1HB      ASN  27  -3.160   5.011  -3.052
  188    HB3  ASN  27           2HB      ASN  27  -4.282   5.179  -1.696
  189   HD21  ASN  27          2HD2      ASN  27  -2.515   7.128  -4.099
  190   HD22  ASN  27          1HD2      ASN  27  -3.778   8.321  -4.270
  191    H    GLU  28           H        GLU  28  -3.729   5.606   0.795
  192    HA   GLU  28           HA       GLU  28  -4.524   8.312   1.316
  193    HB2  GLU  28           1HB      GLU  28  -4.359   5.896   3.156
  194    HB3  GLU  28           2HB      GLU  28  -5.100   7.438   3.598
  195    HG2  GLU  28           1HG      GLU  28  -6.023   5.583   1.382
  196    HG3  GLU  28           2HG      GLU  28  -6.817   5.841   2.935
  197    H    ALA  29           H        ALA  29  -1.684   6.434   2.308
  198    HA   ALA  29           HA       ALA  29  -0.831   8.426   4.255
  199    HB1  ALA  29           3HB      ALA  29  -0.190   6.105   4.525
  200    HB2  ALA  29           1HB      ALA  29   0.605   6.097   2.935
  201    HB3  ALA  29           2HB      ALA  29   1.269   7.091   4.257
  202    H    GLY  30           H        GLY  30  -0.769   8.242   0.829
  203    HA2  GLY  30           1HA      GLY  30  -0.042   9.841  -0.652
  204    HA3  GLY  30           2HA      GLY  30   0.538  10.801   0.711
  205    H    VAL  31           H        VAL  31   1.813   7.582   0.499
  206    HA   VAL  31           HA       VAL  31   4.437   8.760  -0.087
  207    HB   VAL  31           HB       VAL  31   4.135   5.799   0.221
  208   HG11  VAL  31          1HG1      VAL  31   6.038   7.823   1.452
  209   HG12  VAL  31          2HG1      VAL  31   6.189   6.051   1.485
  210   HG13  VAL  31          3HG1      VAL  31   6.325   6.916  -0.054
  211   HG21  VAL  31          3HG2      VAL  31   3.626   7.732   2.510
  212   HG22  VAL  31          1HG2      VAL  31   2.584   6.407   1.930
  213   HG23  VAL  31          2HG2      VAL  31   4.111   6.033   2.735
  214    H    GLY  32           H        GLY  32   5.586   8.351  -1.913
  215    HA2  GLY  32           1HA      GLY  32   4.199   7.361  -4.243
  216    HA3  GLY  32           2HA      GLY  32   5.948   7.694  -4.126
  217    H    LEU  33           H        LEU  33   4.370   5.321  -5.206
  218    HA   LEU  33           HA       LEU  33   4.927   3.092  -3.436
  219    HB2  LEU  33           1HB      LEU  33   3.195   3.049  -5.210
  220    HB3  LEU  33           2HB      LEU  33   4.438   3.274  -6.435
  221    HG   LEU  33           HG       LEU  33   5.378   1.047  -5.897
  222   HD11  LEU  33          1HD1      LEU  33   4.036  -0.511  -4.516
  223   HD12  LEU  33          2HD1      LEU  33   2.980   0.838  -4.039
  224   HD13  LEU  33          3HD1      LEU  33   4.691   0.825  -3.558
  225   HD21  LEU  33          3HD2      LEU  33   3.551  -0.253  -6.897
  226   HD22  LEU  33          1HD2      LEU  33   3.709   1.329  -7.687
  227   HD23  LEU  33          2HD2      LEU  33   2.398   1.049  -6.516
  228    H    ASP  34           H        ASP  34   6.741   1.675  -3.492
  229    HA   ASP  34           HA       ASP  34   8.779   2.353  -5.559
  230    HB2  ASP  34           1HB      ASP  34   9.281   3.153  -3.101
  231    HB3  ASP  34           2HB      ASP  34   9.766   1.467  -2.879
  232    H    HIS  35           H        HIS  35   7.900  -0.151  -3.083
  233    HA   HIS  35           HA       HIS  35   8.770  -2.129  -5.158
  234    HB2  HIS  35           1HB      HIS  35   8.581  -2.714  -2.213
  235    HB3  HIS  35           2HB      HIS  35   9.316  -3.696  -3.471
  236    HD1  HIS  35           1HD      HIS  35  11.526  -2.431  -4.674
  237    HD2  HIS  35           2HD      HIS  35  10.361  -1.143  -0.876
  238    HE1  HIS  35           1HE      HIS  35  13.502  -1.165  -3.698
  239    H    GLU  36           H        GLU  36   7.354  -3.739  -5.748
  240    HA   GLU  36           HA       GLU  36   4.602  -3.630  -4.635
  241    HB2  GLU  36           1HB      GLU  36   5.965  -5.402  -6.724
  242    HB3  GLU  36           2HB      GLU  36   4.269  -5.533  -6.248
  243    HG2  GLU  36           1HG      GLU  36   4.293  -4.333  -8.294
  244    HG3  GLU  36           2HG      GLU  36   3.956  -3.136  -7.038
  245    H    GLY  37           H        GLY  37   3.930  -5.381  -3.217
  246    HA2  GLY  37           1HA      GLY  37   4.328  -7.363  -1.988
  247    HA3  GLY  37           2HA      GLY  37   6.039  -7.332  -2.462
  248    H    GLU  38           H        GLU  38   5.764  -7.767   0.086
  249    HA   GLU  38           HA       GLU  38   5.539  -5.228   1.572
  250    HB2  GLU  38           1HB      GLU  38   6.093  -7.052   3.480
  251    HB3  GLU  38           2HB      GLU  38   4.470  -6.714   2.881
  252    HG2  GLU  38           1HG      GLU  38   4.499  -8.655   1.447
  253    HG3  GLU  38           2HG      GLU  38   6.196  -8.971   1.834
  254    H    CYS  39           H        CYS  39   7.103  -4.511   3.050
  255    HA   CYS  39           HA       CYS  39   9.924  -5.341   2.445
  256    HB2  CYS  39           1HB      CYS  39   8.712  -2.750   3.502
  257    HB3  CYS  39           2HB      CYS  39  10.432  -3.121   3.610
  258    H    LEU  40           H        LEU  40  11.308  -5.051   4.471
  259    HA   LEU  40           HA       LEU  40   9.870  -5.578   7.010
  260    HB2  LEU  40           1HB      LEU  40  10.576  -7.783   6.067
  261    HB3  LEU  40           2HB      LEU  40  12.213  -7.161   5.870
  262    HG   LEU  40           HG       LEU  40  12.442  -6.964   8.324
  263   HD11  LEU  40          1HD1      LEU  40   9.674  -8.234   8.356
  264   HD12  LEU  40          2HD1      LEU  40  10.131  -6.637   8.999
  265   HD13  LEU  40          3HD1      LEU  40  10.752  -8.109   9.768
  266   HD21  LEU  40          3HD2      LEU  40  12.577  -9.383   8.751
  267   HD22  LEU  40          1HD2      LEU  40  13.165  -8.986   7.125
  268   HD23  LEU  40          2HD2      LEU  40  11.548  -9.701   7.334
  Start of MODEL   13
    1    H1   GLU   1           1H       GLU   1  -5.687   9.249  -2.691
    2    H2   GLU   1           2H       GLU   1  -6.002   7.776  -2.024
    3    H3   GLU   1           3H       GLU   1  -5.171   7.876  -3.447
    4    HA   GLU   1           HA       GLU   1  -8.007   8.545  -2.996
    5    HB2  GLU   1           1HB      GLU   1  -6.269   8.845  -5.474
    6    HB3  GLU   1           2HB      GLU   1  -8.035   8.957  -5.477
    7    HG2  GLU   1           1HG      GLU   1  -7.936  10.910  -3.985
    8    HG3  GLU   1           2HG      GLU   1  -6.171  10.780  -3.908
    9    H    ALA   2           H        ALA   2  -9.430   6.938  -3.521
   10    HA   ALA   2           HA       ALA   2  -8.742   4.659  -5.204
   11    HB1  ALA   2           3HB      ALA   2  -9.018   2.955  -3.396
   12    HB2  ALA   2           1HB      ALA   2  -7.626   3.990  -3.019
   13    HB3  ALA   2           2HB      ALA   2  -9.172   4.248  -2.178
   14    H    ALA   3           H        ALA   3 -10.974   3.104  -4.097
   15    HA   ALA   3           HA       ALA   3 -13.345   4.736  -4.588
   16    HB1  ALA   3           3HB      ALA   3 -13.555   2.314  -4.881
   17    HB2  ALA   3           1HB      ALA   3 -12.932   2.006  -3.246
   18    HB3  ALA   3           2HB      ALA   3 -14.529   2.767  -3.466
   19    H    VAL   4           H        VAL   4 -12.519   2.982  -1.621
   20    HA   VAL   4           HA       VAL   4 -11.719   5.520  -0.409
   21    HB   VAL   4           HB       VAL   4 -12.792   4.394   1.842
   22   HG11  VAL   4          1HG1      VAL   4 -14.510   6.164   1.761
   23   HG12  VAL   4          2HG1      VAL   4 -12.932   6.769   1.217
   24   HG13  VAL   4          3HG1      VAL   4 -14.196   6.394   0.024
   25   HG21  VAL   4          3HG2      VAL   4 -14.062   2.674   0.513
   26   HG22  VAL   4          1HG2      VAL   4 -15.131   3.748   1.428
   27   HG23  VAL   4          2HG2      VAL   4 -14.931   3.990  -0.319
   28    H    CYS   5           H        CYS   5 -12.259   2.135   0.074
   29    HA   CYS   5           HA       CYS   5  -9.347   1.780   0.073
   30    HB2  CYS   5           1HB      CYS   5 -10.533   1.292   2.356
   31    HB3  CYS   5           2HB      CYS   5 -10.992  -0.226   1.572
   32    H    THR   6           H        THR   6  -8.649  -0.313  -0.957
   33    HA   THR   6           HA       THR   6 -10.719  -1.574  -2.669
   34    HB   THR   6           HB       THR   6  -8.655  -2.813  -3.504
   35    HG1  THR   6           1HG      THR   6  -6.650  -1.823  -3.064
   36   HG21  THR   6          1HG2      THR   6  -7.847  -1.038  -4.968
   37   HG22  THR   6          2HG2      THR   6  -8.525   0.192  -3.879
   38   HG23  THR   6          3HG2      THR   6  -9.607  -0.900  -4.777
   39    H    THR   7           H        THR   7 -10.858  -4.023  -2.121
   40    HA   THR   7           HA       THR   7 -10.096  -4.392   0.723
   41    HB   THR   7           HB       THR   7 -11.777  -6.269   0.689
   42    HG1  THR   7           1HG      THR   7 -13.003  -6.504  -1.165
   43   HG21  THR   7          1HG2      THR   7 -12.450  -3.940   1.356
   44   HG22  THR   7          2HG2      THR   7 -13.766  -4.871   0.612
   45   HG23  THR   7          3HG2      THR   7 -12.917  -3.632  -0.335
   46    H    GLU   8           H        GLU   8  -8.824  -4.863  -1.962
   47    HA   GLU   8           HA       GLU   8  -8.047  -7.650  -1.902
   48    HB2  GLU   8           1HB      GLU   8  -7.254  -5.297  -3.594
   49    HB3  GLU   8           2HB      GLU   8  -6.364  -6.827  -3.657
   50    HG2  GLU   8           1HG      GLU   8  -7.936  -7.056  -5.331
   51    HG3  GLU   8           2HG      GLU   8  -8.607  -7.976  -4.001
   52    H    TRP   9           H        TRP   9  -6.456  -8.634  -1.048
   53    HA   TRP   9           HA       TRP   9  -4.482  -7.282   0.651
   54    HB2  TRP   9           1HB      TRP   9  -5.039  -9.554   1.250
   55    HB3  TRP   9           2HB      TRP   9  -4.789 -10.120  -0.406
   56    HD1  TRP   9           HD       TRP   9  -2.434 -11.113  -0.936
   57    HE1  TRP   9           1HE      TRP   9  -0.191 -11.320   0.212
   58    HE3  TRP   9           3HE      TRP   9  -3.372  -7.972   2.994
   59    HZ2  TRP   9           2HZ      TRP   9   1.098 -10.215   2.499
   60    HZ3  TRP   9           3HZ      TRP   9  -1.530  -7.559   4.635
   61    HH2  TRP   9           HH       TRP   9   0.677  -8.674   4.385
   62    H    ASP  10           H        ASP  10  -3.160  -5.926  -0.415
   63    HA   ASP  10           HA       ASP  10  -1.712  -6.978  -2.788
   64    HB2  ASP  10           1HB      ASP  10  -3.704  -5.523  -3.450
   65    HB3  ASP  10           2HB      ASP  10  -2.896  -4.188  -2.660
   66    HA   PRO  11           HA       PRO  11   0.688  -5.049   0.624
   67    HB2  PRO  11           1HB      PRO  11   2.798  -6.820   0.638
   68    HB3  PRO  11           2HB      PRO  11   1.275  -7.082   1.540
   69    HG2  PRO  11           1HG      PRO  11   2.038  -8.142  -1.185
   70    HG3  PRO  11           2HG      PRO  11   1.382  -9.018   0.219
   71    HD2  PRO  11           1HD      PRO  11  -0.206  -8.235  -1.760
   72    HD3  PRO  11           2HD      PRO  11  -0.739  -8.064  -0.045
   73    H    VAL  12           H        VAL  12   2.118  -3.489   0.410
   74    HA   VAL  12           HA       VAL  12   4.066  -3.505  -1.824
   75    HB   VAL  12           HB       VAL  12   3.336  -1.090  -2.326
   76   HG11  VAL  12          1HG1      VAL  12   2.935  -3.049  -3.848
   77   HG12  VAL  12          2HG1      VAL  12   1.324  -3.229  -3.118
   78   HG13  VAL  12          3HG1      VAL  12   1.743  -1.749  -4.012
   79   HG21  VAL  12          3HG2      VAL  12   1.848  -0.805  -0.365
   80   HG22  VAL  12          1HG2      VAL  12   1.007  -0.493  -1.892
   81   HG23  VAL  12          2HG2      VAL  12   0.734  -2.021  -1.037
   82    H    CYS  13           H        CYS  13   5.625  -1.749  -1.595
   83    HA   CYS  13           HA       CYS  13   5.900  -0.852   1.259
   84    HB2  CYS  13           1HB      CYS  13   7.479  -2.668   0.290
   85    HB3  CYS  13           2HB      CYS  13   8.133  -1.364  -0.706
   86    H    GLY  14           H        GLY  14   5.893   1.335   1.459
   87    HA2  GLY  14           1HA      GLY  14   5.893   2.946  -1.005
   88    HA3  GLY  14           2HA      GLY  14   5.592   3.519   0.641
   89    H    LYS  15           H        LYS  15   7.161   5.023  -1.054
   90    HA   LYS  15           HA       LYS  15   9.979   4.465  -0.811
   91    HB2  LYS  15           1HB      LYS  15   8.524   7.103  -1.230
   92    HB3  LYS  15           2HB      LYS  15  10.265   6.863  -1.378
   93    HG2  LYS  15           1HG      LYS  15   9.602   4.997  -3.104
   94    HG3  LYS  15           2HG      LYS  15   8.059   5.834  -3.150
   95    HD2  LYS  15           1HD      LYS  15   9.294   6.747  -4.933
   96    HD3  LYS  15           2HD      LYS  15   9.378   7.968  -3.652
