*HEADER    VIRUS/VIRAL PROTEIN                     08-JAN-00   1DSV              
*TITLE     STRUCTURE OF THE MMTV NUCLEOCAPSID PROTEIN (C-TERMINAL ZINC           
*TITLE    2 FINGER)                                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NUCLEIC ACID BINDING PROTEIN P14;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL ZINC FINGER OF NUCLEOCAPSID PROTEIN;            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MOUSE MAMMARY TUMOR VIRUS;                      
*SOURCE   3 ORGANISM_COMMON: VIRUS;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSE;                            
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET-3D                                    
*KEYWDS    CCHC TYPE ZINC FINGER                                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    D.J.KLEIN, P.E.JOHNSON, E.S.ZOLLARS, R.N.DE GUZMAN,                   
*AUTHOR   2 M.F.SUMMERS                                                          
*REVDAT   1   28-JAN-00 1DSV    0                                                

# UPPER LIMIT RESTRAINTS
#--------------------------------------------------------------------- 
# F2 RESTRAINTS  -  ZINC LIGAND RESTRAINTS
#---------------------------------------------------------------------
 71  CYSZ ZN      58 CYS- CB     3.41
 71  CYSZ ZN      61 CYS- CB     3.41
#71  CYSZ ZN      71 CYSZ CB     3.41
 71  CYSZ ZN      58 CYS- SG     2.35
 71  CYSZ ZN      61 CYS- SG     2.35
#71  CYSZ ZN      71 CYSZ SG     2.35
 71  CYSZ ZN      66 HIS  NE2    2.05
 71  CYSZ ZN      66 HIS  ND1    4.18
 71  CYSZ ZN      66 HIS  CG     4.18
#---------------------------------------------------------------------
# HYDROGEN BONDS
#---------------------------------------------------------------------
 58  CYS- N       64 GLY  O      3.00
 58  CYS- HN      64 GLY  O      2.00
 60  ARG+ N       58 CYS- SG     3.55
 60  ARG+ HN      58 CYS- SG     2.55
 61  CYS- N       58 CYS- SG     3.55
 61  CYS- HN      58 CYS- SG     2.55
 62  LYS+ N       58 CYS- O      3.00
 62  LYS+ HN      58 CYS- O      2.00
 63  LYS+ N       61 CYS- SG     3.55
 63  LYS+ HN      61 CYS- SG     2.55
 66  HIS  N       56 GLY  O      3.00
 66  HIS  HN      56 GLY  O      2.00
 70  GLU- N       67 TRP  O      3.00
 70  GLU- HN      67 TRP  O      2.00
 71  CYSZ N       68 LYS+ O      3.00
 71  CYSZ HN      68 LYS+ O      2.00
 73  SER  N       71 CYSZ SG     3.55
 73  SER  HN      71 CYSZ SG     2.55
 76  ASP- N       80 ASN  O      3.00
 76  ASP- HN      80 ASN  O      2.00
 77  LYS+ N       60 ARG+ O      3.00
 77  LYS+ HN      60 ARG+ O      2.00
 80  ASN  N       76 ASP- O      3.00
 80  ASN  HN      76 ASP- O      2.00
 82  LEU  N       74 LYS+ O      3.00
 82  LEU  HN      74 LYS+ O      2.00
#ADDED
 79  GLY  HN      76 ASP- O      2.00
 79  GLY  N       76 ASP- O      3.00

 80  ASN  HD21    77 LYS+ O      2.00
 80  ASN  ND2     77 LYS+ O      3.00 

 80  ASN  HD21    78 ASP- QB     3.50

#MORE ADDED
 76  ASP- HN      75 PHE  QD     7.3
 82  LEU  HN      75 PHE  QD     7.3
 75  PHE  HN      82 LEU  QD2    5.5


#---------------------------------------------------------------------
# SEQUENTIAL CONNECTIVITIES (HA-HN, HN-HN) F2
#---------------------------------------------------------------------
 57 LEU  HN       56 GLY  HA1    2.70
 58 CYS- HN       57 LEU  HA     2.70
 60 ARG+ HN       59 PRO  HA     3.30
 60 ARG+ HN       61 CYS- HN     2.70
 61 CYS- HN       62 LYS+ HN     2.70
 62 LYS+ HN       63 LYS+ HN     2.70
 63 LYS+ HN       64 GLY  HN     2.70
 65 TYR  HN       64 GLY  HA1    2.70
 66 HIS  HN       65 TYR  HA     2.70
 67 TRP  HN       66 HIS  HA     2.70
 68 LYS+ HN       67 TRP  HA     2.70
 68 LYS+ HN       69 SER  HN     3.30
 69 SER  HN       70 GLU- HN     3.30
 70 GLU- HN       71 CYSZ HN     2.70
 72 LYS+ HN       71 CYSZ HA     2.70
 73 SER  HN       72 LYS+ HN     2.70 #Also a significant HA_HN peak
 76 ASP- HN       75 PHE  HA     2.70
 77 LYS+ HN       76 ASP- HA     2.70
 78 ASP- HN       77 LYS+ HA     2.70 #CANNOT SEE HN-HN B/C OVERLAP
 78 ASP- HN       79 GLY  HN     2.70
 79 GLY  HN       80 ASN  HN     2.70
 82 LEU  HN       81 PRO  HA     2.70
#---------------------------------------------------------------------
# OTHER NOE'S OBSERVED FOR F2
#---------------------------------------------------------------------

# GLY 56
#56 GLY  HN       56 GLY  HA2    2.70 #CHECK STEREO OF G56
#56 GLY  HA2      57 LEU  HN     3.30 SPIN DIFFUSION
#56 GLY  HN       65 TYR  QE     5.50 NOT SURE WHERE THIS CAME FROM, NOT 3DNOE

# LEU 57
 57 LEU  HA       57 LEU  QD1    3.80
 57 LEU  HA       57 LEU  HG     3.30
 57 LEU  QD1      58 CYS- HN     3.30
 57 LEU  QD1      64 GLY  HN     3.20
 57 LEU  HA       65 TYR  HA     2.70
 57 LEU  QD1      65 TYR  QE     3.90
 57 LEU  HN       65 TYR  QD     5.50
 57 LEU  HN       65 TYR  QE     5.50
 57 LEU  HB2      65 TYR  QD     3.80
#57 LEU  HA       66 HIS  HA     5.00 LIKELY SPIN DIFF.
#57 LEU  QD2      66 HIS  HN     5.50 CHECK AGAIN
#57 LEU  HA       67 TRP  HN     5.00 LIKELY SPIN DIFF.