   97    HE2  LYS  15           1HE      LYS  15  11.580   7.710  -4.675
   98    HE3  LYS  15           2HE      LYS  15  11.643   7.096  -3.014
   99    HZ1  LYS  15           3HZ      LYS  15  11.276   5.343  -5.375
  100    HZ2  LYS  15           1HZ      LYS  15  11.583   4.870  -3.821
  101    HZ3  LYS  15           2HZ      LYS  15  12.743   5.654  -4.687
  102    H    ASP  16           H        ASP  16   7.736   5.526   1.507
  103    HA   ASP  16           HA       ASP  16   9.671   6.899   3.232
  104    HB2  ASP  16           1HB      ASP  16   7.198   7.426   3.099
  105    HB3  ASP  16           2HB      ASP  16   6.877   5.850   3.839
  106    H    GLY  17           H        GLY  17   9.409   3.748   2.291
  107    HA2  GLY  17           1HA      GLY  17  10.387   1.863   3.188
  108    HA3  GLY  17           2HA      GLY  17  10.871   2.808   4.605
  109    H    LYS  18           H        LYS  18   7.516   2.925   3.800
  110    HA   LYS  18           HA       LYS  18   6.985   1.207   6.179
  111    HB2  LYS  18           1HB      LYS  18   5.137   3.242   4.893
  112    HB3  LYS  18           2HB      LYS  18   4.896   2.404   6.426
  113    HG2  LYS  18           1HG      LYS  18   7.014   4.492   5.807
  114    HG3  LYS  18           2HG      LYS  18   5.573   4.718   6.800
  115    HD2  LYS  18           1HD      LYS  18   6.484   2.961   8.377
  116    HD3  LYS  18           2HD      LYS  18   7.981   2.960   7.426
  117    HE2  LYS  18           1HE      LYS  18   6.783   5.342   8.903
  118    HE3  LYS  18           2HE      LYS  18   8.199   4.402   9.403
  119    HZ1  LYS  18           3HZ      LYS  18   7.959   6.259   7.117
  120    HZ2  LYS  18           1HZ      LYS  18   9.173   5.144   7.172
  121    HZ3  LYS  18           2HZ      LYS  18   9.050   6.295   8.352
  122    H    THR  19           H        THR  19   5.763  -0.547   6.069
  123    HA   THR  19           HA       THR  19   5.022  -1.544   3.420
  124    HB   THR  19           HB       THR  19   4.529  -2.894   6.098
  125    HG1  THR  19           1HG      THR  19   6.743  -3.765   5.620
  126   HG21  THR  19          1HG2      THR  19   3.626  -4.056   4.154
  127   HG22  THR  19          2HG2      THR  19   5.066  -4.923   4.732
  128   HG23  THR  19          3HG2      THR  19   5.172  -3.881   3.289
  129    H    TYR  20           H        TYR  20   3.007  -1.535   2.592
  130    HA   TYR  20           HA       TYR  20   0.744  -0.981   4.486
  131    HB2  TYR  20           1HB      TYR  20   1.115  -0.209   1.577
  132    HB3  TYR  20           2HB      TYR  20  -0.399  -0.034   2.465
  133    HD1  TYR  20           1HD      TYR  20  -0.579   1.599   4.350
  134    HD2  TYR  20           2HD      TYR  20   3.009   1.305   2.005
  135    HE1  TYR  20           1HE      TYR  20   0.190   3.782   5.260
  136    HE2  TYR  20           2HE      TYR  20   3.777   3.495   2.926
  137    HH   TYR  20           HH       TYR  20   3.312   5.228   4.401
  138    H    SER  21           H        SER  21  -0.948  -2.424   4.467
  139    HA   SER  21           HA       SER  21  -0.338  -5.016   3.380
  140    HB2  SER  21           1HB      SER  21  -2.482  -5.692   4.350
  141    HB3  SER  21           2HB      SER  21  -1.578  -4.686   5.498
  142    HG   SER  21           HG       SER  21  -3.934  -4.169   4.098
  143    H    ASN  22           H        ASN  22  -2.797  -2.553   2.544
  144    HA   ASN  22           HA       ASN  22  -3.201  -4.030  -0.012
  145    HB2  ASN  22           1HB      ASN  22  -5.015  -1.851   0.986
  146    HB3  ASN  22           2HB      ASN  22  -5.301  -3.000  -0.311
  147   HD21  ASN  22          2HD2      ASN  22  -7.360  -3.037   1.075
  148   HD22  ASN  22          1HD2      ASN  22  -7.425  -4.280   2.301
  149    H    LEU  23           H        LEU  23  -3.420  -2.650  -1.872
  150    HA   LEU  23           HA       LEU  23  -1.438  -0.552  -2.047
  151    HB2  LEU  23           1HB      LEU  23  -2.189  -2.048  -3.926
  152    HB3  LEU  23           2HB      LEU  23  -3.735  -1.210  -3.926
  153    HG   LEU  23           HG       LEU  23  -2.524   0.900  -4.521
  154   HD11  LEU  23          1HD1      LEU  23  -0.155  -0.963  -4.865
  155   HD12  LEU  23          2HD1      LEU  23  -0.281   0.380  -3.703
  156   HD13  LEU  23          3HD1      LEU  23  -0.236   0.716  -5.442
  157   HD21  LEU  23          3HD2      LEU  23  -3.633  -0.470  -6.213
  158   HD22  LEU  23          1HD2      LEU  23  -2.172  -1.473  -6.387
  159   HD23  LEU  23          2HD2      LEU  23  -2.148   0.239  -6.872
  160    H    CYS  24           H        CYS  24  -4.839  -0.788  -1.329
  161    HA   CYS  24           HA       CYS  24  -5.753   1.835  -1.669
  162    HB2  CYS  24           1HB      CYS  24  -7.410   0.550  -0.923
  163    HB3  CYS  24           2HB      CYS  24  -6.383  -0.506  -0.000
  164    H    TRP  25           H        TRP  25  -4.185   0.428   1.225
  165    HA   TRP  25           HA       TRP  25  -4.273   2.888   2.649
  166    HB2  TRP  25           1HB      TRP  25  -2.391   0.547   3.053
  167    HB3  TRP  25           2HB      TRP  25  -2.748   1.824   4.226
  168    HD1  TRP  25           HD       TRP  25  -3.668  -1.600   3.643
  169    HE1  TRP  25           1HE      TRP  25  -5.910  -2.268   4.622
  170    HE3  TRP  25           3HE      TRP  25  -5.493   3.108   4.468
  171    HZ2  TRP  25           2HZ      TRP  25  -8.226  -0.941   5.629
  172    HZ3  TRP  25           3HZ      TRP  25  -7.782   3.345   5.453
  173    HH2  TRP  25           HH       TRP  25  -9.128   1.325   6.024
  174    H    LEU  26           H        LEU  26  -1.853   1.487   0.461
  175    HA   LEU  26           HA       LEU  26   0.172   3.468   0.939
  176    HB2  LEU  26           1HB      LEU  26   0.487   1.306  -0.216
  177    HB3  LEU  26           2HB      LEU  26  -0.496   1.848  -1.546
  178    HG   LEU  26           HG       LEU  26   1.959   1.699  -1.943
  179   HD11  LEU  26          1HD1      LEU  26   0.842   4.467  -2.448
  180   HD12  LEU  26          2HD1      LEU  26   0.424   3.017  -3.395
  181   HD13  LEU  26          3HD1      LEU  26   2.096   3.618  -3.366
  182   HD21  LEU  26          3HD2      LEU  26   2.734   2.616   0.161
  183   HD22  LEU  26          1HD2      LEU  26   2.060   4.205  -0.270
  184   HD23  LEU  26          2HD2      LEU  26   3.389   3.513  -1.224
  185    H    ASN  27           H        ASN  27  -2.549   3.272  -1.403
  186    HA   ASN  27           HA       ASN  27  -1.908   5.740  -2.724
  187    HB2  ASN  27           1HB      ASN  27  -4.587   4.294  -2.474
  188    HB3  ASN  27           2HB      ASN  27  -4.242   5.618  -3.591
  189   HD21  ASN  27          2HD2      ASN  27  -1.595   4.790  -4.343
  190   HD22  ASN  27          1HD2      ASN  27  -1.800   3.362  -5.326
  191    H    GLU  28           H        GLU  28  -3.927   4.998   0.110
  192    HA   GLU  28           HA       GLU  28  -5.123   7.665   0.093
  193    HB2  GLU  28           1HB      GLU  28  -5.138   5.443   2.160
  194    HB3  GLU  28           2HB      GLU  28  -6.016   6.966   2.334
  195    HG2  GLU  28           1HG      GLU  28  -6.484   5.012   0.035
  196    HG3  GLU  28           2HG      GLU  28  -7.419   5.015   1.533
  197    H    ALA  29           H        ALA  29  -2.340   6.100   1.629
  198    HA   ALA  29           HA       ALA  29  -1.825   8.343   3.415
  199    HB1  ALA  29           3HB      ALA  29   0.390   7.214   3.702
  200    HB2  ALA  29           1HB      ALA  29  -0.986   6.118   3.967
  201    HB3  ALA  29           2HB      ALA  29  -0.075   6.043   2.442
  202    H    GLY  30           H        GLY  30  -1.263   7.622   0.054
  203    HA2  GLY  30           1HA      GLY  30  -0.631   9.112  -1.594
  204    HA3  GLY  30           2HA      GLY  30  -0.319  10.331  -0.354
  205    H    VAL  31           H        VAL  31   1.323   7.323   0.116
  206    HA   VAL  31           HA       VAL  31   3.869   8.650  -0.332
  207    HB   VAL  31           HB       VAL  31   3.734   5.680   0.083
  208   HG11  VAL  31          1HG1      VAL  31   5.888   6.862   0.002
  209   HG12  VAL  31          2HG1      VAL  31   5.383   7.893   1.365
  210   HG13  VAL  31          3HG1      VAL  31   5.611   6.145   1.601
  211   HG21  VAL  31          3HG2      VAL  31   1.985   6.218   1.589
  212   HG22  VAL  31          1HG2      VAL  31   3.443   6.054   2.572
  213   HG23  VAL  31          2HG2      VAL  31   2.831   7.676   2.182
  214    H    GLY  32           H        GLY  32   5.278   8.191  -1.936
  215    HA2  GLY  32           1HA      GLY  32   4.288   7.076  -4.409
  216    HA3  GLY  32           2HA      GLY  32   5.983   7.494  -4.050
  217    H    LEU  33           H        LEU  33   4.956   5.079  -5.377
  218    HA   LEU  33           HA       LEU  33   5.236   2.885  -3.454
  219    HB2  LEU  33           1HB      LEU  33   3.770   2.778  -5.466
  220    HB3  LEU  33           2HB      LEU  33   5.185   2.980  -6.493
  221    HG   LEU  33           HG       LEU  33   6.053   0.784  -5.687
  222   HD11  LEU  33          1HD1      LEU  33   4.930   0.637  -3.529
  223   HD12  LEU  33          2HD1      LEU  33   4.459  -0.733  -4.544
  224   HD13  LEU  33          3HD1      LEU  33   3.338   0.632  -4.326
  225   HD21  LEU  33          3HD2      LEU  33   4.439  -0.564  -6.973
  226   HD22  LEU  33          1HD2      LEU  33   4.785   0.978  -7.782
  227   HD23  LEU  33          2HD2      LEU  33   3.257   0.762  -6.892
  228    H    ASP  34           H        ASP  34   7.095   1.612  -3.156
  229    HA   ASP  34           HA       ASP  34   9.477   2.400  -4.812
  230    HB2  ASP  34           1HB      ASP  34   9.365   2.947  -2.245
  231    HB3  ASP  34           2HB      ASP  34   9.739   1.241  -2.036
  232    H    HIS  35           H        HIS  35   8.287  -0.256  -2.671
  233    HA   HIS  35           HA       HIS  35   9.300  -2.157  -4.753
  234    HB2  HIS  35           1HB      HIS  35   8.779  -2.923  -1.884
  235    HB3  HIS  35           2HB      HIS  35   9.696  -3.800  -3.101
  236    HD1  HIS  35           1HD      HIS  35  10.746  -2.785  -0.180
  237    HD2  HIS  35           2HD      HIS  35  11.599  -1.055  -3.891
  238    HE1  HIS  35           1HE      HIS  35  12.869  -1.420   0.119
  239    H    GLU  36           H        GLU  36   7.962  -3.848  -5.418
  240    HA   GLU  36           HA       GLU  36   5.104  -3.643  -4.573
  241    HB2  GLU  36           1HB      GLU  36   6.463  -5.330  -6.722
  242    HB3  GLU  36           2HB      GLU  36   4.735  -5.351  -6.338
  243    HG2  GLU  36           1HG      GLU  36   4.615  -2.928  -6.953
  244    HG3  GLU  36           2HG      GLU  36   6.311  -3.005  -7.455
  245    H    GLY  37           H        GLY  37   4.266  -5.339  -3.287
  246    HA2  GLY  37           1HA      GLY  37   4.417  -7.444  -2.191
  247    HA3  GLY  37           2HA      GLY  37   6.164  -7.499  -2.515
  248    H    GLU  38           H        GLU  38   5.252  -7.984   0.030
  249    HA   GLU  38           HA       GLU  38   5.200  -5.545   1.614
  250    HB2  GLU  38           1HB      GLU  38   5.770  -7.494   3.429
  251    HB3  GLU  38           2HB      GLU  38   4.145  -7.055   2.905
  252    HG2  GLU  38           1HG      GLU  38   4.101  -8.908   1.317
  253    HG3  GLU  38           2HG      GLU  38   5.779  -9.317   1.705
  254    H    CYS  39           H        CYS  39   6.805  -5.094   3.317
  255    HA   CYS  39           HA       CYS  39   9.546  -6.057   2.773
  256    HB2  CYS  39           1HB      CYS  39  10.406  -3.757   2.723
  257    HB3  CYS  39           2HB      CYS  39   9.272  -4.020   1.390
  258    H    LEU  40           H        LEU  40  10.982  -5.014   4.564
  259    HA   LEU  40           HA       LEU  40   9.711  -4.190   7.020
  260    HB2  LEU  40           1HB      LEU  40  10.715  -6.102   8.333
  261    HB3  LEU  40           2HB      LEU  40   9.271  -6.494   7.419
  262    HG   LEU  40           HG       LEU  40  10.748  -7.593   5.684
  263   HD11  LEU  40          1HD1      LEU  40  12.929  -6.646   6.198
  264   HD12  LEU  40          2HD1      LEU  40  12.975  -8.390   6.508
  265   HD13  LEU  40          3HD1      LEU  40  12.843  -7.245   7.866
  266   HD21  LEU  40          3HD2      LEU  40  10.770  -8.652   8.536
  267   HD22  LEU  40          1HD2      LEU  40  10.973  -9.624   7.058
  268   HD23  LEU  40          2HD2      LEU  40   9.434  -8.799   7.368
  Start of MODEL   14
    1    H1   GLU   1           1H       GLU   1 -15.173   7.697  -6.106
    2    H2   GLU   1           2H       GLU   1 -15.345   6.359  -5.154
    3    H3   GLU   1           3H       GLU   1 -16.678   7.113  -5.775
    4    HA   GLU   1           HA       GLU   1 -14.799   8.331  -3.858
    5    HB2  GLU   1           1HB      GLU   1 -16.005   9.897  -5.385
    6    HB3  GLU   1           2HB      GLU   1 -17.539   9.271  -4.766