# CYS 58
 58 CYS- HN       58 CYS- HB2    2.70
 58 CYS- HN       58 CYS- HB3    2.70
 58 CYS- HA       59 PRO  HD2    2.70
 58 CYS- HA       59 PRO  HD3    2.70
 58 CYS- HA       60 ARG+ HN     5.00
 58 CYS- HB3      60 ARG+ HN     5.00 #APPEARS MED B/C SD
 58 CYS- HA       61 CYS- HN     5.00
 58 CYS- HB3      61 CYS- HN     5.00
 58 CYS- HN       62 LYS+ HA     5.00
#58 CYS- HN       63 LYS+ HN     5.00 SPIN DIFFUSION
 58 CYS- HB3      63 LYS+ HN     5.00
 58 CYS- HN       64 GLY  HN     5.00
 58 CYS- HB2      64 GLY  HN     5.00
 58 CYS- HB3      64 GLY  HN     5.00
 58 CYS- HN       65 TYR  HA     3.30
 58 CYS- HB2      66 HIS  HN     3.30
 58 CYS- HN       66 HIS  HN     3.30
 58 CYS- HB3      66 HIS  HD2    5.00
 58 CYS- HB2      66 HIS  HD2    2.70
 58 CYS- HB2      66 HIS  HE1    5.00
 58 CYS- HA       66 HIS  HD2    5.00
 58 CYS- HA       67 TRP  HA     5.00
 58 CYS- HA       68 LYS+ HN     5.00

# PRO 59
 59 PRO  QB       60 ARG+ HN     5.50
 59 PRO  HA       62 LYS+ HN     5.00
 59 PRO  QD       60 ARG+ HN     3.80

# ARG 60
 60 ARG+ HN       60 ARG+ HB2    2.70
#60 ARG+ HN       61 CYS- HB3    5.00 Spin Diffusion
#60 ARG+ HN       61 CYS- HA     5.00 NOT SURE
 60 ARG+ HN       62 LYS+ HN     5.00
 60 ARG+ HB2      61 CYS- HN     2.70
  
# CYS 61
 61 CYS- HN       61 CYS- HB3    2.70
 61 CYS- HA       61 CYS- HB2    2.70
 61 CYS- HA       61 CYS- HB3    2.70
 61 CYS- HN       63 LYS+ HN     5.00
 61 CYS- HB2      73 SER  HB3    5.00
 61 CYS- HB2      73 SER  HB2    5.00
 61 CYS- HA       76 ASP- HB2    3.30
 61 CYS- HA       76 ASP- HB3    3.30
 61 CYS- HB3      76 ASP- HA     3.30
 61 CYS- HB2      76 ASP- HA     3.30
 61 CYS- HA       76 ASP- HA     2.70
 61 CYS- HB2      82 LEU  QD2    3.80
 
# LYS 62
 62 LYS+ HN       64 GLY  HN     5.00

# LYS 63
#63 LYS+ HB3      64 GLY  HN     3.30 NON-FUNCTIONAL
 63 LYS+ HN       66 HIS  HE1    5.00
 
# GLY 64
 64 GLY  HA2      65 TYR  HN     3.30
 64 GLY  HN       66 HIS  HE1    5.00

# TYR 65
 65 TYR  HN       65 TYR  HB2    3.30
 65 TYR  HB3      65 TYR  QD     3.30
 65 TYR  HB2      66 HIS  HN     5.00
 65 TYR  HB3      66 HIS  HN     5.00

# HIS 66
 66 HIS  HE1      63 LYS+ HB2    5.00
#66 HIS  HN       66 HIS  QB     4.10 UNSURE
 66 HIS  HD2      66 HIS  HA     5.00
 66 HIS  HN       66 HIS  HD2    5.00
 66 HIS  QB       67 TRP  HN     3.20   
 66 HIS  HD2      67 TRP  HN     5.00
 66 HIS  HD2      70 GLU- HN     5.00
 66 HIS  QB       70 GLU- HN     5.50
 66 HIS  HD2      71 CYSZ HA     3.30
 66 HIS  HD2      71 CYSZ HB2    2.70
 66 HIS  HD2      71 CYSZ HN     3.30

# TRP 67
 67 TRP  HN       67 TRP  HB2    3.30
 67 TRP  HN       67 TRP  HD1    2.70
 67 TRP  HE3      68 LYS+ HN     3.30
 67 TRP  HB3      68 LYS+ HN     3.30
 67 TRP  HB3      69 SER  HN     3.30
 67 TRP  HN       70 GLU- QB     4.10
 67 TRP  HN       70 GLU- QG     4.10
 67 TRP  HB3      70 GLU- HN     3.30

# LYS 68
 68 LYS+ HN       68 LYS+ QB     3.90
 68 LYS+ HA       71 CYSZ HN     5.00 

# SER 69
 69 SER  HB3      69 SER  HN     2.70
 69 SER  HB2      70 GLU- HN     5.00
 69 SER  HN       70 GLU- QB     5.50
 69 SER  HN       70 GLU- QG     5.50
 69 SER  HA       71 CYSZ HN     5.00
 69 SER  HN       71 CYSZ HN     5.00

# GLU 70
 70 GLU- HN       70 GLU- QG     4.10
 70 GLU- HN       70 GLU- QB     4.10
 
# CYSZ 71
 71 CYSZ HN       71 CYSZ HB2    2.70
 71 CYSZ HN       71 CYSZ HB3    2.70
 71 CYSZ HA       71 CYSZ HB2    2.70
 71 CYSZ HB2      72 LYS+ HN     5.00
 71 CYSZ HB3      72 LYS+ HN     5.00
 71 CYSZ HA       73 SER  HN     3.30

# LYS 72
 
# SER 73
 73 SER  HN       73 SER  HB2    2.70
#73 SER  HA       75 PHE  HN     3.30 Doesn't align, NOE could be from 74 HA???
 73 SER  HB3      75 PHE  HN     3.30
 73 SER  HN       82 LEU  QD2    5.50
 73 SER  HB2      82 LEU  QD2    5.50

# LYS 74

# PHE 75
 75 PHE  HN       75 PHE  HB2    2.70
# 75 PHE  HN       75 PHE  HD1    5.00 correct Dan's restraint for pseudoatom
 75 PHE  HN       75 PHE  QD    7.3
 75 PHE  HB3      76 ASP- HN     5.00  
#75 PHE  HA       79 GLY  HN     5.00 LIKELY SPIN DIFF.
 75 PHE  HA       80 ASN  HN     5.00
 75 PHE  HA       81 PRO  HA     2.70
 75 PHE  QD       81 PRO  HA     5.00
#75 PHE  QE       81 PRO  QB     3.30 NOT SURE
 75 PHE  HN       82 LEU  QD2    3.80
 75 PHE  HA       82 LEU  HN     3.30

# ASP 76
 76 ASP- HN       76 ASP- HB3    3.30
 76 ASP- HB2      77 LYS+ HN     2.70
#76 ASP- HA       78 ASP- HN     5.00 Unreliable peak, overlap
 76 ASP- HN       79 GLY  HA1    5.00 #Maybe doesn't line up
 76 ASP- HN       79 GLY  HN     5.00
#76 ASP- HN       80 ASN  HA     5.00 LIKELY S.D.
 76 ASP- HA       80 ASN  HN     5.00
 76 ASP- HN       80 ASN  HN     3.30 #HARD TO TELL, OVERLAP
 76 ASP- HN       81 PRO  HA     5.00 #APPEARS MEDIUM, SD
 76 ASP- HN       82 LEU  QD2    3.80
 76 ASP- HN       82 LEU  HN     5.00

# LYS 77
#77 LYS+ HN       77 LYS+ HB2    2.70 NON-FUNCTIONAL
 77 LYS+ HA       79 GLY  HN     5.00
#77 LYS+ HA       80 ASN  HN     5.00 Very weak, spin diff

# ASP 78
 78 ASP- HN       78 ASP- HB3    3.30
 78 ASP- HN       79 GLY  HA1    5.00 #Maybe doesn't line up???
 78 ASP- HB3      79 GLY  HN     5.00
 78 ASP- HN       80 ASN  HN     5.00 #appears medium SD

# GLY 79
#79 GLY  HN       80 ASN  HA     5.00 NOT SURE

# ASN 80
 80 ASN  HN       80 ASN  HB2    2.70 
 80 ASN  HA       81 PRO  HD2    2.70
 80 ASN  HA       81 PRO  HD3    2.70

# PRO 81
 
# LEU 82
 82 LEU  HN       82 LEU  HB2    2.70
 82 LEU  HA       82 LEU  QD1    3.20
 82 LEU  HA       83 PRO  HD2    3.30
 82 LEU  HA       83 PRO  HD3    3.30

# LEU  85
# 85 LEU  HN       84 PRO  HA     2.70
# 85 LEU  HN       85 LEU  QB     3.50
# 85 LEU  HN       85 LEU  QQD    4.10 

# GLU- 86
# 86 GLU- HN       85 LEU  QQD    4.10 
# 86 GLU- HN       86 GLU- HB2    3.30
# 86 GLU- HN       86 GLU- HB3    3.30
# 86 GLU- HN       85 LEU  QB     4.10 
# 86 GLU- HN       85 LEU  HA     2.70
 
# THR 87
# 87 THR  HN       87 THR  HB     5.00 
# 87 THR  HN       86 GLU- HB2    5.00
# 87 THR  HN       86 GLU- HB3    5.00 
# 87 THR  HN       87 THR  QG2    5.00 
# 87 THR  HN       85 LEU  QB     5.00
 
# ALA 89
# 89 ALA  HN       89 ALA  QB     4.10

# GLU- 90
# 90 GLU- HN       89 ALA  QB     4.10
# 90 GLU- HN       90 GLU- QG     4.10
# 90 GLU- HN       90 GLU- HB3    2.70

#LOWER LIMIT RESTRAINTS

  71 CYSZ ZN     66 HIS  ND1     4.18    
  71 CYSZ ZN     66 HIS  CG      4.18 
  71 CYSZ ZN     66 HIS  NE2     1.95
  71 CYSZ ZN     58 CYS- CB      3.31
  71 CYSZ ZN     61 CYS- CB      3.31
# 71 CYSZ ZN     71 CYSZ CB      3.31
  71 CYSZ ZN     58 CYS- SG      2.25
  71 CYSZ ZN     61 CYS- SG      2.25
# 71 CYSZ ZN     71 CYSZ SG      2.25

  71 CYSZ N      68 LYS+ O       2.70
  71 CYSZ HN     68 LYS+ O       1.80
  70 GLU- N      67 TRP  O       2.70
  70 GLU- HN     67 TRP  O       1.80
  60 ARG+ HN     58 CYS- SG      2.25
  60 ARG+ N      58 CYS- SG      3.25
  61 CYS- N      58 CYS- SG      3.25
  61 CYS- HN     58 CYS- SG      2.25
  63 LYS+ N      61 CYS- SG      3.25
  63 LYS+ HN     61 CYS- SG      2.25
  73 SER  N      71 CYSZ SG      3.25
  73 SER  HN     71 CYSZ SG      2.25
  58 CYS- N      64 GLY  O       2.70
  58 CYS- HN     64 GLY  O       1.80
  62 LYS+ HN     58 CYS- O       1.80
  62 LYS+ N      58 CYS- O       2.70
 

  76 ASP- HN     80 ASN  O       1.80
  76 ASP- N      80 ASN  O       2.70
  76 ASP- O      80 ASN  HN      1.80
  76 ASP- O      80 ASN  N       2.70
  74 LYS+ O      82 LEU  HN      1.80
  74 LYS+ O      82 LEU  N       2.70
  77 LYS+ HN     60 ARG+ O       1.80
  77 LYS+ N      60 ARG+ O       2.70