    7    HG2  GLU   1           1HG      GLU   1 -16.919  10.053  -2.480
    8    HG3  GLU   1           2HG      GLU   1 -15.399  10.695  -3.124
    9    H    ALA   2           H        ALA   2 -18.146   6.928  -4.223
   10    HA   ALA   2           HA       ALA   2 -18.657   6.826  -1.422
   11    HB1  ALA   2           3HB      ALA   2 -19.674   5.000  -3.662
   12    HB2  ALA   2           1HB      ALA   2 -20.379   5.148  -2.036
   13    HB3  ALA   2           2HB      ALA   2 -20.422   6.535  -3.145
   14    H    ALA   3           H        ALA   3 -16.914   4.747  -3.634
   15    HA   ALA   3           HA       ALA   3 -15.462   3.566  -1.379
   16    HB1  ALA   3           3HB      ALA   3 -16.733   1.896  -3.628
   17    HB2  ALA   3           1HB      ALA   3 -15.571   1.290  -2.423
   18    HB3  ALA   3           2HB      ALA   3 -17.191   1.818  -1.909
   19    H    VAL   4           H        VAL   4 -13.310   2.956  -2.302
   20    HA   VAL   4           HA       VAL   4 -12.891   3.801  -5.103
   21    HB   VAL   4           HB       VAL   4 -10.739   4.997  -4.443
   22   HG11  VAL   4          1HG1      VAL   4 -13.288   6.269  -3.367
   23   HG12  VAL   4          2HG1      VAL   4 -11.813   7.114  -3.897
   24   HG13  VAL   4          3HG1      VAL   4 -12.797   6.227  -5.081
   25   HG21  VAL   4          3HG2      VAL   4 -10.569   5.891  -2.123
   26   HG22  VAL   4          1HG2      VAL   4 -11.986   4.938  -1.638
   27   HG23  VAL   4          2HG2      VAL   4 -10.479   4.125  -2.132
   28    H    CYS   5           H        CYS   5 -11.697   2.130  -2.311
   29    HA   CYS   5           HA       CYS   5 -10.013   0.460  -4.093
   30    HB2  CYS   5           1HB      CYS   5  -8.547   0.051  -2.200
   31    HB3  CYS   5           2HB      CYS   5  -8.649   1.771  -2.592
   32    H    THR   6           H        THR   6  -9.753  -1.789  -3.501
   33    HA   THR   6           HA       THR   6 -12.133  -2.935  -2.148
   34    HB   THR   6           HB       THR   6 -11.071  -5.071  -3.025
   35    HG1  THR   6           1HG      THR   6  -9.430  -4.750  -4.615
   36   HG21  THR   6          1HG2      THR   6 -12.862  -3.890  -4.306
   37   HG22  THR   6          2HG2      THR   6 -11.700  -4.732  -5.356
   38   HG23  THR   6          3HG2      THR   6 -11.597  -2.970  -5.159
   39    H    THR   7           H        THR   7 -11.591  -4.757  -0.589
   40    HA   THR   7           HA       THR   7  -9.369  -3.902   1.154
   41    HB   THR   7           HB       THR   7 -10.499  -5.480   2.796
   42    HG1  THR   7           1HG      THR   7 -12.446  -6.367   2.162
   43   HG21  THR   7          1HG2      THR   7 -12.373  -3.421   1.553
   44   HG22  THR   7          2HG2      THR   7 -11.069  -3.040   2.705
   45   HG23  THR   7          3HG2      THR   7 -12.432  -4.060   3.210
   46    H    GLU   8           H        GLU   8  -9.140  -5.525  -1.361
   47    HA   GLU   8           HA       GLU   8  -8.380  -8.186  -0.615
   48    HB2  GLU   8           1HB      GLU   8  -7.576  -8.452  -2.833
   49    HB3  GLU   8           2HB      GLU   8  -9.029  -7.456  -2.918
   50    HG2  GLU   8           1HG      GLU   8  -7.432  -5.445  -2.964
   51    HG3  GLU   8           2HG      GLU   8  -6.150  -6.616  -3.281
   52    H    TRP   9           H        TRP   9  -6.528  -9.038   0.083
   53    HA   TRP   9           HA       TRP   9  -4.482  -7.437   1.275
   54    HB2  TRP   9           1HB      TRP   9  -4.859  -9.696   2.046
   55    HB3  TRP   9           2HB      TRP   9  -4.601 -10.354   0.427
   56    HD1  TRP   9           HD       TRP   9  -2.221 -11.280  -0.020
   57    HE1  TRP   9           1HE      TRP   9   0.063 -11.178   1.053
   58    HE3  TRP   9           3HE      TRP   9  -3.272  -7.724   3.508
   59    HZ2  TRP   9           2HZ      TRP   9   1.336  -9.680   3.107
   60    HZ3  TRP   9           3HZ      TRP   9  -1.413  -6.956   4.994
   61    HH2  TRP   9           HH       TRP   9   0.866  -7.933   4.793
   62    H    ASP  10           H        ASP  10  -3.225  -6.108   0.147
   63    HA   ASP  10           HA       ASP  10  -1.914  -7.141  -2.315
   64    HB2  ASP  10           1HB      ASP  10  -3.949  -5.801  -2.925
   65    HB3  ASP  10           2HB      ASP  10  -3.277  -4.436  -2.038
   66    HA   PRO  11           HA       PRO  11   0.661  -4.984   0.814
   67    HB2  PRO  11           1HB      PRO  11   2.874  -6.630   0.742
   68    HB3  PRO  11           2HB      PRO  11   1.454  -6.908   1.798
   69    HG2  PRO  11           1HG      PRO  11   2.056  -8.131  -0.878
   70    HG3  PRO  11           2HG      PRO  11   1.569  -8.918   0.630
   71    HD2  PRO  11           1HD      PRO  11  -0.220  -8.360  -1.305
   72    HD3  PRO  11           2HD      PRO  11  -0.648  -8.121   0.427
   73    H    VAL  12           H        VAL  12   1.901  -3.366   0.366
   74    HA   VAL  12           HA       VAL  12   3.717  -3.434  -1.985
   75    HB   VAL  12           HB       VAL  12   2.943  -1.114  -2.574
   76   HG11  VAL  12          1HG1      VAL  12   2.208  -3.089  -3.888
   77   HG12  VAL  12          2HG1      VAL  12   0.760  -3.214  -2.864
   78   HG13  VAL  12          3HG1      VAL  12   1.007  -1.788  -3.894
   79   HG21  VAL  12          3HG2      VAL  12   0.764  -0.312  -1.828
   80   HG22  VAL  12          1HG2      VAL  12   0.521  -1.765  -0.837
   81   HG23  VAL  12          2HG2      VAL  12   1.796  -0.595  -0.418
   82    H    CYS  13           H        CYS  13   5.219  -1.557  -1.840
   83    HA   CYS  13           HA       CYS  13   5.609  -0.695   1.004
   84    HB2  CYS  13           1HB      CYS  13   7.062  -2.609   0.375
   85    HB3  CYS  13           2HB      CYS  13   7.670  -1.665  -0.984
   86    H    GLY  14           H        GLY  14   5.894   1.438   1.210
   87    HA2  GLY  14           1HA      GLY  14   5.877   3.051  -1.252
   88    HA3  GLY  14           2HA      GLY  14   5.710   3.639   0.408
   89    H    LYS  15           H        LYS  15   7.241   5.126  -1.204
   90    HA   LYS  15           HA       LYS  15  10.000   4.359  -1.323
   91    HB2  LYS  15           1HB      LYS  15   8.711   7.109  -1.345
   92    HB3  LYS  15           2HB      LYS  15  10.411   6.791  -1.690
   93    HG2  LYS  15           1HG      LYS  15   9.326   5.059  -3.438
   94    HG3  LYS  15           2HG      LYS  15   7.993   6.202  -3.341
   95    HD2  LYS  15           1HD      LYS  15   9.283   6.948  -5.150
   96    HD3  LYS  15           2HD      LYS  15   9.715   8.033  -3.818
   97    HE2  LYS  15           1HE      LYS  15  11.737   7.369  -5.026
   98    HE3  LYS  15           2HE      LYS  15  11.774   6.663  -3.402
   99    HZ1  LYS  15           3HZ      LYS  15  10.841   5.131  -5.759
  100    HZ2  LYS  15           1HZ      LYS  15  11.261   4.543  -4.273
  101    HZ3  LYS  15           2HZ      LYS  15  12.418   5.143  -5.277
  102    H    ASP  16           H        ASP  16   8.207   5.269   1.429
  103    HA   ASP  16           HA       ASP  16  10.627   6.177   2.887
  104    HB2  ASP  16           1HB      ASP  16   7.726   5.816   3.721
  105    HB3  ASP  16           2HB      ASP  16   9.021   6.226   4.856
  106    H    GLY  17           H        GLY  17   9.740   3.308   1.720
  107    HA2  GLY  17           1HA      GLY  17  10.601   1.243   2.242
  108    HA3  GLY  17           2HA      GLY  17  11.271   1.905   3.734
  109    H    LYS  18           H        LYS  18   7.975   2.631   3.706
  110    HA   LYS  18           HA       LYS  18   7.608   0.385   5.590
  111    HB2  LYS  18           1HB      LYS  18   5.893   2.858   5.227
  112    HB3  LYS  18           2HB      LYS  18   5.698   1.622   6.468
  113    HG2  LYS  18           1HG      LYS  18   7.901   3.699   6.208
  114    HG3  LYS  18           2HG      LYS  18   6.802   3.429   7.561
  115    HD2  LYS  18           1HD      LYS  18   9.148   1.633   6.732
  116    HD3  LYS  18           2HD      LYS  18   9.112   2.710   8.123
  117    HE2  LYS  18           1HE      LYS  18   7.547   1.318   9.300
  118    HE3  LYS  18           2HE      LYS  18   7.145   0.401   7.836
  119    HZ1  LYS  18           3HZ      LYS  18   8.664  -0.870   9.248
  120    HZ2  LYS  18           1HZ      LYS  18   9.793   0.329   9.197
  121    HZ3  LYS  18           2HZ      LYS  18   9.415  -0.510   7.829
  122    H    THR  19           H        THR  19   6.158  -1.094   5.555
  123    HA   THR  19           HA       THR  19   4.917  -1.761   3.019
  124    HB   THR  19           HB       THR  19   4.734  -3.098   5.758
  125    HG1  THR  19           1HG      THR  19   6.599  -4.061   5.268
  126   HG21  THR  19          1HG2      THR  19   4.366  -5.148   4.380
  127   HG22  THR  19          2HG2      THR  19   4.242  -4.117   2.934
  128   HG23  THR  19          3HG2      THR  19   3.048  -3.972   4.246
  129    H    TYR  20           H        TYR  20   2.849  -1.524   2.451
  130    HA   TYR  20           HA       TYR  20   0.874  -0.858   4.605
  131    HB2  TYR  20           1HB      TYR  20   1.011   0.019   1.710
  132    HB3  TYR  20           2HB      TYR  20  -0.416   0.225   2.741
  133    HD1  TYR  20           1HD      TYR  20  -0.407   1.782   4.622
  134    HD2  TYR  20           2HD      TYR  20   3.093   1.327   2.176
  135    HE1  TYR  20           1HE      TYR  20   0.574   3.844   5.632
  136    HE2  TYR  20           2HE      TYR  20   4.064   3.385   3.178
  137    HH   TYR  20           HH       TYR  20   3.762   5.107   4.670
  138    H    SER  21           H        SER  21  -0.899  -2.147   4.740
  139    HA   SER  21           HA       SER  21  -0.658  -4.776   3.813
  140    HB2  SER  21           1HB      SER  21  -3.266  -3.437   4.600
  141    HB3  SER  21           2HB      SER  21  -2.814  -5.146   4.790
  142    HG   SER  21           HG       SER  21  -2.488  -4.145   6.752
  143    H    ASN  22           H        ASN  22  -3.050  -2.329   2.665
  144    HA   ASN  22           HA       ASN  22  -2.889  -3.701   0.045
  145    HB2  ASN  22           1HB      ASN  22  -5.094  -2.874  -0.575
  146    HB3  ASN  22           2HB      ASN  22  -5.158  -3.963   0.809
  147   HD21  ASN  22          2HD2      ASN  22  -7.328  -2.804   0.810
  148   HD22  ASN  22          1HD2      ASN  22  -7.411  -1.374   1.814
  149    H    LEU  23           H        LEU  23  -3.206  -2.184  -1.824
  150    HA   LEU  23           HA       LEU  23  -1.411   0.028  -1.719
  151    HB2  LEU  23           1HB      LEU  23  -2.077  -1.277  -3.738
  152    HB3  LEU  23           2HB      LEU  23  -3.675  -0.551  -3.654
  153    HG   LEU  23           HG       LEU  23  -2.647   1.684  -4.089
  154   HD11  LEU  23          1HD1      LEU  23  -0.346   1.784  -4.976
  155   HD12  LEU  23          2HD1      LEU  23  -0.114   0.065  -4.586
  156   HD13  LEU  23          3HD1      LEU  23  -0.356   1.255  -3.285
  157   HD21  LEU  23          3HD2      LEU  23  -3.618   0.325  -5.888
  158   HD22  LEU  23          1HD2      LEU  23  -2.058  -0.499  -6.127
  159   HD23  LEU  23          2HD2      LEU  23  -2.217   1.240  -6.476
  160    H    CYS  24           H        CYS  24  -4.784  -0.255  -0.840
  161    HA   CYS  24           HA       CYS  24  -5.581   2.449  -1.219
  162    HB2  CYS  24           1HB      CYS  24  -6.975   0.356  -0.588
  163    HB3  CYS  24           2HB      CYS  24  -6.534   0.735   1.079
  164    H    TRP  25           H        TRP  25  -4.095   0.809   1.649
  165    HA   TRP  25           HA       TRP  25  -4.119   3.266   3.177
  166    HB2  TRP  25           1HB      TRP  25  -2.539   0.701   3.532
  167    HB3  TRP  25           2HB      TRP  25  -2.526   2.062   4.667
  168    HD1  TRP  25           HD       TRP  25  -4.221  -1.116   4.266
  169    HE1  TRP  25           1HE      TRP  25  -6.411  -1.270   5.546
  170    HE3  TRP  25           3HE      TRP  25  -4.809   3.868   5.249
  171    HZ2  TRP  25           2HZ      TRP  25  -8.227   0.535   6.799
  172    HZ3  TRP  25           3HZ      TRP  25  -6.842   4.608   6.505
  173    HH2  TRP  25           HH       TRP  25  -8.535   2.943   7.264
  174    H    LEU  26           H        LEU  26  -1.845   1.816   0.881
  175    HA   LEU  26           HA       LEU  26   0.383   3.533   1.483
  176    HB2  LEU  26           1HB      LEU  26   0.509   1.513   0.084
  177    HB3  LEU  26           2HB      LEU  26  -0.514   2.243  -1.116
  178    HG   LEU  26           HG       LEU  26   1.899   2.004  -1.685
  179   HD11  LEU  26          1HD1      LEU  26   0.337   3.553  -2.884
  180   HD12  LEU  26          2HD1      LEU  26   2.047   4.022  -2.947
  181   HD13  LEU  26          3HD1      LEU  26   0.943   4.871  -1.853
  182   HD21  LEU  26          3HD2      LEU  26   2.240   4.295   0.243
  183   HD22  LEU  26          1HD2      LEU  26   3.450   3.729  -0.926