#ADDED
 79  GLY  HN      76 ASP- O      1.80
 79  GLY  N       76 ASP- O      2.70

 80  ASN  HD21    77 LYS+ O      1.80
 80  ASN  ND2     77 LYS+ O      2.70

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.584  -3.199  -3.727
    9   1HB   PRO  55          2HB       PRO  55   2.924  -2.806  -6.076
   10   2HB   PRO  55          3HB       PRO  55   1.256  -2.325  -5.832
   11   1HG   PRO  55          2HG       PRO  55   3.679  -0.634  -5.918
   12   2HG   PRO  55          3HG       PRO  55   2.002  -0.159  -6.102
   13   1HD   PRO  55          2HD       PRO  55   3.643   0.202  -3.777
   14   2HD   PRO  55          3HD       PRO  55   1.936   0.570  -3.922
   15    H    GLY  56           HN       GLY  56   2.647  -4.435  -2.159
   16   1HA   GLY  56          1HA       GLY  56   5.309  -5.242  -3.108
   17   2HA   GLY  56          2HA       GLY  56   5.120  -4.709  -1.450
   18    H    LEU  57           HN       LEU  57   3.800  -7.055  -3.872
   19    HA   LEU  57           HA       LEU  57   2.455  -8.625  -1.966
   20   1HB   LEU  57          2HB       LEU  57   2.078  -8.496  -4.458
   21   2HB   LEU  57          3HB       LEU  57   3.507  -9.491  -4.657
   22    HG   LEU  57           HG       LEU  57   2.490 -11.391  -3.845
   23   1HD1  LEU  57          1HD1      LEU  57   0.306 -11.266  -2.491
   24   2HD1  LEU  57          2HD1      LEU  57   1.826 -10.808  -1.686
   25   3HD1  LEU  57          3HD1      LEU  57   0.710  -9.547  -2.262
   26   1HD2  LEU  57          1HD2      LEU  57   0.553 -11.716  -5.083
   27   2HD2  LEU  57          2HD2      LEU  57  -0.033 -10.059  -4.798
   28   3HD2  LEU  57          3HD2      LEU  57   1.329 -10.343  -5.909
   29    H    CYS  58           HN       CYS  58   3.495  -9.485  -0.234
   30    HA   CYS  58           HA       CYS  58   6.114  -9.950   0.068
   31   1HB   CYS  58          2HB       CYS  58   4.474 -10.162   1.877
   32   2HB   CYS  58          3HB       CYS  58   3.851 -11.643   1.177
   33    HA   PRO  59           HA       PRO  59   6.542 -13.096  -3.050
   34   1HB   PRO  59          2HB       PRO  59   9.220 -12.758  -3.474
   35   2HB   PRO  59          3HB       PRO  59   7.992 -11.858  -4.342
   36   1HG   PRO  59          2HG       PRO  59   9.759 -10.946  -2.155
   37   2HG   PRO  59          3HG       PRO  59   8.848  -9.985  -3.303
   38   1HD   PRO  59          2HD       PRO  59   8.179 -10.467  -0.555
   39   2HD   PRO  59          3HD       PRO  59   7.211  -9.605  -1.734
   40    H    ARG  60           HN       ARG  60   7.311 -12.990   0.087
   41    HA   ARG  60           HA       ARG  60   9.002 -15.296   0.028
   42   1HB   ARG  60          2HB       ARG  60   8.321 -13.208   1.930
   43   2HB   ARG  60          3HB       ARG  60   8.031 -14.762   2.686
   44   1HG   ARG  60          2HG       ARG  60  10.353 -14.091   3.098
   45   2HG   ARG  60          3HG       ARG  60  10.340 -15.499   2.055
   46   1HD   ARG  60          2HD       ARG  60  10.239 -12.941   0.555
   47   2HD   ARG  60          3HD       ARG  60  11.685 -13.110   1.530
   48    HE   ARG  60           HE       ARG  60  11.018 -14.641  -0.851
   49   1HH1  ARG  60          1HH1      ARG  60  13.714 -16.830  -0.505
   50   2HH1  ARG  60          2HH1      ARG  60  12.483 -16.239  -1.572
   51   1HH2  ARG  60          1HH2      ARG  60  13.874 -15.999   1.656
   52   2HH2  ARG  60          2HH2      ARG  60  12.763 -14.787   2.202
   53    H    CYS  61           HN       CYS  61   5.922 -14.494   1.813
   54    HA   CYS  61           HA       CYS  61   5.264 -17.287   1.897
   55   1HB   CYS  61          2HB       CYS  61   3.379 -16.602   3.275
   56   2HB   CYS  61          3HB       CYS  61   4.854 -15.854   3.854
   57    H    LYS  62           HN       LYS  62   4.362 -14.285   0.169
   58    HA   LYS  62           HA       LYS  62   3.097 -13.901  -1.598
   59   1HB   LYS  62          2HB       LYS  62   4.361 -16.385  -2.102
   60   2HB   LYS  62          3HB       LYS  62   2.709 -16.555  -2.660
   61   1HG   LYS  62          2HG       LYS  62   2.909 -14.830  -4.241
   62   2HG   LYS  62          3HG       LYS  62   4.173 -14.008  -3.349
   63   1HD   LYS  62          2HD       LYS  62   5.840 -15.631  -4.018
   64   2HD   LYS  62          3HD       LYS  62   4.624 -16.740  -4.619
   65   1HE   LYS  62          2HE       LYS  62   5.004 -15.809  -6.665
   66   2HE   LYS  62          3HE       LYS  62   4.068 -14.444  -6.088
   67   1HZ   LYS  62          1HZ       LYS  62   5.942 -13.259  -5.653
   68   2HZ   LYS  62          2HZ       LYS  62   6.896 -14.565  -5.428
   69   3HZ   LYS  62          3HZ       LYS  62   6.464 -14.120  -6.939
   70    H    LYS  63           HN       LYS  63   1.781 -14.069   0.850
   71    HA   LYS  63           HA       LYS  63  -0.799 -15.122  -0.046
   72   1HB   LYS  63          2HB       LYS  63   0.627 -15.717   2.537
   73   2HB   LYS  63          3HB       LYS  63  -1.124 -15.690   2.484
   74   1HG   LYS  63          2HG       LYS  63  -1.258 -17.604   1.200
   75   2HG   LYS  63          3HG       LYS  63   0.165 -17.204   0.259
   76   1HD   LYS  63          2HD       LYS  63   1.461 -18.541   1.552
   77   2HD   LYS  63          3HD       LYS  63   0.982 -17.678   2.999
   78   1HE   LYS  63          2HE       LYS  63  -0.526 -19.290   3.609
   79   2HE   LYS  63          3HE       LYS  63  -1.158 -19.448   1.982
   80   1HZ   LYS  63          1HZ       LYS  63   1.311 -20.661   3.012
   81   2HZ   LYS  63          2HZ       LYS  63  -0.061 -21.440   2.590
   82   3HZ   LYS  63          3HZ       LYS  63   0.855 -20.720   1.445
   83    H    GLY  64           HN       GLY  64   0.913 -12.450   0.382
   84   1HA   GLY  64          1HA       GLY  64  -1.256 -10.747   0.747
   85   2HA   GLY  64          2HA       GLY  64  -0.506 -10.952   2.318
   86    H    TYR  65           HN       TYR  65  -0.490  -8.427   1.190
   87    HA   TYR  65           HA       TYR  65   2.119  -8.116  -0.082
   88   1HB   TYR  65          2HB       TYR  65  -0.338  -6.368   0.529
   89   2HB   TYR  65          3HB       TYR  65   1.124  -5.677  -0.148
   90    HD1  TYR  65           HD1      TYR  65  -1.805  -7.783  -0.815
   91    HD2  TYR  65           HD2      TYR  65   1.794  -6.161  -2.463