  184   HD23  LEU  26          2HD2      LEU  26   2.920   2.656   0.383
  185    H    ASN  27           H        ASN  27  -2.344   3.802  -0.818
  186    HA   ASN  27           HA       ASN  27  -1.612   6.352  -1.865
  187    HB2  ASN  27           1HB      ASN  27  -3.203   4.888  -2.994
  188    HB3  ASN  27           2HB      ASN  27  -4.304   4.962  -1.611
  189   HD21  ASN  27          2HD2      ASN  27  -2.579   7.261  -3.747
  190   HD22  ASN  27          1HD2      ASN  27  -3.960   8.306  -3.965
  191    H    GLU  28           H        GLU  28  -3.759   5.462   0.864
  192    HA   GLU  28           HA       GLU  28  -4.648   8.145   1.364
  193    HB2  GLU  28           1HB      GLU  28  -4.499   5.640   3.055
  194    HB3  GLU  28           2HB      GLU  28  -5.142   7.162   3.686
  195    HG2  GLU  28           1HG      GLU  28  -6.935   7.182   2.124
  196    HG3  GLU  28           2HG      GLU  28  -6.212   5.889   1.157
  197    H    ALA  29           H        ALA  29  -1.765   6.351   2.398
  198    HA   ALA  29           HA       ALA  29  -1.017   8.356   4.375
  199    HB1  ALA  29           3HB      ALA  29   0.508   6.069   3.075
  200    HB2  ALA  29           1HB      ALA  29   1.128   7.078   4.407
  201    HB3  ALA  29           2HB      ALA  29  -0.306   6.055   4.654
  202    H    GLY  30           H        GLY  30  -0.877   8.185   0.948
  203    HA2  GLY  30           1HA      GLY  30  -0.174   9.821  -0.508
  204    HA3  GLY  30           2HA      GLY  30   0.395  10.770   0.868
  205    H    VAL  31           H        VAL  31   1.715   7.585   0.707
  206    HA   VAL  31           HA       VAL  31   4.334   8.746   0.140
  207    HB   VAL  31           HB       VAL  31   3.934   5.772   0.314
  208   HG11  VAL  31          1HG1      VAL  31   6.177   6.680   0.014
  209   HG12  VAL  31          2HG1      VAL  31   5.982   7.697   1.459
  210   HG13  VAL  31          3HG1      VAL  31   6.039   5.927   1.617
  211   HG21  VAL  31          3HG2      VAL  31   4.011   5.934   2.835
  212   HG22  VAL  31          1HG2      VAL  31   3.565   7.648   2.668
  213   HG23  VAL  31          2HG2      VAL  31   2.472   6.363   2.084
  214    H    GLY  32           H        GLY  32   5.479   8.417  -1.697
  215    HA2  GLY  32           1HA      GLY  32   4.126   7.556  -4.094
  216    HA3  GLY  32           2HA      GLY  32   5.882   7.826  -3.923
  217    H    LEU  33           H        LEU  33   4.270   5.558  -5.143
  218    HA   LEU  33           HA       LEU  33   4.702   3.237  -3.443
  219    HB2  LEU  33           1HB      LEU  33   2.976   3.391  -5.220
  220    HB3  LEU  33           2HB      LEU  33   4.244   3.549  -6.425
  221    HG   LEU  33           HG       LEU  33   4.965   1.240  -5.997
  222   HD11  LEU  33          1HD1      LEU  33   3.504  -0.252  -4.668
  223   HD12  LEU  33          2HD1      LEU  33   2.585   1.162  -4.101
  224   HD13  LEU  33          3HD1      LEU  33   4.297   0.968  -3.658
  225   HD21  LEU  33          3HD2      LEU  33   3.307   1.784  -7.737
  226   HD22  LEU  33          1HD2      LEU  33   1.988   1.591  -6.555
  227   HD23  LEU  33          2HD2      LEU  33   2.980   0.195  -7.025
  228    H    ASP  34           H        ASP  34   6.418   1.721  -3.618
  229    HA   ASP  34           HA       ASP  34   8.642   2.526  -5.461
  230    HB2  ASP  34           1HB      ASP  34   8.821   3.056  -2.887
  231    HB3  ASP  34           2HB      ASP  34   9.171   1.342  -2.727
  232    H    HIS  35           H        HIS  35   7.615  -0.084  -3.209
  233    HA   HIS  35           HA       HIS  35   8.480  -2.021  -5.318
  234    HB2  HIS  35           1HB      HIS  35   8.473  -2.702  -2.392
  235    HB3  HIS  35           2HB      HIS  35   9.285  -3.528  -3.712
  236    HD1  HIS  35           1HD      HIS  35  10.514  -2.108  -0.949
  237    HD2  HIS  35           2HD      HIS  35  10.868  -0.817  -4.907
  238    HE1  HIS  35           1HE      HIS  35  12.536  -0.569  -1.037
  239    H    GLU  36           H        GLU  36   7.326  -3.980  -5.536
  240    HA   GLU  36           HA       GLU  36   4.553  -3.925  -4.429
  241    HB2  GLU  36           1HB      GLU  36   5.890  -5.760  -6.471
  242    HB3  GLU  36           2HB      GLU  36   4.211  -5.884  -5.929
  243    HG2  GLU  36           1HG      GLU  36   5.451  -3.571  -7.453
  244    HG3  GLU  36           2HG      GLU  36   4.333  -4.777  -8.101
  245    H    GLY  37           H        GLY  37   3.980  -5.563  -2.925
  246    HA2  GLY  37           1HA      GLY  37   4.408  -7.482  -1.619
  247    HA3  GLY  37           2HA      GLY  37   6.092  -7.507  -2.175
  248    H    GLU  38           H        GLU  38   5.847  -7.888   0.403
  249    HA   GLU  38           HA       GLU  38   5.652  -5.445   1.943
  250    HB2  GLU  38           1HB      GLU  38   6.676  -8.198   2.710
  251    HB3  GLU  38           2HB      GLU  38   6.297  -6.890   3.834
  252    HG2  GLU  38           1HG      GLU  38   3.929  -6.949   3.033
  253    HG3  GLU  38           2HG      GLU  38   4.333  -8.356   2.041
  254    H    CYS  39           H        CYS  39   7.220  -4.628   3.371
  255    HA   CYS  39           HA       CYS  39  10.104  -5.095   2.705
  256    HB2  CYS  39           1HB      CYS  39   8.613  -2.522   3.385
  257    HB3  CYS  39           2HB      CYS  39  10.347  -2.696   3.638
  258    H    LEU  40           H        LEU  40  11.345  -4.351   4.794
  259    HA   LEU  40           HA       LEU  40   9.970  -5.499   7.163
  260    HB2  LEU  40           1HB      LEU  40  12.855  -4.755   6.542
  261    HB3  LEU  40           2HB      LEU  40  12.301  -5.126   8.165
  262    HG   LEU  40           HG       LEU  40  11.671  -7.417   7.427
  263   HD11  LEU  40          1HD1      LEU  40  13.079  -6.644   4.838
  264   HD12  LEU  40          2HD1      LEU  40  11.389  -7.169   5.024
  265   HD13  LEU  40          3HD1      LEU  40  12.706  -8.312   5.335
  266   HD21  LEU  40          3HD2      LEU  40  13.992  -8.229   7.371
  267   HD22  LEU  40          1HD2      LEU  40  13.803  -6.907   8.538
  268   HD23  LEU  40          2HD2      LEU  40  14.563  -6.594   6.959
  Start of MODEL   15
    1    H1   GLU   1           1H       GLU   1 -15.489   9.749  -7.303
    2    H2   GLU   1           2H       GLU   1 -15.209   9.492  -5.698
    3    H3   GLU   1           3H       GLU   1 -15.663   8.235  -6.671
    4    HA   GLU   1           HA       GLU   1 -17.331  10.597  -6.111
    5    HB2  GLU   1           1HB      GLU   1 -18.915   9.772  -7.484
    6    HB3  GLU   1           2HB      GLU   1 -17.533   9.027  -8.269
    7    HG2  GLU   1           1HG      GLU   1 -19.373   7.601  -6.274
    8    HG3  GLU   1           2HG      GLU   1 -19.522   7.513  -8.030
    9    H    ALA   2           H        ALA   2 -16.304   7.371  -5.042
   10    HA   ALA   2           HA       ALA   2 -17.497   7.865  -2.413
   11    HB1  ALA   2           3HB      ALA   2 -18.273   5.424  -4.116
   12    HB2  ALA   2           1HB      ALA   2 -18.690   5.672  -2.405
   13    HB3  ALA   2           2HB      ALA   2 -19.386   6.736  -3.646
   14    H    ALA   3           H        ALA   3 -16.686   5.760  -1.098
   15    HA   ALA   3           HA       ALA   3 -13.871   5.365  -1.747
   16    HB1  ALA   3           3HB      ALA   3 -14.684   5.375   0.615
   17    HB2  ALA   3           1HB      ALA   3 -15.689   3.944   0.267
   18    HB3  ALA   3           2HB      ALA   3 -13.917   3.824   0.202
   19    H    VAL   4           H        VAL   4 -13.031   3.696  -2.940
   20    HA   VAL   4           HA       VAL   4 -14.936   1.588  -3.886
   21    HB   VAL   4           HB       VAL   4 -13.727   1.641  -6.074
   22   HG11  VAL   4          1HG1      VAL   4 -14.864   4.365  -5.310
   23   HG12  VAL   4          2HG1      VAL   4 -14.773   3.665  -6.940
   24   HG13  VAL   4          3HG1      VAL   4 -15.836   2.933  -5.717
   25   HG21  VAL   4          3HG2      VAL   4 -12.384   4.178  -5.010
   26   HG22  VAL   4          1HG2      VAL   4 -11.567   2.613  -5.262
   27   HG23  VAL   4          2HG2      VAL   4 -12.231   3.502  -6.644
   28    H    CYS   5           H        CYS   5 -12.276   2.016  -1.989
   29    HA   CYS   5           HA       CYS   5 -10.602  -0.075  -3.141
   30    HB2  CYS   5           1HB      CYS   5 -10.505   1.307  -0.434
   31    HB3  CYS   5           2HB      CYS   5  -9.253   0.247  -1.095
   32    H    THR   6           H        THR   6 -10.408  -2.162  -2.516
   33    HA   THR   6           HA       THR   6 -12.446  -3.262  -0.679
   34    HB   THR   6           HB       THR   6 -11.540  -5.421  -1.620
   35    HG1  THR   6           1HG      THR   6 -10.153  -5.094  -3.517
   36   HG21  THR   6          1HG2      THR   6 -12.306  -3.414  -3.777
   37   HG22  THR   6          2HG2      THR   6 -13.466  -4.247  -2.715
   38   HG23  THR   6          3HG2      THR   6 -12.475  -5.181  -3.855
   39    H    THR   7           H        THR   7 -11.615  -5.061   0.782
   40    HA   THR   7           HA       THR   7  -9.174  -4.164   2.178
   41    HB   THR   7           HB       THR   7  -9.887  -5.910   3.859
   42    HG1  THR   7           1HG      THR   7 -11.069  -7.384   2.841
   43   HG21  THR   7          1HG2      THR   7 -12.154  -4.040   3.048
   44   HG22  THR   7          2HG2      THR   7 -10.733  -3.553   4.004
   45   HG23  THR   7          3HG2      THR   7 -11.876  -4.751   4.649
   46    H    GLU   8           H        GLU   8  -9.112  -5.484  -0.507
   47    HA   GLU   8           HA       GLU   8  -8.203  -8.182  -0.140
   48    HB2  GLU   8           1HB      GLU   8  -7.696  -8.217  -2.436
   49    HB3  GLU   8           2HB      GLU   8  -9.132  -7.205  -2.271
   50    HG2  GLU   8           1HG      GLU   8  -7.553  -5.209  -2.328
   51    HG3  GLU   8           2HG      GLU   8  -6.283  -6.335  -2.805
   52    H    TRP   9           H        TRP   9  -6.286  -8.991   0.332
   53    HA   TRP   9           HA       TRP   9  -4.174  -7.319   1.353
   54    HB2  TRP   9           1HB      TRP   9  -4.545  -9.596   2.187
   55    HB3  TRP   9           2HB      TRP   9  -4.276 -10.265   0.575
   56    HD1  TRP   9           HD       TRP   9  -1.916 -11.238   0.258
   57    HE1  TRP   9           1HE      TRP   9   0.386 -10.987   1.275
   58    HE3  TRP   9           3HE      TRP   9  -2.968  -7.345   3.407
   59    HZ2  TRP   9           2HZ      TRP   9   1.659  -9.282   3.164
   60    HZ3  TRP   9           3HZ      TRP   9  -1.106  -6.405   4.778
   61    HH2  TRP   9           HH       TRP   9   1.182  -7.380   4.667
   62    H    ASP  10           H        ASP  10  -3.131  -5.991   0.010
   63    HA   ASP  10           HA       ASP  10  -1.890  -7.138  -2.444
   64    HB2  ASP  10           1HB      ASP  10  -3.944  -5.907  -3.128
   65    HB3  ASP  10           2HB      ASP  10  -3.391  -4.499  -2.226
   66    HA   PRO  11           HA       PRO  11   0.617  -4.746   0.579
   67    HB2  PRO  11           1HB      PRO  11   2.867  -6.343   0.670
   68    HB3  PRO  11           2HB      PRO  11   1.407  -6.605   1.672
   69    HG2  PRO  11           1HG      PRO  11   2.152  -7.929  -0.921
   70    HG3  PRO  11           2HG      PRO  11   1.603  -8.663   0.598
   71    HD2  PRO  11           1HD      PRO  11  -0.104  -8.233  -1.423
   72    HD3  PRO  11           2HD      PRO  11  -0.599  -7.946   0.286
   73    H    VAL  12           H        VAL  12   1.922  -3.150   0.158
   74    HA   VAL  12           HA       VAL  12   3.827  -3.324  -2.116
   75    HB   VAL  12           HB       VAL  12   3.206  -0.979  -2.785
   76   HG11  VAL  12          1HG1      VAL  12   0.874  -2.932  -3.046
   77   HG12  VAL  12          2HG1      VAL  12   1.241  -1.564  -4.117
   78   HG13  VAL  12          3HG1      VAL  12   2.340  -2.954  -4.050
   79   HG21  VAL  12          3HG2      VAL  12   2.062  -0.315  -0.673
   80   HG22  VAL  12          1HG2      VAL  12   1.057  -0.025  -2.103
   81   HG23  VAL  12          2HG2      VAL  12   0.724  -1.424  -1.059
   82    H    CYS  13           H        CYS  13   5.527  -1.678  -1.833
   83    HA   CYS  13           HA       CYS  13   5.808  -0.925   1.059
   84    HB2  CYS  13           1HB      CYS  13   7.361  -2.719   0.180
   85    HB3  CYS  13           2HB      CYS  13   7.979  -1.523  -0.963
   86    H    GLY  14           H        GLY  14   5.783   1.227   1.373
   87    HA2  GLY  14           1HA      GLY  14   5.864   3.010  -0.947
   88    HA3  GLY  14           2HA      GLY  14   5.671   3.483   0.751
   89    H    LYS  15           H        LYS  15   7.298   5.017  -0.855
   90    HA   LYS  15           HA       LYS  15  10.053   4.185  -0.810
   91    HB2  LYS  15           1HB      LYS  15   8.845   6.964  -0.934
   92    HB3  LYS  15           2HB      LYS  15  10.555   6.584  -1.175
   93    HG2  LYS  15           1HG      LYS  15   9.832   5.025  -3.056
   94    HG3  LYS  15           2HG      LYS  15   8.222   5.709  -2.895
   95    HD2  LYS  15           1HD      LYS  15   9.111   6.987  -4.604
   96    HD3  LYS  15           2HD      LYS  15   9.411   8.007  -3.185
   97    HE2  LYS  15           1HE      LYS  15  11.428   7.990  -4.501
   98    HE3  LYS  15           2HE      LYS  15  11.741   6.995  -3.065
   99    HZ1  LYS  15           3HZ      LYS  15  11.408   5.018  -4.387
  100    HZ2  LYS  15           1HZ      LYS  15  12.520   5.966  -5.146
  101    HZ3  LYS  15           2HZ      LYS  15  10.973   5.898  -5.714
  102    H    ASP  16           H        ASP  16   8.058   5.154   1.764
  103    HA   ASP  16           HA       ASP  16  10.236   6.108   3.475
  104    HB2  ASP  16           1HB      ASP  16   7.379   5.235   4.063
  105    HB3  ASP  16           2HB      ASP  16   8.517   5.775   5.307
  106    H    GLY  17           H        GLY  17   9.617   3.150   2.118
  107    HA2  GLY  17           1HA      GLY  17  10.714   1.167   2.529
  108    HA3  GLY  17           2HA      GLY  17  11.341   1.838   4.038
  109    H    LYS  18           H        LYS  18   7.881   1.973   3.653
  110    HA   LYS  18           HA       LYS  18   7.693  -0.345   5.534
  111    HB2  LYS  18           1HB      LYS  18   6.001   2.176   5.590
  112    HB3  LYS  18           2HB      LYS  18   5.924   0.830   6.731
  113    HG2  LYS  18           1HG      LYS  18   8.269   2.752   6.380
  114    HG3  LYS  18           2HG      LYS  18   7.109   2.765   7.708
  115    HD2  LYS  18           1HD      LYS  18   8.223   1.140   8.843
  116    HD3  LYS  18           2HD      LYS  18   8.404   0.134   7.405
  117    HE2  LYS  18           1HE      LYS  18  10.193   1.993   6.728
  118    HE3  LYS  18           2HE      LYS  18  10.249   2.243   8.485
  119    HZ1  LYS  18           3HZ      LYS  18  11.860   0.587   7.822
  120    HZ2  LYS  18           1HZ      LYS  18  10.721  -0.318   7.041
  121    HZ3  LYS  18           2HZ      LYS  18  10.674  -0.182   8.675
  122    H    THR  19           H        THR  19   5.924  -1.641   5.502
  123    HA   THR  19           HA       THR  19   4.672  -1.954   2.903
  124    HB   THR  19           HB       THR  19   4.208  -3.442   5.535
  125    HG1  THR  19           1HG      THR  19   6.087  -4.266   5.058
  126   HG21  THR  19          1HG2      THR  19   3.487  -4.151   2.655
  127   HG22  THR  19          2HG2      THR  19   2.352  -3.867   3.998
  128   HG23  THR  19          3HG2      THR  19   3.418  -5.280   4.028
  129    H    TYR  20           H        TYR  20   2.683  -1.487   2.270
  130    HA   TYR  20           HA       TYR  20   0.687  -0.628   4.340
  131    HB2  TYR  20           1HB      TYR  20   1.081   0.242   1.465
  132    HB3  TYR  20           2HB      TYR  20  -0.420   0.518   2.367
  133    HD1  TYR  20           2HD      TYR  20   3.246   1.313   2.322
  134    HD2  TYR  20           1HD      TYR  20  -0.590   2.212   4.046
  135    HE1  TYR  20           2HE      TYR  20   4.215   3.324   3.421
  136    HE2  TYR  20           1HE      TYR  20   0.394   4.218   5.158
  137    HH   TYR  20           HH       TYR  20   2.272   5.490   5.481
  138    H    SER  21           H        SER  21  -1.205  -1.779   4.335
  139    HA   SER  21           HA       SER  21  -0.980  -4.451   3.486
  140    HB2  SER  21           1HB      SER  21  -3.489  -4.504   4.063
  141    HB3  SER  21           2HB      SER  21  -2.359  -3.996   5.339
  142    HG   SER  21           HG       SER  21  -4.047  -2.537   5.275
  143    H    ASN  22           H        ASN  22  -3.207  -1.949   2.160
  144    HA   ASN  22           HA       ASN  22  -2.989  -3.424  -0.409
  145    HB2  ASN  22           1HB      ASN  22  -5.123  -2.466  -1.151
  146    HB3  ASN  22           2HB      ASN  22  -5.296  -3.537   0.236
  147   HD21  ASN  22          2HD2      ASN  22  -7.349  -2.516   0.596
  148   HD22  ASN  22          1HD2      ASN  22  -7.390  -0.972   1.415
  149    H    LEU  23           H        LEU  23  -3.069  -1.990  -2.351
  150    HA   LEU  23           HA       LEU  23  -1.159   0.133  -2.206
  151    HB2  LEU  23           1HB      LEU  23  -1.646  -1.191  -4.222
  152    HB3  LEU  23           2HB      LEU  23  -3.280  -0.540  -4.271
  153    HG   LEU  23           HG       LEU  23  -2.381   1.705  -4.775
  154   HD11  LEU  23          1HD1      LEU  23   0.312   0.301  -4.910
  155   HD12  LEU  23          2HD1      LEU  23  -0.167   1.532  -3.721
  156   HD13  LEU  23          3HD1      LEU  23  -0.022   1.967  -5.432
  157   HD21  LEU  23          3HD2      LEU  23  -3.042   0.165  -6.571
  158   HD22  LEU  23          1HD2      LEU  23  -1.398  -0.516  -6.609
  159   HD23  LEU  23          2HD2      LEU  23  -1.677   1.180  -7.076
  160    H    CYS  24           H        CYS  24  -4.632   0.066  -1.696
  161    HA   CYS  24           HA       CYS  24  -5.178   2.810  -2.230
  162    HB2  CYS  24           1HB      CYS  24  -6.863   0.972  -1.915
  163    HB3  CYS  24           2HB      CYS  24  -6.531   1.027  -0.181
  164    H    TRP  25           H        TRP  25  -4.244   1.149   0.865
  165    HA   TRP  25           HA       TRP  25  -4.307   3.609   2.353
  166    HB2  TRP  25           1HB      TRP  25  -2.902   0.971   2.876
  167    HB3  TRP  25           2HB      TRP  25  -2.882   2.343   3.997
  168    HD1  TRP  25           HD       TRP  25  -4.738  -0.721   3.547
  169    HE1  TRP  25           1HE      TRP  25  -7.036  -0.701   4.635
  170    HE3  TRP  25           3HE      TRP  25  -5.108   4.324   4.306
  171    HZ2  TRP  25           2HZ      TRP  25  -8.835   1.252   5.677
  172    HZ3  TRP  25           3HZ      TRP  25  -7.186   5.226   5.371
  173    HH2  TRP  25           HH       TRP  25  -9.031   3.688   6.045
  174    H    LEU  26           H        LEU  26  -1.822   2.100   0.336
  175    HA   LEU  26           HA       LEU  26   0.352   3.762   1.215
  176    HB2  LEU  26           1HB      LEU  26   0.589   1.746  -0.188
  177    HB3  LEU  26           2HB      LEU  26  -0.253   2.527  -1.492
  178    HG   LEU  26           HG       LEU  26   2.266   2.211  -1.648
  179   HD11  LEU  26          1HD1      LEU  26   0.897   3.542  -3.225
  180   HD12  LEU  26          2HD1      LEU  26   2.532   4.194  -3.004
  181   HD13  LEU  26          3HD1      LEU  26   1.156   4.977  -2.207
  182   HD21  LEU  26          3HD2      LEU  26   2.872   3.114   0.528
  183   HD22  LEU  26          1HD2      LEU  26   2.264   4.712   0.038
  184   HD23  LEU  26          2HD2      LEU  26   3.650   3.997  -0.802
  185    H    ASN  27           H        ASN  27  -2.144   4.127  -1.332
  186    HA   ASN  27           HA       ASN  27  -1.285   6.686  -2.258
  187    HB2  ASN  27           1HB      ASN  27  -2.896   5.170  -3.433
  188    HB3  ASN  27           2HB      ASN  27  -4.109   5.553  -2.204
  189   HD21  ASN  27          2HD2      ASN  27  -5.306   7.384  -2.377
  190   HD22  ASN  27          1HD2      ASN  27  -5.066   8.561  -3.646
  191    H    GLU  28           H        GLU  28  -3.659   5.777   0.290
  192    HA   GLU  28           HA       GLU  28  -4.460   8.503   0.757
  193    HB2  GLU  28           1HB      GLU  28  -4.613   6.093   2.607
  194    HB3  GLU  28           2HB      GLU  28  -5.402   7.650   2.881
  195    HG2  GLU  28           1HG      GLU  28  -6.003   5.639   0.709
  196    HG3  GLU  28           2HG      GLU  28  -7.062   6.170   2.010
  197    H    ALA  29           H        ALA  29  -1.735   6.608   1.915
  198    HA   ALA  29           HA       ALA  29  -1.130   8.472   4.083
  199    HB1  ALA  29           3HB      ALA  29   0.467   6.245   2.773
  200    HB2  ALA  29           1HB      ALA  29   0.982   7.164   4.210
  201    HB3  ALA  29           2HB      ALA  29  -0.478   6.148   4.276
  202    H    GLY  30           H        GLY  30  -0.698   8.441   0.665
  203    HA2  GLY  30           1HA      GLY  30   0.124  10.153  -0.640
  204    HA3  GLY  30           2HA      GLY  30   0.598  11.021   0.824
  205    H    VAL  31           H        VAL  31   1.819   7.784   0.473
  206    HA   VAL  31           HA       VAL  31   4.518   8.940   0.039
  207    HB   VAL  31           HB       VAL  31   4.183   5.995   0.432
  208   HG11  VAL  31          1HG1      VAL  31   6.046   8.058   1.661
  209   HG12  VAL  31          2HG1      VAL  31   6.174   6.293   1.835
  210   HG13  VAL  31          3HG1      VAL  31   6.396   7.039   0.242
  211   HG21  VAL  31          3HG2      VAL  31   4.034   6.279   2.931
  212   HG22  VAL  31          1HG2      VAL  31   3.569   7.974   2.650
  213   HG23  VAL  31          2HG2      VAL  31   2.550   6.641   2.042
  214    H    GLY  32           H        GLY  32   5.724   8.393  -1.747
  215    HA2  GLY  32           1HA      GLY  32   4.349   7.314  -4.059
  216    HA3  GLY  32           2HA      GLY  32   6.097   7.636  -3.925
  217    H    LEU  33           H        LEU  33   4.856   5.257  -5.084
  218    HA   LEU  33           HA       LEU  33   5.284   3.087  -3.144
  219    HB2  LEU  33           1HB      LEU  33   3.572   2.950  -4.928
  220    HB3  LEU  33           2HB      LEU  33   4.825   3.093  -6.155
  221    HG   LEU  33           HG       LEU  33   5.170   0.838  -4.247
  222   HD11  LEU  33          1HD1      LEU  33   2.740   0.827  -4.521
  223   HD12  LEU  33          2HD1      LEU  33   3.476  -0.544  -5.372
  224   HD13  LEU  33          3HD1      LEU  33   2.921   0.876  -6.292
  225   HD21  LEU  33          3HD2      LEU  33   6.641   1.172  -6.239
  226   HD22  LEU  33          1HD2      LEU  33   5.224   0.999  -7.297
  227   HD23  LEU  33          2HD2      LEU  33   5.770  -0.370  -6.300
  228    H    ASP  34           H        ASP  34   7.119   1.779  -3.051
  229    HA   ASP  34           HA       ASP  34   9.373   2.562  -4.881
  230    HB2  ASP  34           1HB      ASP  34   9.504   2.862  -2.268
  231    HB3  ASP  34           2HB      ASP  34   9.807   1.129  -2.265
  232    H    HIS  35           H        HIS  35   8.157  -0.196  -2.890
  233    HA   HIS  35           HA       HIS  35   8.914  -1.985  -5.174
  234    HB2  HIS  35           1HB      HIS  35   8.464  -2.964  -2.357
  235    HB3  HIS  35           2HB      HIS  35   9.296  -3.777  -3.677
  236    HD1  HIS  35           1HD      HIS  35  10.513  -3.187  -0.749
  237    HD2  HIS  35           2HD      HIS  35  11.304  -1.011  -4.231
  238    HE1  HIS  35           1HE      HIS  35  12.703  -1.954  -0.362
  239    H    GLU  36           H        GLU  36   7.470  -3.733  -5.650
  240    HA   GLU  36           HA       GLU  36   4.705  -3.424  -4.533
  241    HB2  GLU  36           1HB      GLU  36   5.786  -5.114  -6.834
  242    HB3  GLU  36           2HB      GLU  36   4.133  -5.196  -6.209
  243    HG2  GLU  36           1HG      GLU  36   3.823  -2.792  -6.803
  244    HG3  GLU  36           2HG      GLU  36   5.438  -2.789  -7.528
  245    H    GLY  37           H        GLY  37   3.971  -5.301  -3.297
  246    HA2  GLY  37           1HA      GLY  37   4.368  -7.312  -2.126
  247    HA3  GLY  37           2HA      GLY  37   6.076  -7.279  -2.610
  248    H    GLU  38           H        GLU  38   5.445  -7.769  -0.006
  249    HA   GLU  38           HA       GLU  38   5.401  -5.294   1.544
  250    HB2  GLU  38           1HB      GLU  38   5.803  -7.064   3.444
  251    HB3  GLU  38           2HB      GLU  38   4.231  -6.915   2.663
  252    HG2  GLU  38           1HG      GLU  38   4.584  -8.873   1.344
  253    HG3  GLU  38           2HG      GLU  38   6.283  -8.946   1.803
  254    H    CYS  39           H        CYS  39   6.926  -4.892   3.282
  255    HA   CYS  39           HA       CYS  39   9.714  -5.816   2.917
  256    HB2  CYS  39           1HB      CYS  39  10.513  -3.465   2.848
  257    HB3  CYS  39           2HB      CYS  39   9.542  -3.872   1.426
  258    H    LEU  40           H        LEU  40  10.915  -4.243   4.814
  259    HA   LEU  40           HA       LEU  40   9.132  -4.499   7.198
  260    HB2  LEU  40           1HB      LEU  40  10.943  -6.212   7.023
  261    HB3  LEU  40           2HB      LEU  40  12.137  -4.931   7.008
  262    HG   LEU  40           HG       LEU  40  11.865  -6.238   9.142
  263   HD11  LEU  40          1HD1      LEU  40  11.448  -3.254   9.475
  264   HD12  LEU  40          2HD1      LEU  40  12.990  -4.019   9.033
  265   HD13  LEU  40          3HD1      LEU  40  12.242  -4.371  10.604
  266   HD21  LEU  40          3HD2      LEU  40   9.359  -4.558   9.506
  267   HD22  LEU  40          1HD2      LEU  40  10.060  -5.717  10.659
  268   HD23  LEU  40          2HD2      LEU  40   9.373  -6.298   9.128
  Start of MODEL   16
    1    H1   GLU   1           1H       GLU   1 -12.727  10.834  -2.802
    2    H2   GLU   1           2H       GLU   1 -13.268   9.323  -2.429
    3    H3   GLU   1           3H       GLU   1 -13.127  10.465  -1.241