   92    HE1  TYR  65           HE1      TYR  65  -2.607  -8.365  -3.157
   93    HE2  TYR  65           HE2      TYR  65   0.981  -6.748  -4.799
   94    HH   TYR  65           HH       TYR  65  -2.170  -7.479  -5.478
   95    H    HIS  66           HN       HIS  66   3.882  -7.696   1.143
   96    HA   HIS  66           HA       HIS  66   3.981  -5.681   3.010
   97   1HB   HIS  66          2HB       HIS  66   4.205  -6.993   5.124
   98   2HB   HIS  66          3HB       HIS  66   2.576  -6.896   4.487
   99    HD1  HIS  66           HD1      HIS  66   1.345  -9.068   4.387
  100    HD2  HIS  66           HD2      HIS  66   5.504  -9.607   4.312
  101    HE1  HIS  66           HE1      HIS  66   1.740 -11.588   4.430
  102    H    TRP  67           HN       TRP  67   6.126  -5.831   4.328
  103    HA   TRP  67           HA       TRP  67   8.125  -6.729   2.476
  104   1HB   TRP  67          2HB       TRP  67   8.206  -5.256   5.105
  105   2HB   TRP  67          3HB       TRP  67   9.659  -5.773   4.272
  106    HD1  TRP  67           HD1      TRP  67   6.737  -3.278   3.867
  107    HE1  TRP  67           HE1      TRP  67   7.330  -1.394   2.116
  108    HE3  TRP  67           HE3      TRP  67  11.101  -5.369   2.307
  109    HZ2  TRP  67           HZ2      TRP  67   9.508  -1.000   0.316
  110    HZ3  TRP  67           HZ3      TRP  67  12.400  -4.170   0.549
  111    HH2  TRP  67           HH2      TRP  67  11.669  -2.058  -0.440
  112    H    LYS  68           HN       LYS  68   9.817  -8.285   3.007
  113    HA   LYS  68           HA       LYS  68   8.901 -10.630   4.098
  114   1HB   LYS  68          2HB       LYS  68  11.278 -11.322   4.085
  115   2HB   LYS  68          3HB       LYS  68  10.772 -10.568   2.587
  116   1HG   LYS  68          2HG       LYS  68  11.658  -8.338   3.722
  117   2HG   LYS  68          3HG       LYS  68  12.538  -9.431   4.771
  118   1HD   LYS  68          2HD       LYS  68  14.068  -9.882   3.154
  119   2HD   LYS  68          3HD       LYS  68  12.817 -10.291   1.997
  120   1HE   LYS  68          2HE       LYS  68  12.821  -8.192   1.037
  121   2HE   LYS  68          3HE       LYS  68  13.067  -7.373   2.567
  122   1HZ   LYS  68          1HZ       LYS  68  14.949  -7.748   0.710
  123   2HZ   LYS  68          2HZ       LYS  68  15.252  -7.409   2.279
  124   3HZ   LYS  68          3HZ       LYS  68  15.295  -8.955   1.754
  125    H    SER  69           HN       SER  69  10.946  -8.065   5.643
  126    HA   SER  69           HA       SER  69  11.090  -9.405   8.081
  127   1HB   SER  69          2HB       SER  69  12.673  -7.632   7.427
  128   2HB   SER  69          3HB       SER  69  11.384  -6.445   7.406
  129    HG   SER  69           HG       SER  69  11.783  -7.930   9.812
  130    H    GLU  70           HN       GLU  70   8.602  -7.482   6.524
  131    HA   GLU  70           HA       GLU  70   7.294  -6.937   9.030
  132   1HB   GLU  70          2HB       GLU  70   6.770  -6.179   6.142
  133   2HB   GLU  70          3HB       GLU  70   5.527  -5.948   7.355
  134   1HG   GLU  70          2HG       GLU  70   7.820  -4.900   8.588
  135   2HG   GLU  70          3HG       GLU  70   8.018  -4.426   6.913
  136    H    CYS  71           HN       CYS  71   7.565  -9.534   6.889
  137    HA   CYS  71           HA       CYS  71   4.963 -10.394   6.565
  138   1HB   CYS  71          2HB       CYS  71   6.852 -11.383   5.369
  139   2HB   CYS  71          3HB       CYS  71   7.504 -12.030   6.861
  140    H    LYS  72           HN       LYS  72   3.455 -10.791   8.146
  141    HA   LYS  72           HA       LYS  72   4.465 -11.639  10.763
  142   1HB   LYS  72          2HB       LYS  72   2.435 -10.731  11.693
  143   2HB   LYS  72          3HB       LYS  72   3.205  -9.515  10.693
  144   1HG   LYS  72          2HG       LYS  72   1.554 -10.829   8.864
  145   2HG   LYS  72          3HG       LYS  72   0.596 -10.874  10.331
  146   1HD   LYS  72          2HD       LYS  72   0.648  -8.469  10.563
  147   2HD   LYS  72          3HD       LYS  72   1.919  -8.305   9.368
  148   1HE   LYS  72          2HE       LYS  72   0.153  -7.814   7.972
  149   2HE   LYS  72          3HE       LYS  72   0.068  -9.558   7.821
  150   1HZ   LYS  72          1HZ       LYS  72  -1.407  -9.315   9.915
  151   2HZ   LYS  72          2HZ       LYS  72  -1.617  -7.785   9.383
  152   3HZ   LYS  72          3HZ       LYS  72  -2.039  -9.044   8.433
  153    H    SER  73           HN       SER  73   3.719 -13.116   8.026
  154    HA   SER  73           HA       SER  73   1.557 -14.746   8.757
  155   1HB   SER  73          2HB       SER  73   3.765 -15.100   6.684
  156   2HB   SER  73          3HB       SER  73   2.391 -16.179   6.824
  157    HG   SER  73           HG       SER  73   1.177 -13.909   6.715
  158    H    LYS  74           HN       LYS  74   1.774 -17.216   8.998
  159    HA   LYS  74           HA       LYS  74   3.776 -17.714  11.019
  160   1HB   LYS  74          2HB       LYS  74   1.208 -18.361  10.961
  161   2HB   LYS  74          3HB       LYS  74   1.796 -19.766  10.094
  162   1HG   LYS  74          2HG       LYS  74   3.397 -20.251  11.949
  163   2HG   LYS  74          3HG       LYS  74   2.832 -18.835  12.814
  164   1HD   LYS  74          2HD       LYS  74   0.447 -20.164  12.278
  165   2HD   LYS  74          3HD       LYS  74   1.556 -21.500  12.517
  166   1HE   LYS  74          2HE       LYS  74   2.331 -20.207  14.665
  167   2HE   LYS  74          3HE       LYS  74   0.865 -19.268  14.464
  168   1HZ   LYS  74          1HZ       LYS  74   0.836 -22.199  14.517
  169   2HZ   LYS  74          2HZ       LYS  74   0.696 -21.299  15.873
  170   3HZ   LYS  74          3HZ       LYS  74  -0.429 -21.182  14.695
  171    H    PHE  75           HN       PHE  75   2.848 -18.878   7.733
  172    HA   PHE  75           HA       PHE  75   5.531 -20.055   7.578
  173   1HB   PHE  75          2HB       PHE  75   2.767 -21.058   6.708
  174   2HB   PHE  75          3HB       PHE  75   4.218 -21.704   5.969
  175    HD1  PHE  75           HD1      PHE  75   5.864 -22.951   7.378
  176    HD2  PHE  75           HD2      PHE  75   2.077 -21.756   8.874