    4    HA   GLU   1           HA       GLU   1 -10.725  10.521  -1.531
    5    HB2  GLU   1           1HB      GLU   1 -12.340   8.337  -0.498
    6    HB3  GLU   1           2HB      GLU   1 -10.807   7.714  -1.107
    7    HG2  GLU   1           1HG      GLU   1 -10.491   8.177   1.207
    8    HG3  GLU   1           2HG      GLU   1  -9.623   9.436   0.315
    9    H    ALA   2           H        ALA   2  -8.815   9.408  -2.460
   10    HA   ALA   2           HA       ALA   2  -9.304   8.757  -5.273
   11    HB1  ALA   2           3HB      ALA   2  -6.744   8.864  -3.616
   12    HB2  ALA   2           1HB      ALA   2  -6.826   8.654  -5.381
   13    HB3  ALA   2           2HB      ALA   2  -7.392  10.169  -4.641
   14    H    ALA   3           H        ALA   3  -9.187   7.037  -2.341
   15    HA   ALA   3           HA       ALA   3  -8.026   4.590  -3.298
   16    HB1  ALA   3           3HB      ALA   3  -8.073   5.172  -0.897
   17    HB2  ALA   3           1HB      ALA   3  -9.854   5.138  -0.913
   18    HB3  ALA   3           2HB      ALA   3  -8.937   3.643  -1.193
   19    H    VAL   4           H        VAL   4  -8.963   3.827  -5.107
   20    HA   VAL   4           HA       VAL   4 -11.888   3.211  -5.092
   21    HB   VAL   4           HB       VAL   4 -11.582   2.833  -7.546
   22   HG11  VAL   4          1HG1      VAL   4 -12.264   5.062  -6.679
   23   HG12  VAL   4          2HG1      VAL   4 -10.556   5.560  -6.637
   24   HG13  VAL   4          3HG1      VAL   4 -11.336   5.182  -8.189
   25   HG21  VAL   4          3HG2      VAL   4  -9.496   3.478  -8.677
   26   HG22  VAL   4          1HG2      VAL   4  -8.737   3.908  -7.131
   27   HG23  VAL   4          2HG2      VAL   4  -9.143   2.208  -7.492
   28    H    CYS   5           H        CYS   5  -9.085   1.963  -4.122
   29    HA   CYS   5           HA       CYS   5  -9.145  -0.686  -5.351
   30    HB2  CYS   5           1HB      CYS   5  -7.317  -1.037  -3.574
   31    HB3  CYS   5           2HB      CYS   5  -7.001   0.187  -4.821
   32    H    THR   6           H        THR   6  -9.285  -2.650  -4.064
   33    HA   THR   6           HA       THR   6 -11.514  -2.547  -2.160
   34    HB   THR   6           HB       THR   6 -11.241  -5.056  -2.312
   35    HG1  THR   6           1HG      THR   6  -9.774  -5.738  -4.019
   36   HG21  THR   6          1HG2      THR   6 -12.721  -3.816  -3.904
   37   HG22  THR   6          2HG2      THR   6 -12.003  -5.279  -4.612
   38   HG23  THR   6          3HG2      THR   6 -11.345  -3.681  -5.027
   39    H    THR   7           H        THR   7 -11.307  -4.026  -0.186
   40    HA   THR   7           HA       THR   7  -8.903  -3.262   1.280
   41    HB   THR   7           HB       THR   7 -10.144  -4.354   3.215
   42    HG1  THR   7           1HG      THR   7 -12.236  -5.066   2.774
   43   HG21  THR   7          1HG2      THR   7 -10.442  -1.922   2.656
   44   HG22  THR   7          2HG2      THR   7 -11.885  -2.663   3.381
   45   HG23  THR   7          3HG2      THR   7 -11.828  -2.367   1.631
   46    H    GLU   8           H        GLU   8  -9.142  -5.375  -0.838
   47    HA   GLU   8           HA       GLU   8  -8.446  -7.920   0.295
   48    HB2  GLU   8           1HB      GLU   8  -8.031  -6.675  -2.433
   49    HB3  GLU   8           2HB      GLU   8  -7.433  -8.291  -2.033
   50    HG2  GLU   8           1HG      GLU   8  -9.652  -9.089  -1.573
   51    HG3  GLU   8           2HG      GLU   8 -10.319  -7.464  -1.738
   52    H    TRP   9           H        TRP   9  -6.616  -8.677   1.054
   53    HA   TRP   9           HA       TRP   9  -4.376  -7.121   1.783
   54    HB2  TRP   9           1HB      TRP   9  -4.711  -9.307   2.751
   55    HB3  TRP   9           2HB      TRP   9  -4.710 -10.082   1.165
   56    HD1  TRP   9           HD       TRP   9  -2.432 -11.089   0.379
   57    HE1  TRP   9           1HE      TRP   9  -0.031 -11.110   1.169
   58    HE3  TRP   9           3HE      TRP   9  -2.855  -7.476   3.971
   59    HZ2  TRP   9           2HZ      TRP   9   1.564  -9.693   3.065
   60    HZ3  TRP   9           3HZ      TRP   9  -0.794  -6.807   5.213
   61    HH2  TRP   9           HH       TRP   9   1.389  -7.918   4.769
   62    H    ASP  10           H        ASP  10  -3.249  -5.911   0.473
   63    HA   ASP  10           HA       ASP  10  -2.184  -7.077  -2.067
   64    HB2  ASP  10           1HB      ASP  10  -4.249  -5.715  -2.539
   65    HB3  ASP  10           2HB      ASP  10  -3.482  -4.334  -1.756
   66    HA   PRO  11           HA       PRO  11   0.602  -4.945   0.927
   67    HB2  PRO  11           1HB      PRO  11   2.788  -6.608   0.626
   68    HB3  PRO  11           2HB      PRO  11   1.461  -6.880   1.792
   69    HG2  PRO  11           1HG      PRO  11   1.820  -8.076  -0.945
   70    HG3  PRO  11           2HG      PRO  11   1.412  -8.875   0.589
   71    HD2  PRO  11           1HD      PRO  11  -0.485  -8.264  -1.176
   72    HD3  PRO  11           2HD      PRO  11  -0.756  -8.013   0.592
   73    H    VAL  12           H        VAL  12   1.825  -3.320   0.492
   74    HA   VAL  12           HA       VAL  12   3.478  -3.262  -1.977
   75    HB   VAL  12           HB       VAL  12   2.643  -0.869  -2.332
   76   HG11  VAL  12          1HG1      VAL  12   0.721  -1.527  -3.686
   77   HG12  VAL  12          2HG1      VAL  12   1.991  -2.759  -3.814
   78   HG13  VAL  12          3HG1      VAL  12   0.569  -3.052  -2.787
   79   HG21  VAL  12          3HG2      VAL  12   0.279  -1.806  -0.647
   80   HG22  VAL  12          1HG2      VAL  12   1.501  -0.620  -0.130
   81   HG23  VAL  12          2HG2      VAL  12   0.437  -0.257  -1.499
   82    H    CYS  13           H        CYS  13   5.136  -1.628  -1.804
   83    HA   CYS  13           HA       CYS  13   5.612  -0.778   1.030
   84    HB2  CYS  13           1HB      CYS  13   6.925  -2.778   0.296
   85    HB3  CYS  13           2HB      CYS  13   7.621  -1.792  -0.985
   86    H    GLY  14           H        GLY  14   5.814   1.338   1.229
   87    HA2  GLY  14           1HA      GLY  14   5.790   2.985  -1.176
   88    HA3  GLY  14           2HA      GLY  14   5.725   3.545   0.499
   89    H    LYS  15           H        LYS  15   7.143   5.096  -1.056
   90    HA   LYS  15           HA       LYS  15   9.914   4.376  -1.400
   91    HB2  LYS  15           1HB      LYS  15   8.531   7.069  -1.173
   92    HB3  LYS  15           2HB      LYS  15  10.239   6.863  -1.572
   93    HG2  LYS  15           1HG      LYS  15   9.564   5.465  -3.540
   94    HG3  LYS  15           2HG      LYS  15   7.883   5.855  -3.188
   95    HD2  LYS  15           1HD      LYS  15   8.500   8.299  -3.376
   96    HD3  LYS  15           2HD      LYS  15  10.087   7.774  -3.970
   97    HE2  LYS  15           1HE      LYS  15   7.367   7.219  -5.233
   98    HE3  LYS  15           2HE      LYS  15   8.628   8.289  -5.862
   99    HZ1  LYS  15           3HZ      LYS  15   8.751   6.276  -7.060
  100    HZ2  LYS  15           1HZ      LYS  15   8.675   5.334  -5.711
  101    HZ3  LYS  15           2HZ      LYS  15  10.035   6.225  -6.027
  102    H    ASP  16           H        ASP  16   8.102   5.373   1.360
  103    HA   ASP  16           HA       ASP  16  10.342   6.237   2.977
  104    HB2  ASP  16           1HB      ASP  16   7.566   5.194   3.679
  105    HB3  ASP  16           2HB      ASP  16   8.717   5.828   4.864
  106    H    GLY  17           H        GLY  17   9.503   3.185   1.751
  107    HA2  GLY  17           1HA      GLY  17  10.429   1.107   2.282
  108    HA3  GLY  17           2HA      GLY  17  11.112   1.781   3.773
  109    H    LYS  18           H        LYS  18   8.114   2.897   3.905
  110    HA   LYS  18           HA       LYS  18   7.247   0.997   5.887
  111    HB2  LYS  18           1HB      LYS  18   5.799   3.266   4.478
  112    HB3  LYS  18           2HB      LYS  18   5.136   2.372   5.852
  113    HG2  LYS  18           1HG      LYS  18   6.847   3.217   7.327
  114    HG3  LYS  18           2HG      LYS  18   7.755   3.901   5.966
  115    HD2  LYS  18           1HD      LYS  18   5.815   5.386   5.459
  116    HD3  LYS  18           2HD      LYS  18   5.014   4.802   6.931
  117    HE2  LYS  18           1HE      LYS  18   6.687   5.776   8.337
  118    HE3  LYS  18           2HE      LYS  18   7.804   5.999   6.972
  119    HZ1  LYS  18           3HZ      LYS  18   6.715   8.077   7.606
  120    HZ2  LYS  18           1HZ      LYS  18   5.231   7.441   7.262
  121    HZ3  LYS  18           2HZ      LYS  18   6.342   7.657   6.053
  122    H    THR  19           H        THR  19   6.180  -0.818   5.660
  123    HA   THR  19           HA       THR  19   5.000  -1.602   3.086
  124    HB   THR  19           HB       THR  19   5.177  -3.004   5.799
  125    HG1  THR  19           1HG      THR  19   6.878  -4.084   4.865
  126   HG21  THR  19          1HG2      THR  19   4.255  -4.017   3.086
  127   HG22  THR  19          2HG2      THR  19   3.287  -3.909   4.576
  128   HG23  THR  19          3HG2      THR  19   4.637  -5.052   4.485
  129    H    TYR  20           H        TYR  20   2.887  -1.472   2.597
  130    HA   TYR  20           HA       TYR  20   0.973  -0.898   4.832
  131    HB2  TYR  20           1HB      TYR  20   0.956   0.011   1.946
  132    HB3  TYR  20           2HB      TYR  20  -0.431   0.156   3.032
  133    HD1  TYR  20           1HD      TYR  20  -0.386   1.698   4.955
  134    HD2  TYR  20           2HD      TYR  20   2.964   1.419   2.278
  135    HE1  TYR  20           1HE      TYR  20   0.548   3.811   5.898
  136    HE2  TYR  20           2HE      TYR  20   3.885   3.535   3.215
  137    HH   TYR  20           HH       TYR  20   3.548   5.280   4.673
  138    H    SER  21           H        SER  21  -0.867  -2.140   4.929
  139    HA   SER  21           HA       SER  21  -0.569  -4.798   3.977
  140    HB2  SER  21           1HB      SER  21  -2.976  -5.004   4.851
  141    HB3  SER  21           2HB      SER  21  -1.735  -4.464   6.005
  142    HG   SER  21           HG       SER  21  -3.470  -3.093   6.201
  143    H    ASN  22           H        ASN  22  -3.100  -2.394   3.070
  144    HA   ASN  22           HA       ASN  22  -3.143  -3.745   0.415
  145    HB2  ASN  22           1HB      ASN  22  -5.419  -2.833   0.049
  146    HB3  ASN  22           2HB      ASN  22  -5.320  -4.052   1.317
  147   HD21  ASN  22          2HD2      ASN  22  -6.856  -3.557   2.721
  148   HD22  ASN  22          1HD2      ASN  22  -7.071  -1.979   3.448
  149    H    LEU  23           H        LEU  23  -3.641  -2.279  -1.398
  150    HA   LEU  23           HA       LEU  23  -1.796  -0.123  -1.533
  151    HB2  LEU  23           1HB      LEU  23  -2.655  -1.437  -3.445
  152    HB3  LEU  23           2HB      LEU  23  -4.250  -0.737  -3.210
  153    HG   LEU  23           HG       LEU  23  -3.348   1.498  -3.809
  154   HD11  LEU  23          1HD1      LEU  23  -1.127   1.653  -4.889
  155   HD12  LEU  23          2HD1      LEU  23  -0.795  -0.038  -4.449
  156   HD13  LEU  23          3HD1      LEU  23  -0.985   1.197  -3.182
  157   HD21  LEU  23          3HD2      LEU  23  -4.407   0.051  -5.482
  158   HD22  LEU  23          1HD2      LEU  23  -2.842  -0.721  -5.828
  159   HD23  LEU  23          2HD2      LEU  23  -3.096   1.000  -6.211
  160    H    CYS  24           H        CYS  24  -5.171  -0.230  -0.480
  161    HA   CYS  24           HA       CYS  24  -5.718   2.534  -0.914
  162    HB2  CYS  24           1HB      CYS  24  -6.928   0.780   1.235
  163    HB3  CYS  24           2HB      CYS  24  -7.638   2.209   0.477
  164    H    TRP  25           H        TRP  25  -4.363   0.788   1.935
  165    HA   TRP  25           HA       TRP  25  -4.267   3.171   3.556
  166    HB2  TRP  25           1HB      TRP  25  -2.712   0.569   3.651
  167    HB3  TRP  25           2HB      TRP  25  -2.467   1.892   4.801
  168    HD1  TRP  25           HD       TRP  25  -4.466  -1.145   4.465
  169    HE1  TRP  25           1HE      TRP  25  -6.395  -1.234   6.125
  170    HE3  TRP  25           3HE      TRP  25  -4.374   3.760   5.900
  171    HZ2  TRP  25           2HZ      TRP  25  -7.759   0.596   7.837
  172    HZ3  TRP  25           3HZ      TRP  25  -6.054   4.550   7.583
  173    HH2  TRP  25           HH       TRP  25  -7.729   2.965   8.535
  174    H    LEU  26           H        LEU  26  -2.051   1.772   1.146
  175    HA   LEU  26           HA       LEU  26   0.135   3.571   1.664
  176    HB2  LEU  26           1HB      LEU  26   0.295   1.512   0.332
  177    HB3  LEU  26           2HB      LEU  26  -0.766   2.171  -0.876
  178    HG   LEU  26           HG       LEU  26   1.650   1.972  -1.468
  179   HD11  LEU  26          1HD1      LEU  26   1.711   3.939  -2.820
  180   HD12  LEU  26          2HD1      LEU  26   0.583   4.790  -1.753
  181   HD13  LEU  26          3HD1      LEU  26   0.022   3.401  -2.717
  182   HD21  LEU  26          3HD2      LEU  26   2.651   2.760   0.572
  183   HD22  LEU  26          1HD2      LEU  26   1.952   4.375   0.321
  184   HD23  LEU  26          2HD2      LEU  26   3.169   3.745  -0.807
  185    H    ASN  27           H        ASN  27  -2.688   3.714  -0.530
  186    HA   ASN  27           HA       ASN  27  -2.050   6.232  -1.706
  187    HB2  ASN  27           1HB      ASN  27  -3.697   4.675  -2.660
  188    HB3  ASN  27           2HB      ASN  27  -4.742   4.885  -1.248
  189   HD21  ASN  27          2HD2      ASN  27  -3.119   6.829  -3.763
  190   HD22  ASN  27          1HD2      ASN  27  -4.446   7.943  -3.962
  191    H    GLU  28           H        GLU  28  -4.062   5.439   1.166
  192    HA   GLU  28           HA       GLU  28  -4.883   8.169   1.586
  193    HB2  GLU  28           1HB      GLU  28  -4.722   5.767   3.436
  194    HB3  GLU  28           2HB      GLU  28  -5.372   7.329   3.936
  195    HG2  GLU  28           1HG      GLU  28  -6.474   5.584   1.703
  196    HG3  GLU  28           2HG      GLU  28  -7.169   5.775   3.317
  197    H    ALA  29           H        ALA  29  -2.001   6.348   2.529
  198    HA   ALA  29           HA       ALA  29  -1.146   8.351   4.467
  199    HB1  ALA  29           3HB      ALA  29   0.311   6.041   3.128
  200    HB2  ALA  29           1HB      ALA  29   0.962   7.032   4.457
  201    HB3  ALA  29           2HB      ALA  29  -0.479   6.021   4.719
  202    H    GLY  30           H        GLY  30  -1.064   8.083   1.027
  203    HA2  GLY  30           1HA      GLY  30  -0.371   9.669  -0.487
  204    HA3  GLY  30           2HA      GLY  30   0.227  10.657   0.847
  205    H    VAL  31           H        VAL  31   1.602   7.523   0.917
  206    HA   VAL  31           HA       VAL  31   4.176   8.653   0.195
  207    HB   VAL  31           HB       VAL  31   3.817   5.685   0.489
  208   HG11  VAL  31          1HG1      VAL  31   5.861   7.652   1.580
  209   HG12  VAL  31          2HG1      VAL  31   5.944   5.880   1.700
  210   HG13  VAL  31          3HG1      VAL  31   6.040   6.665   0.111
  211   HG21  VAL  31          3HG2      VAL  31   2.387   6.290   2.263
  212   HG22  VAL  31          1HG2      VAL  31   3.959   5.965   3.003
  213   HG23  VAL  31          2HG2      VAL  31   3.439   7.646   2.763
  214    H    GLY  32           H        GLY  32   5.257   8.319  -1.654
  215    HA2  GLY  32           1HA      GLY  32   3.842   7.343  -3.980
  216    HA3  GLY  32           2HA      GLY  32   5.579   7.734  -3.897
  217    H    LEU  33           H        LEU  33   4.198   5.359  -5.099
  218    HA   LEU  33           HA       LEU  33   4.782   3.085  -3.388
  219    HB2  LEU  33           1HB      LEU  33   3.100   3.078  -5.227
  220    HB3  LEU  33           2HB      LEU  33   4.393   3.319  -6.397
  221    HG   LEU  33           HG       LEU  33   5.326   1.087  -5.801
  222   HD11  LEU  33          1HD1      LEU  33   2.809   0.876  -4.103
  223   HD12  LEU  33          2HD1      LEU  33   4.489   0.842  -3.519
  224   HD13  LEU  33          3HD1      LEU  33   3.878  -0.480  -4.524
  225   HD21  LEU  33          3HD2      LEU  33   3.787   1.371  -7.702
  226   HD22  LEU  33          1HD2      LEU  33   2.396   1.092  -6.627
  227   HD23  LEU  33          2HD2      LEU  33   3.571  -0.210  -6.929
  228    H    ASP  34           H        ASP  34   6.623   1.708  -3.452
  229    HA   ASP  34           HA       ASP  34   8.810   2.590  -5.325
  230    HB2  ASP  34           1HB      ASP  34   9.148   3.143  -2.842
  231    HB3  ASP  34           2HB      ASP  34   9.294   1.409  -2.558
  232    H    HIS  35           H        HIS  35   7.838  -0.119  -3.119
  233    HA   HIS  35           HA       HIS  35   8.589  -1.945  -5.339
  234    HB2  HIS  35           1HB      HIS  35   8.438  -2.778  -2.484
  235    HB3  HIS  35           2HB      HIS  35   9.202  -3.608  -3.832
  236    HD1  HIS  35           1HD      HIS  35  11.283  -1.967  -4.963
  237    HD2  HIS  35           2HD      HIS  35  10.201  -1.413  -0.981
  238    HE1  HIS  35           1HE      HIS  35  13.206  -0.726  -3.857
  239    H    GLU  36           H        GLU  36   7.195  -3.528  -6.021
  240    HA   GLU  36           HA       GLU  36   4.421  -3.447  -4.974
  241    HB2  GLU  36           1HB      GLU  36   5.806  -5.170  -7.090
  242    HB3  GLU  36           2HB      GLU  36   4.092  -5.260  -6.676
  243    HG2  GLU  36           1HG      GLU  36   4.202  -3.978  -8.668
  244    HG3  GLU  36           2HG      GLU  36   3.900  -2.813  -7.373
  245    H    GLY  37           H        GLY  37   3.725  -5.102  -3.528
  246    HA2  GLY  37           1HA      GLY  37   4.000  -7.106  -2.302
  247    HA3  GLY  37           2HA      GLY  37   5.692  -7.215  -2.836
  248    H    GLU  38           H        GLU  38   5.230  -7.568  -0.206
  249    HA   GLU  38           HA       GLU  38   5.364  -5.016   1.226
  250    HB2  GLU  38           1HB      GLU  38   5.814  -6.720   3.181
  251    HB3  GLU  38           2HB      GLU  38   4.199  -6.530   2.506
  252    HG2  GLU  38           1HG      GLU  38   4.387  -8.575   1.255
  253    HG3  GLU  38           2HG      GLU  38   6.091  -8.734   1.670
  254    H    CYS  39           H        CYS  39   7.064  -4.529   2.758
  255    HA   CYS  39           HA       CYS  39   9.760  -5.577   1.968
  256    HB2  CYS  39           1HB      CYS  39   8.901  -2.966   3.303
  257    HB3  CYS  39           2HB      CYS  39  10.569  -3.537   3.239
  258    H    LEU  40           H        LEU  40  11.157  -5.952   3.859
  259    HA   LEU  40           HA       LEU  40   9.740  -6.428   6.428
  260    HB2  LEU  40           1HB      LEU  40  11.570  -8.378   4.966
  261    HB3  LEU  40           2HB      LEU  40  10.984  -8.582   6.611
  262    HG   LEU  40           HG       LEU  40   9.212  -8.569   4.138
  263   HD11  LEU  40          1HD1      LEU  40  10.767 -10.471   4.155
  264   HD12  LEU  40          2HD1      LEU  40   9.104 -11.004   4.469
  265   HD13  LEU  40          3HD1      LEU  40  10.265 -10.881   5.812
  266   HD21  LEU  40          3HD2      LEU  40   7.997  -7.910   6.158
  267   HD22  LEU  40          1HD2      LEU  40   8.649  -9.310   7.039
  268   HD23  LEU  40          2HD2      LEU  40   7.528  -9.551   5.677
  Start of MODEL   17
    1    H1   GLU   1           1H       GLU   1 -19.708   4.244 -11.164
    2    H2   GLU   1           2H       GLU   1 -20.187   5.468 -10.163
    3    H3   GLU   1           3H       GLU   1 -18.615   5.366 -10.649
    4    HA   GLU   1           HA       GLU   1 -20.014   3.424  -8.932
    5    HB2  GLU   1           1HB      GLU   1 -17.957   2.260  -8.676
    6    HB3  GLU   1           2HB      GLU   1 -18.247   2.420 -10.401
    7    HG2  GLU   1           1HG      GLU   1 -16.351   4.299  -8.901
    8    HG3  GLU   1           2HG      GLU   1 -15.828   2.734  -9.529
    9    H    ALA   2           H        ALA   2 -19.218   3.402  -6.679
   10    HA   ALA   2           HA       ALA   2 -18.037   6.018  -5.865
   11    HB1  ALA   2           3HB      ALA   2 -19.697   6.175  -4.053
   12    HB2  ALA   2           1HB      ALA   2 -20.513   6.135  -5.631
   13    HB3  ALA   2           2HB      ALA   2 -20.477   4.676  -4.607
   14    H    ALA   3           H        ALA   3 -16.595   3.639  -6.151
   15    HA   ALA   3           HA       ALA   3 -15.843   3.158  -3.330
   16    HB1  ALA   3           3HB      ALA   3 -17.259   1.207  -3.968
   17    HB2  ALA   3           1HB      ALA   3 -16.248   0.948  -5.414
   18    HB3  ALA   3           2HB      ALA   3 -15.555   0.728  -3.790
   19    H    VAL   4           H        VAL   4 -13.646   3.126  -3.120
   20    HA   VAL   4           HA       VAL   4 -12.034   3.270  -5.630
   21    HB   VAL   4           HB       VAL   4 -10.634   5.026  -4.555
   22   HG11  VAL   4          1HG1      VAL   4 -12.530   5.640  -6.060
   23   HG12  VAL   4          2HG1      VAL   4 -13.583   5.809  -4.635
   24   HG13  VAL   4          3HG1      VAL   4 -12.183   6.886  -4.843
   25   HG21  VAL   4          3HG2      VAL   4 -11.101   4.490  -2.164
   26   HG22  VAL   4          1HG2      VAL   4 -11.416   6.195  -2.523
   27   HG23  VAL   4          2HG2      VAL   4 -12.776   5.066  -2.362
   28    H    CYS   5           H        CYS   5 -12.402   1.799  -2.555
   29    HA   CYS   5           HA       CYS   5  -9.534   0.970  -2.558
   30    HB2  CYS   5           1HB      CYS   5 -10.241   2.239  -0.563
   31    HB3  CYS   5           2HB      CYS   5 -11.563   1.095  -0.296
   32    H    THR   6           H        THR   6  -9.024  -1.201  -2.592
   33    HA   THR   6           HA       THR   6 -11.255  -3.147  -2.767
   34    HB   THR   6           HB       THR   6  -9.314  -4.681  -3.359
   35    HG1  THR   6           1HG      THR   6  -7.359  -3.597  -3.913
   36   HG21  THR   6          1HG2      THR   6 -10.696  -3.561  -5.118
   37   HG22  THR   6          2HG2      THR   6  -9.018  -3.854  -5.623
   38   HG23  THR   6          3HG2      THR   6  -9.522  -2.221  -5.129
   39    H    THR   7           H        THR   7 -11.160  -5.032  -1.341
   40    HA   THR   7           HA       THR   7  -9.748  -4.469   1.207
   41    HB   THR   7           HB       THR   7 -11.332  -6.211   2.131
   42    HG1  THR   7           1HG      THR   7 -12.936  -6.953   0.770
   43   HG21  THR   7          1HG2      THR   7 -12.742  -3.952   0.644
   44   HG22  THR   7          2HG2      THR   7 -11.894  -3.765   2.199
   45   HG23  THR   7          3HG2      THR   7 -13.324  -4.811   2.085
   46    H    GLU   8           H        GLU   8  -8.969  -5.742  -1.416
   47    HA   GLU   8           HA       GLU   8  -8.195  -8.466  -0.740
   48    HB2  GLU   8           1HB      GLU   8  -7.622  -6.619  -3.063
   49    HB3  GLU   8           2HB      GLU   8  -6.850  -8.208  -2.914
   50    HG2  GLU   8           1HG      GLU   8  -8.994  -9.323  -2.927
   51    HG3  GLU   8           2HG      GLU   8  -9.843  -7.778  -2.899
   52    H    TRP   9           H        TRP   9  -6.400  -9.151   0.148
   53    HA   TRP   9           HA       TRP   9  -4.417  -7.429   1.303
   54    HB2  TRP   9           1HB      TRP   9  -4.713  -9.660   2.176
   55    HB3  TRP   9           2HB      TRP   9  -4.478 -10.384   0.584
   56    HD1  TRP   9           HD       TRP   9  -2.097 -11.285   0.109
   57    HE1  TRP   9           1HE      TRP   9   0.202 -11.148   1.151
   58    HE3  TRP   9           3HE      TRP   9  -3.114  -7.643   3.556
   59    HZ2  TRP   9           2HZ      TRP   9   1.489  -9.622   3.184
   60    HZ3  TRP   9           3HZ      TRP   9  -1.245  -6.843   5.009
   61    HH2  TRP   9           HH       TRP   9   1.029  -7.835   4.828
   62    H    ASP  10           H        ASP  10  -3.228  -6.108   0.107
   63    HA   ASP  10           HA       ASP  10  -1.885  -7.172  -2.336
   64    HB2  ASP  10           1HB      ASP  10  -3.921  -5.928  -3.051
   65    HB3  ASP  10           2HB      ASP  10  -3.403  -4.535  -2.095
   66    HA   PRO  11           HA       PRO  11   0.571  -4.859   0.785
   67    HB2  PRO  11           1HB      PRO  11   2.799  -6.472   0.847
   68    HB3  PRO  11           2HB      PRO  11   1.341  -6.760   1.843
   69    HG2  PRO  11           1HG      PRO  11   2.080  -8.013  -0.794
   70    HG3  PRO  11           2HG      PRO  11   1.536  -8.793   0.709
   71    HD2  PRO  11           1HD      PRO  11  -0.176  -8.293  -1.296
   72    HD3  PRO  11           2HD      PRO  11  -0.668  -8.057   0.422
   73    H    VAL  12           H        VAL  12   1.918  -3.283   0.372
   74    HA   VAL  12           HA       VAL  12   3.721  -3.398  -1.986
   75    HB   VAL  12           HB       VAL  12   2.985  -1.055  -2.614
   76   HG11  VAL  12          1HG1      VAL  12   1.000  -1.714  -3.892
   77   HG12  VAL  12          2HG1      VAL  12   2.181  -3.040  -3.892
   78   HG13  VAL  12          3HG1      VAL  12   0.751  -3.123  -2.839
   79   HG21  VAL  12          3HG2      VAL  12   0.790  -0.231  -1.864
   80   HG22  VAL  12          1HG2      VAL  12   0.583  -1.650  -0.817
   81   HG23  VAL  12          2HG2      VAL  12   1.864  -0.461  -0.473
   82    H    CYS  13           H        CYS  13   5.352  -1.635  -1.758
   83    HA   CYS  13           HA       CYS  13   5.573  -0.723   1.087
   84    HB2  CYS  13           1HB      CYS  13   7.225  -2.569  -0.263
   85    HB3  CYS  13           2HB      CYS  13   8.122  -1.044  -0.223
   86    H    GLY  14           H        GLY  14   5.826   1.418   1.294
   87    HA2  GLY  14           1HA      GLY  14   5.805   3.002  -1.155
   88    HA3  GLY  14           2HA      GLY  14   5.710   3.600   0.504
   89    H    LYS  15           H        LYS  15   7.100   5.145  -1.063
   90    HA   LYS  15           HA       LYS  15   9.934   4.478  -1.225