  177    HE1  PHE  75           HE1      PHE  75   6.084 -24.604   9.254
  178    HE2  PHE  75           HE2      PHE  75   2.297 -23.409  10.750
  179    HZ   PHE  75           HZ       PHE  75   4.298 -24.813  10.918
  180    H    ASP  76           HN       ASP  76   6.222 -20.396   5.215
  181    HA   ASP  76           HA       ASP  76   4.994 -18.366   3.533
  182   1HB   ASP  76          2HB       ASP  76   7.349 -17.826   2.711
  183   2HB   ASP  76          3HB       ASP  76   6.985 -17.290   4.339
  184    H    LYS  77           HN       LYS  77   6.427 -18.685   1.199
  185    HA   LYS  77           HA       LYS  77   5.488 -20.844  -0.038
  186   1HB   LYS  77          2HB       LYS  77   6.875 -18.852  -0.919
  187   2HB   LYS  77          3HB       LYS  77   8.278 -19.863  -0.637
  188   1HG   LYS  77          2HG       LYS  77   6.220 -21.413  -2.000
  189   2HG   LYS  77          3HG       LYS  77   6.510 -19.925  -2.879
  190   1HD   LYS  77          2HD       LYS  77   9.098 -20.694  -2.285
  191   2HD   LYS  77          3HD       LYS  77   8.318 -22.255  -2.449
  192   1HE   LYS  77          2HE       LYS  77   7.285 -21.207  -4.661
  193   2HE   LYS  77          3HE       LYS  77   8.601 -20.058  -4.519
  194   1HZ   LYS  77          1HZ       LYS  77   8.924 -22.979  -4.572
  195   2HZ   LYS  77          2HZ       LYS  77   9.207 -21.974  -5.828
  196   3HZ   LYS  77          3HZ       LYS  77  10.138 -21.890  -4.489
  197    H    ASP  78           HN       ASP  78   6.270 -22.971  -0.640
  198    HA   ASP  78           HA       ASP  78   7.114 -24.926  -0.238
  199   1HB   ASP  78          2HB       ASP  78   9.338 -24.161  -0.566
  200   2HB   ASP  78          3HB       ASP  78   9.324 -23.192   0.894
  201    H    GLY  79           HN       GLY  79   5.638 -23.095   1.937
  202   1HA   GLY  79          1HA       GLY  79   4.771 -23.378   3.989
  203   2HA   GLY  79          2HA       GLY  79   5.144 -25.082   3.829
  204    H    ASN  80           HN       ASN  80   7.428 -22.274   3.850
  205    HA   ASN  80           HA       ASN  80   8.977 -23.640   5.816
  206   1HB   ASN  80          2HB       ASN  80   9.268 -21.124   4.155
  207   2HB   ASN  80          3HB       ASN  80  10.276 -21.288   5.579
  208   1HD2  ASN  80          1HD2      ASN  80   9.895 -22.024   2.337
  209   2HD2  ASN  80          2HD2      ASN  80  11.130 -23.223   2.142
  210    HA   PRO  81           HA       PRO  81   7.390 -21.313   9.179
  211   1HB   PRO  81          2HB       PRO  81   9.430 -21.505  10.988
  212   2HB   PRO  81          3HB       PRO  81   8.263 -22.784  10.721
  213   1HG   PRO  81          2HG       PRO  81  11.079 -22.632   9.836
  214   2HG   PRO  81          3HG       PRO  81  10.041 -24.038   9.957
  215   1HD   PRO  81          2HD       PRO  81  10.769 -22.644   7.558
  216   2HD   PRO  81          3HD       PRO  81   9.640 -23.977   7.694
  217    H    LEU  82           HN       LEU  82   6.960 -19.235   8.678
  218    HA   LEU  82           HA       LEU  82   8.680 -17.398   7.784
  219   1HB   LEU  82          2HB       LEU  82   6.114 -17.431   8.985
  220   2HB   LEU  82          3HB       LEU  82   7.015 -16.133   9.743
  221    HG   LEU  82           HG       LEU  82   6.027 -15.033   7.988
  222   1HD1  LEU  82          1HD1      LEU  82   7.807 -14.154   6.977
  223   2HD1  LEU  82          2HD1      LEU  82   8.765 -15.404   7.807
  224   3HD1  LEU  82          3HD1      LEU  82   8.193 -15.679   6.144
  225   1HD2  LEU  82          1HD2      LEU  82   4.861 -16.759   6.896
  226   2HD2  LEU  82          2HD2      LEU  82   5.897 -16.030   5.645
  227   3HD2  LEU  82          3HD2      LEU  82   6.361 -17.576   6.396
  228    HA   PRO  83           HA       PRO  83  11.524 -17.346  11.169
  229   1HB   PRO  83          2HB       PRO  83  13.697 -16.531   9.725
  230   2HB   PRO  83          3HB       PRO  83  13.272 -18.217   9.949
  231   1HG   PRO  83          2HG       PRO  83  12.937 -16.524   7.549
  232   2HG   PRO  83          3HG       PRO  83  12.923 -18.272   7.670
  233   1HD   PRO  83          2HD       PRO  83  10.645 -16.555   7.372
  234   2HD   PRO  83          3HD       PRO  83  10.625 -18.291   7.610
  235    HA   PRO  84           HA       PRO  84  11.439 -13.234  12.203
  236   1HB   PRO  84          2HB       PRO  84  13.404 -13.047  14.093
  237   2HB   PRO  84          3HB       PRO  84  11.800 -13.665  14.436
  238   1HG   PRO  84          2HG       PRO  84  14.334 -15.156  14.127
  239   2HG   PRO  84          3HG       PRO  84  12.836 -15.678  14.873
  240   1HD   PRO  84          2HD       PRO  84  13.814 -16.422  12.281
  241   2HD   PRO  84          3HD       PRO  84  12.265 -16.851  12.979
  Start of MODEL    2
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.582  -3.200  -3.726
    9   1HB   PRO  55          2HB       PRO  55   2.917  -2.805  -6.077
   10   2HB   PRO  55          3HB       PRO  55   1.249  -2.326  -5.830
   11   1HG   PRO  55          2HG       PRO  55   3.670  -0.632  -5.921
   12   2HG   PRO  55          3HG       PRO  55   1.992  -0.159  -6.102
   13   1HD   PRO  55          2HD       PRO  55   3.638   0.204  -3.780
   14   2HD   PRO  55          3HD       PRO  55   1.930   0.570  -3.922
   15    H    GLY  56           HN       GLY  56   2.586  -4.587  -2.315
   16   1HA   GLY  56          1HA       GLY  56   5.245  -5.371  -3.234
   17   2HA   GLY  56          2HA       GLY  56   5.113  -4.798  -1.583
   18    H    LEU  57           HN       LEU  57   4.425  -7.418  -3.827
   19    HA   LEU  57           HA       LEU  57   2.657  -8.861  -2.171
   20   1HB   LEU  57          2HB       LEU  57   3.022  -9.073  -4.664
   21   2HB   LEU  57          3HB       LEU  57   4.494  -9.952  -4.300
   22    HG   LEU  57           HG       LEU  57   3.374 -11.814  -3.521
   23   1HD1  LEU  57          1HD1      LEU  57   0.866 -11.703  -2.928
   24   2HD1  LEU  57          2HD1      LEU  57   2.045 -11.025  -1.780
   25   3HD1  LEU  57          3HD1      LEU  57   1.115  -9.942  -2.844
   26   1HD2  LEU  57          1HD2      LEU  57   2.957 -11.605  -5.889
   27   2HD2  LEU  57          2HD2      LEU  57   1.530 -12.315  -5.096
   28   3HD2  LEU  57          3HD2      LEU  57   1.517 -10.603  -5.586