   91    HB2  LYS  15           1HB      LYS  15   8.526   7.176  -1.280
   92    HB3  LYS  15           2HB      LYS  15  10.235   6.905  -1.627
   93    HG2  LYS  15           1HG      LYS  15   9.501   5.347  -3.498
   94    HG3  LYS  15           2HG      LYS  15   7.861   5.915  -3.224
   95    HD2  LYS  15           1HD      LYS  15   8.657   7.234  -5.002
   96    HD3  LYS  15           2HD      LYS  15   8.746   8.284  -3.577
   97    HE2  LYS  15           1HE      LYS  15  10.787   8.538  -4.882
   98    HE3  LYS  15           2HE      LYS  15  11.185   7.716  -3.364
   99    HZ1  LYS  15           3HZ      LYS  15  10.790   6.368  -5.978
  100    HZ2  LYS  15           1HZ      LYS  15  11.182   5.608  -4.566
  101    HZ3  LYS  15           2HZ      LYS  15  12.248   6.657  -5.263
  102    H    ASP  16           H        ASP  16   7.884   5.267   1.320
  103    HA   ASP  16           HA       ASP  16   9.884   6.546   3.033
  104    HB2  ASP  16           1HB      ASP  16   8.114   6.456   4.724
  105    HB3  ASP  16           2HB      ASP  16   7.487   7.124   3.212
  106    H    GLY  17           H        GLY  17   9.392   3.419   1.929
  107    HA2  GLY  17           1HA      GLY  17  10.518   1.508   2.590
  108    HA3  GLY  17           2HA      GLY  17  11.130   2.365   4.011
  109    H    LYS  18           H        LYS  18   7.660   2.466   3.569
  110    HA   LYS  18           HA       LYS  18   7.472   0.458   5.791
  111    HB2  LYS  18           1HB      LYS  18   5.504   2.649   5.069
  112    HB3  LYS  18           2HB      LYS  18   5.444   1.604   6.489
  113    HG2  LYS  18           1HG      LYS  18   7.594   3.674   5.901
  114    HG3  LYS  18           2HG      LYS  18   6.225   3.909   6.987
  115    HD2  LYS  18           1HD      LYS  18   7.300   2.937   8.688
  116    HD3  LYS  18           2HD      LYS  18   7.667   1.495   7.730
  117    HE2  LYS  18           1HE      LYS  18   9.725   2.607   8.542
  118    HE3  LYS  18           2HE      LYS  18   9.641   2.575   6.770
  119    HZ1  LYS  18           3HZ      LYS  18  10.334   4.738   7.721
  120    HZ2  LYS  18           1HZ      LYS  18   8.830   4.925   8.377
  121    HZ3  LYS  18           2HZ      LYS  18   9.023   4.844   6.736
  122    H    THR  19           H        THR  19   6.061  -1.186   5.699
  123    HA   THR  19           HA       THR  19   4.934  -1.885   3.077
  124    HB   THR  19           HB       THR  19   4.973  -3.283   5.801
  125    HG1  THR  19           1HG      THR  19   6.893  -3.600   4.778
  126   HG21  THR  19          1HG2      THR  19   3.710  -4.222   3.192
  127   HG22  THR  19          2HG2      THR  19   2.865  -3.905   4.730
  128   HG23  THR  19          3HG2      THR  19   4.013  -5.246   4.616
  129    H    TYR  20           H        TYR  20   2.885  -1.588   2.486
  130    HA   TYR  20           HA       TYR  20   0.905  -0.831   4.608
  131    HB2  TYR  20           1HB      TYR  20   1.122  -0.026   1.688
  132    HB3  TYR  20           2HB      TYR  20  -0.308   0.265   2.687
  133    HD1  TYR  20           1HD      TYR  20  -0.261   1.879   4.523
  134    HD2  TYR  20           2HD      TYR  20   3.226   1.244   2.094
  135    HE1  TYR  20           1HE      TYR  20   0.781   3.952   5.463
  136    HE2  TYR  20           2HE      TYR  20   4.265   3.312   3.042
  137    HH   TYR  20           HH       TYR  20   4.080   5.009   4.606
  138    H    SER  21           H        SER  21  -0.894  -2.120   4.711
  139    HA   SER  21           HA       SER  21  -0.645  -4.734   3.682
  140    HB2  SER  21           1HB      SER  21  -3.205  -3.431   4.677
  141    HB3  SER  21           2HB      SER  21  -2.775  -5.155   4.723
  142    HG   SER  21           HG       SER  21  -2.354  -4.266   6.733
  143    H    ASN  22           H        ASN  22  -3.061  -2.239   2.800
  144    HA   ASN  22           HA       ASN  22  -3.148  -3.509   0.129
  145    HB2  ASN  22           1HB      ASN  22  -5.494  -2.241  -0.018
  146    HB3  ASN  22           2HB      ASN  22  -5.334  -3.909   0.510
  147   HD21  ASN  22          2HD2      ASN  22  -7.069  -1.374   1.108
  148   HD22  ASN  22          1HD2      ASN  22  -7.289  -1.525   2.829
  149    H    LEU  23           H        LEU  23  -3.468  -2.071  -1.657
  150    HA   LEU  23           HA       LEU  23  -1.698   0.115  -1.675
  151    HB2  LEU  23           1HB      LEU  23  -2.584  -1.216  -3.622
  152    HB3  LEU  23           2HB      LEU  23  -4.104  -0.347  -3.465
  153    HG   LEU  23           HG       LEU  23  -2.879   1.789  -3.964
  154   HD11  LEU  23          1HD1      LEU  23  -0.642   1.618  -5.018
  155   HD12  LEU  23          2HD1      LEU  23  -0.583  -0.111  -4.605
  156   HD13  LEU  23          3HD1      LEU  23  -0.601   1.119  -3.320
  157   HD21  LEU  23          3HD2      LEU  23  -4.118   0.554  -5.687
  158   HD22  LEU  23          1HD2      LEU  23  -2.678  -0.435  -6.032
  159   HD23  LEU  23          2HD2      LEU  23  -2.668   1.313  -6.373
  160    H    CYS  24           H        CYS  24  -5.064  -0.008  -0.683
  161    HA   CYS  24           HA       CYS  24  -5.762   2.713  -0.977
  162    HB2  CYS  24           1HB      CYS  24  -6.522   0.990   1.394
  163    HB3  CYS  24           2HB      CYS  24  -7.438   2.317   0.673
  164    H    TRP  25           H        TRP  25  -4.012   1.050   1.700
  165    HA   TRP  25           HA       TRP  25  -3.997   3.454   3.317
  166    HB2  TRP  25           1HB      TRP  25  -2.214   1.012   3.542
  167    HB3  TRP  25           2HB      TRP  25  -2.510   2.234   4.787
  168    HD1  TRP  25           HD       TRP  25  -3.462  -1.122   4.092
  169    HE1  TRP  25           1HE      TRP  25  -5.694  -1.831   5.057
  170    HE3  TRP  25           3HE      TRP  25  -5.270   3.547   5.121
  171    HZ2  TRP  25           2HZ      TRP  25  -8.001  -0.539   6.138
  172    HZ3  TRP  25           3HZ      TRP  25  -7.548   3.751   6.129
  173    HH2  TRP  25           HH       TRP  25  -8.893   1.711   6.633
  174    H    LEU  26           H        LEU  26  -1.836   1.948   0.950
  175    HA   LEU  26           HA       LEU  26   0.436   3.627   1.429
  176    HB2  LEU  26           1HB      LEU  26   0.441   1.574   0.064
  177    HB3  LEU  26           2HB      LEU  26  -0.596   2.323  -1.116
  178    HG   LEU  26           HG       LEU  26   1.853   1.971  -1.678
  179   HD11  LEU  26          1HD1      LEU  26   1.928   3.918  -3.099
  180   HD12  LEU  26          2HD1      LEU  26   0.733   4.757  -2.096
  181   HD13  LEU  26          3HD1      LEU  26   0.260   3.316  -3.022
  182   HD21  LEU  26          3HD2      LEU  26   2.191   4.505  -0.059
  183   HD22  LEU  26          1HD2      LEU  26   3.408   3.731  -1.090
  184   HD23  LEU  26          2HD2      LEU  26   2.828   2.900   0.366
  185    H    ASN  27           H        ASN  27  -2.401   3.950  -0.726
  186    HA   ASN  27           HA       ASN  27  -1.671   6.477  -1.835
  187    HB2  ASN  27           1HB      ASN  27  -3.421   4.879  -2.701
  188    HB3  ASN  27           2HB      ASN  27  -4.468   5.385  -1.367
  189   HD21  ASN  27          2HD2      ASN  27  -5.902   6.881  -1.890
  190   HD22  ASN  27          1HD2      ASN  27  -5.689   8.096  -3.125
  191    H    GLU  28           H        GLU  28  -3.616   5.634   1.055
  192    HA   GLU  28           HA       GLU  28  -4.465   8.339   1.570
  193    HB2  GLU  28           1HB      GLU  28  -4.313   5.817   3.224
  194    HB3  GLU  28           2HB      GLU  28  -4.826   7.353   3.936
  195    HG2  GLU  28           1HG      GLU  28  -6.729   7.506   2.537
  196    HG3  GLU  28           2HG      GLU  28  -6.134   6.246   1.448
  197    H    ALA  29           H        ALA  29  -1.568   6.499   2.464
  198    HA   ALA  29           HA       ALA  29  -0.670   8.502   4.378
  199    HB1  ALA  29           3HB      ALA  29   0.049   6.202   4.619
  200    HB2  ALA  29           1HB      ALA  29   0.734   6.196   2.981
  201    HB3  ALA  29           2HB      ALA  29   1.467   7.208   4.249
  202    H    GLY  30           H        GLY  30  -0.760   8.272   0.947
  203    HA2  GLY  30           1HA      GLY  30  -0.208   9.920  -0.564
  204    HA3  GLY  30           2HA      GLY  30   0.491  10.872   0.751
  205    H    VAL  31           H        VAL  31   1.709   7.647   0.444
  206    HA   VAL  31           HA       VAL  31   4.272   8.801  -0.458
  207    HB   VAL  31           HB       VAL  31   4.147   5.886   0.086
  208   HG11  VAL  31          1HG1      VAL  31   6.234   7.157  -0.298
  209   HG12  VAL  31          2HG1      VAL  31   5.910   8.109   1.173
  210   HG13  VAL  31          3HG1      VAL  31   6.203   6.360   1.285
  211   HG21  VAL  31          3HG2      VAL  31   4.149   6.213   2.577
  212   HG22  VAL  31          1HG2      VAL  31   3.567   7.874   2.315
  213   HG23  VAL  31          2HG2      VAL  31   2.583   6.476   1.804
  214    H    GLY  32           H        GLY  32   5.272   8.189  -2.316
  215    HA2  GLY  32           1HA      GLY  32   3.699   6.894  -4.385
  216    HA3  GLY  32           2HA      GLY  32   5.425   7.325  -4.487
  217    H    LEU  33           H        LEU  33   4.115   4.797  -5.284
  218    HA   LEU  33           HA       LEU  33   4.870   2.779  -3.321
  219    HB2  LEU  33           1HB      LEU  33   3.073   2.494  -5.005
  220    HB3  LEU  33           2HB      LEU  33   4.254   2.604  -6.300
  221    HG   LEU  33           HG       LEU  33   4.596   0.431  -4.256
  222   HD11  LEU  33          1HD1      LEU  33   3.009  -0.992  -5.508
  223   HD12  LEU  33          2HD1      LEU  33   2.538   0.409  -6.500
  224   HD13  LEU  33          3HD1      LEU  33   2.198   0.394  -4.753
  225   HD21  LEU  33          3HD2      LEU  33   6.240   0.687  -6.129
  226   HD22  LEU  33          1HD2      LEU  33   4.922   0.481  -7.296
  227   HD23  LEU  33          2HD2      LEU  33   5.369  -0.852  -6.209
  228    H    ASP  34           H        ASP  34   6.820   1.663  -3.203
  229    HA   ASP  34           HA       ASP  34   8.869   2.401  -5.273
  230    HB2  ASP  34           1HB      ASP  34   9.174   3.155  -2.789
  231    HB3  ASP  34           2HB      ASP  34   9.646   1.473  -2.519
  232    H    HIS  35           H        HIS  35   7.866  -0.158  -2.940
  233    HA   HIS  35           HA       HIS  35   8.936  -2.133  -4.911
  234    HB2  HIS  35           1HB      HIS  35   8.408  -2.697  -2.010
  235    HB3  HIS  35           2HB      HIS  35   9.279  -3.698  -3.166
  236    HD1  HIS  35           1HD      HIS  35  11.597  -2.349  -4.156
  237    HD2  HIS  35           2HD      HIS  35  10.049  -1.225  -0.455
  238    HE1  HIS  35           1HE      HIS  35  13.462  -1.144  -2.921
  239    H    GLU  36           H        GLU  36   7.612  -3.953  -5.392
  240    HA   GLU  36           HA       GLU  36   4.741  -3.694  -4.591
  241    HB2  GLU  36           1HB      GLU  36   6.159  -5.508  -6.598
  242    HB3  GLU  36           2HB      GLU  36   4.444  -5.613  -6.181
  243    HG2  GLU  36           1HG      GLU  36   4.132  -3.286  -7.012
  244    HG3  GLU  36           2HG      GLU  36   5.829  -3.268  -7.517
  245    H    GLY  37           H        GLY  37   3.900  -5.438  -3.279
  246    HA2  GLY  37           1HA      GLY  37   4.099  -7.310  -1.897
  247    HA3  GLY  37           2HA      GLY  37   5.806  -7.488  -2.357
  248    H    GLU  38           H        GLU  38   5.232  -7.771   0.241
  249    HA   GLU  38           HA       GLU  38   5.470  -5.232   1.683
  250    HB2  GLU  38           1HB      GLU  38   5.958  -6.969   3.605
  251    HB3  GLU  38           2HB      GLU  38   4.323  -6.741   2.988
  252    HG2  GLU  38           1HG      GLU  38   4.427  -8.759   1.686
  253    HG3  GLU  38           2HG      GLU  38   6.143  -8.968   2.054
  254    H    CYS  39           H        CYS  39   7.349  -4.612   2.918
  255    HA   CYS  39           HA       CYS  39   9.860  -6.030   2.326
  256    HB2  CYS  39           1HB      CYS  39  10.887  -4.325   1.190
  257    HB3  CYS  39           2HB      CYS  39   9.273  -4.252   0.496
  258    H    LEU  40           H        LEU  40  11.728  -4.762   3.379
  259    HA   LEU  40           HA       LEU  40  11.009  -3.086   5.674
  260    HB2  LEU  40           1HB      LEU  40  11.498  -5.884   6.001
  261    HB3  LEU  40           2HB      LEU  40  12.992  -5.065   6.456
  262    HG   LEU  40           HG       LEU  40  10.262  -4.410   7.622
  263   HD11  LEU  40          1HD1      LEU  40  10.937  -6.707   8.174
  264   HD12  LEU  40          2HD1      LEU  40  11.027  -5.659   9.604
  265   HD13  LEU  40          3HD1      LEU  40  12.517  -6.119   8.745
  266   HD21  LEU  40          3HD2      LEU  40  11.595  -3.270   9.377
  267   HD22  LEU  40          1HD2      LEU  40  11.865  -2.554   7.775
  268   HD23  LEU  40          2HD2      LEU  40  13.084  -3.638   8.473