   29    H    CYS  58           HN       CYS  58   3.179  -9.449  -0.127
   30    HA   CYS  58           HA       CYS  58   5.639  -9.597   0.956
   31   1HB   CYS  58          2HB       CYS  58   3.546  -9.727   2.243
   32   2HB   CYS  58          3HB       CYS  58   3.259 -11.351   1.649
   33    HA   PRO  59           HA       PRO  59   7.113 -13.064  -1.403
   34   1HB   PRO  59          2HB       PRO  59   9.779 -12.567  -1.064
   35   2HB   PRO  59          3HB       PRO  59   8.835 -11.881  -2.371
   36   1HG   PRO  59          2HG       PRO  59   9.822 -10.571   0.089
   37   2HG   PRO  59          3HG       PRO  59   9.262  -9.833  -1.399
   38   1HD   PRO  59          2HD       PRO  59   7.815 -10.030   1.069
   39   2HD   PRO  59          3HD       PRO  59   7.214  -9.397  -0.450
   40    H    ARG  60           HN       ARG  60   6.891 -12.518   1.774
   41    HA   ARG  60           HA       ARG  60   8.598 -14.695   2.522
   42   1HB   ARG  60          2HB       ARG  60   7.355 -12.421   3.845
   43   2HB   ARG  60          3HB       ARG  60   6.919 -13.881   4.709
   44   1HG   ARG  60          2HG       ARG  60   9.789 -13.699   3.893
   45   2HG   ARG  60          3HG       ARG  60   9.277 -12.518   5.082
   46   1HD   ARG  60          2HD       ARG  60   8.837 -14.129   6.713
   47   2HD   ARG  60          3HD       ARG  60   8.399 -15.357   5.543
   48    HE   ARG  60           HE       ARG  60  11.110 -14.735   6.502
   49   1HH1  ARG  60          1HH1      ARG  60  12.529 -17.284   4.588
   50   2HH1  ARG  60          2HH1      ARG  60  12.793 -16.142   5.863
   51   1HH2  ARG  60          1HH2      ARG  60  10.466 -17.386   3.529
   52   2HH2  ARG  60          2HH2      ARG  60   9.191 -16.319   4.014
   53    H    CYS  61           HN       CYS  61   5.122 -13.842   3.231
   54    HA   CYS  61           HA       CYS  61   4.517 -16.627   3.557
   55   1HB   CYS  61          2HB       CYS  61   2.277 -15.851   4.172
   56   2HB   CYS  61          3HB       CYS  61   3.512 -14.992   5.070
   57    H    LYS  62           HN       LYS  62   4.080 -13.966   1.197
   58    HA   LYS  62           HA       LYS  62   3.370 -13.922  -0.892
   59   1HB   LYS  62          2HB       LYS  62   5.036 -16.021  -0.803
   60   2HB   LYS  62          3HB       LYS  62   3.577 -16.876  -1.260
   61   1HG   LYS  62          2HG       LYS  62   3.428 -15.824  -3.328
   62   2HG   LYS  62          3HG       LYS  62   4.135 -14.330  -2.745
   63   1HD   LYS  62          2HD       LYS  62   6.327 -15.069  -3.057
   64   2HD   LYS  62          3HD       LYS  62   5.919 -16.751  -2.779
   65   1HE   LYS  62          2HE       LYS  62   4.489 -16.356  -5.059
   66   2HE   LYS  62          3HE       LYS  62   5.725 -15.140  -5.310
   67   1HZ   LYS  62          1HZ       LYS  62   7.355 -16.713  -5.361
   68   2HZ   LYS  62          2HZ       LYS  62   6.528 -17.809  -4.477
   69   3HZ   LYS  62          3HZ       LYS  62   6.129 -17.553  -6.039
   70    H    LYS  63           HN       LYS  63   1.416 -13.964   1.149
   71    HA   LYS  63           HA       LYS  63  -0.744 -15.317  -0.300
   72   1HB   LYS  63          2HB       LYS  63   0.123 -15.735   2.466
   73   2HB   LYS  63          3HB       LYS  63  -1.568 -15.290   2.352
   74   1HG   LYS  63          2HG       LYS  63  -2.151 -17.215   1.196
   75   2HG   LYS  63          3HG       LYS  63  -0.619 -17.307   0.351
   76   1HD   LYS  63          2HD       LYS  63  -0.596 -19.151   1.873
   77   2HD   LYS  63          3HD       LYS  63   0.455 -17.952   2.599
   78   1HE   LYS  63          2HE       LYS  63  -1.542 -17.147   3.975
   79   2HE   LYS  63          3HE       LYS  63  -2.455 -18.503   3.344
   80   1HZ   LYS  63          1HZ       LYS  63  -0.375 -18.484   5.298
   81   2HZ   LYS  63          2HZ       LYS  63  -1.590 -19.553   5.080
   82   3HZ   LYS  63          3HZ       LYS  63  -0.222 -19.680   4.197
   83    H    GLY  64           HN       GLY  64   0.633 -12.469   0.147
   84   1HA   GLY  64          1HA       GLY  64  -1.620 -10.935  -0.383
   85   2HA   GLY  64          2HA       GLY  64  -1.364 -10.858   1.349
   86    H    TYR  65           HN       TYR  65  -1.130  -8.508  -0.059
   87    HA   TYR  65           HA       TYR  65   1.721  -8.138  -0.577
   88   1HB   TYR  65          2HB       TYR  65  -0.893  -6.570  -0.980
   89   2HB   TYR  65          3HB       TYR  65   0.662  -5.817  -1.275
   90    HD1  TYR  65           HD1      TYR  65   1.602  -5.933  -3.407
   91    HD2  TYR  65           HD2      TYR  65  -1.329  -8.835  -2.270
   92    HE1  TYR  65           HE1      TYR  65   1.599  -6.868  -5.772
   93    HE2  TYR  65           HE2      TYR  65  -1.322  -9.760  -4.638
   94    HH   TYR  65           HH       TYR  65  -0.253  -9.765  -6.562
   95    H    HIS  66           HN       HIS  66   3.021  -7.403   1.022
   96    HA   HIS  66           HA       HIS  66   2.451  -5.165   2.519
   97   1HB   HIS  66          2HB       HIS  66   2.115  -6.159   4.775
   98   2HB   HIS  66          3HB       HIS  66   0.749  -6.346   3.693
   99    HD1  HIS  66           HD1      HIS  66  -0.241  -8.634   3.675
  100    HD2  HIS  66           HD2      HIS  66   3.821  -8.689   4.721
  101    HE1  HIS  66           HE1      HIS  66   0.325 -11.063   4.213
  102    H    TRP  67           HN       TRP  67   4.152  -4.851   4.300
  103    HA   TRP  67           HA       TRP  67   6.642  -5.793   3.262
  104   1HB   TRP  67          2HB       TRP  67   5.799  -3.935   5.462
  105   2HB   TRP  67          3HB       TRP  67   7.458  -4.493   5.365
  106    HD1  TRP  67           HD1      TRP  67   4.908  -2.505   3.198
  107    HE1  TRP  67           HE1      TRP  67   6.160  -0.867   1.550
  108    HE3  TRP  67           HE3      TRP  67   9.599  -4.101   4.340
  109    HZ2  TRP  67           HZ2      TRP  67   8.910  -0.433   0.924
  110    HZ3  TRP  67           HZ3      TRP  67  11.512  -3.017   3.165
  111    HH2  TRP  67           HH2      TRP  67  11.226  -1.243   1.508
  112    H    LYS  68           HN       LYS  68   8.206  -7.089   4.458
  113    HA   LYS  68           HA       LYS  68   7.176  -9.363   5.589
  114   1HB   LYS  68          2HB       LYS  68   9.909  -8.081   5.788
  115   2HB   LYS  68          3HB       LYS  68   9.554  -9.655   6.470
  116   1HG   LYS  68          2HG       LYS  68   8.533 -10.103   4.021
  117   2HG   LYS  68          3HG       LYS  68   9.631  -8.813   3.574
  118   1HD   LYS  68          2HD       LYS  68  10.658 -11.084   5.293
  119   2HD   LYS  68          3HD       LYS  68  10.450 -11.349   3.573
  120   1HE   LYS  68          2HE       LYS  68  11.924  -9.420   3.063
  121   2HE   LYS  68          3HE       LYS  68  12.075  -9.053   4.770
  122   1HZ   LYS  68          1HZ       LYS  68  12.743 -11.744   3.981
  123   2HZ   LYS  68          2HZ       LYS  68  13.773 -10.575   3.493
  124   3HZ   LYS  68          3HZ       LYS  68  13.458 -10.773   5.083
  125    H    SER  69           HN       SER  69   8.515  -6.430   7.249
  126    HA   SER  69           HA       SER  69   8.021  -7.442   9.799
  127   1HB   SER  69          2HB       SER  69   8.394  -5.092  10.541
  128   2HB   SER  69          3HB       SER  69   9.626  -5.636   9.419
  129    HG   SER  69           HG       SER  69   8.038  -3.476   9.196
  130    H    GLU  70           HN       GLU  70   5.992  -5.971   7.343
  131    HA   GLU  70           HA       GLU  70   3.986  -5.229   9.264
  132   1HB   GLU  70          2HB       GLU  70   4.208  -4.989   6.242
  133   2HB   GLU  70          3HB       GLU  70   2.715  -4.619   7.082
  134   1HG   GLU  70          2HG       GLU  70   5.290  -3.369   8.063
  135   2HG   GLU  70          3HG       GLU  70   4.527  -2.715   6.628
  136    H    CYS  71           HN       CYS  71   5.009  -8.065   7.744
  137    HA   CYS  71           HA       CYS  71   2.692  -9.234   6.839
  138   1HB   CYS  71          2HB       CYS  71   4.921 -10.194   6.489
  139   2HB   CYS  71          3HB       CYS  71   5.069 -10.544   8.200
  140    H    LYS  72           HN       LYS  72   0.790  -9.639   7.910
  141    HA   LYS  72           HA       LYS  72   0.958  -9.951  10.824
  142   1HB   LYS  72          2HB       LYS  72  -0.488  -8.109   9.349
  143   2HB   LYS  72          3HB       LYS  72  -1.679  -9.349   9.686
  144   1HG   LYS  72          2HG       LYS  72  -1.416  -9.142  12.049
  145   2HG   LYS  72          3HG       LYS  72   0.134  -8.337  11.902
  146   1HD   LYS  72          2HD       LYS  72  -0.832  -6.282  11.706
  147   2HD   LYS  72          3HD       LYS  72  -1.976  -6.843  10.504
  148   1HE   LYS  72          2HE       LYS  72  -2.468  -7.800  13.299
  149   2HE   LYS  72          3HE       LYS  72  -2.688  -6.081  13.040
  150   1HZ   LYS  72          1HZ       LYS  72  -3.877  -8.008  11.196
  151   2HZ   LYS  72          2HZ       LYS  72  -4.626  -7.636  12.600
  152   3HZ   LYS  72          3HZ       LYS  72  -4.330  -6.468  11.497
  153    H    SER  73           HN       SER  73   1.134 -11.853   8.265
  154    HA   SER  73           HA       SER  73  -1.117 -13.510   8.577
  155   1HB   SER  73          2HB       SER  73   1.566 -13.790   7.193
  156   2HB   SER  73          3HB       SER  73   0.476 -15.159   7.285
  157    HG   SER  73           HG       SER  73   0.043 -14.056   5.345
  158    H    LYS  74           HN       LYS  74  -0.945 -15.880   9.269
  159    HA   LYS  74           HA       LYS  74   0.446 -15.965  11.799
  160   1HB   LYS  74          2HB       LYS  74  -1.889 -17.230  10.590
  161   2HB   LYS  74          3HB       LYS  74  -0.863 -18.398  11.398
  162   1HG   LYS  74          2HG       LYS  74  -2.447 -17.519  13.029
  163   2HG   LYS  74          3HG       LYS  74  -0.849 -16.935  13.448
  164   1HD   LYS  74          2HD       LYS  74  -1.399 -14.748  13.039
  165   2HD   LYS  74          3HD       LYS  74  -2.279 -15.139  11.575
  166   1HE   LYS  74          2HE       LYS  74  -4.301 -15.353  12.676
  167   2HE   LYS  74          3HE       LYS  74  -3.575 -16.061  14.105
  168   1HZ   LYS  74          1HZ       LYS  74  -4.245 -13.958  14.740
  169   2HZ   LYS  74          2HZ       LYS  74  -2.642 -13.765  14.492
  170   3HZ   LYS  74          3HZ       LYS  74  -3.711 -13.232  13.378
  171    H    PHE  75           HN       PHE  75   0.488 -17.575   8.582
  172    HA   PHE  75           HA       PHE  75   3.089 -18.689   9.356
  173   1HB   PHE  75          2HB       PHE  75   0.669 -19.864   7.893
  174   2HB   PHE  75          3HB       PHE  75   2.263 -20.538   7.620
  175    HD1  PHE  75           HD1      PHE  75  -0.527 -20.298   9.919
  176    HD2  PHE  75           HD2      PHE  75   3.474 -21.643   9.480
  177    HE1  PHE  75           HE1      PHE  75  -0.790 -21.743  11.954
  178    HE2  PHE  75           HE2      PHE  75   3.211 -23.088  11.516
  179    HZ   PHE  75           HZ       PHE  75   1.082 -23.121  12.728
  180    H    ASP  76           HN       ASP  76   4.459 -19.257   7.381
  181    HA   ASP  76           HA       ASP  76   3.775 -17.510   5.159
  182   1HB   ASP  76          2HB       ASP  76   6.260 -16.956   5.012
  183   2HB   ASP  76          3HB       ASP  76   5.420 -16.251   6.379
  184    H    LYS  77           HN       LYS  77   5.848 -18.041   3.421
  185    HA   LYS  77           HA       LYS  77   5.345 -20.377   2.252
  186   1HB   LYS  77          2HB       LYS  77   7.292 -20.082   1.003
  187   2HB   LYS  77          3HB       LYS  77   6.891 -18.462   1.536
  188   1HG   LYS  77          2HG       LYS  77   9.010 -18.339   2.352
  189   2HG   LYS  77          3HG       LYS  77   8.477 -19.409   3.633
  190   1HD   LYS  77          2HD       LYS  77   9.192 -21.387   2.372
  191   2HD   LYS  77          3HD       LYS  77   9.540 -20.416   0.955
  192   1HE   LYS  77          2HE       LYS  77  11.684 -20.434   1.783
  193   2HE   LYS  77          3HE       LYS  77  11.105 -19.111   2.776
  194   1HZ   LYS  77          1HZ       LYS  77  11.494 -20.367   4.521
  195   2HZ   LYS  77          2HZ       LYS  77  10.382 -21.459   4.033
  196   3HZ   LYS  77          3HZ       LYS  77  11.945 -21.632   3.593
  197    H    ASP  78           HN       ASP  78   6.285 -22.522   2.195
  198    HA   ASP  78           HA       ASP  78   6.985 -24.371   3.082
  199   1HB   ASP  78          2HB       ASP  78   9.201 -23.553   3.330
  200   2HB   ASP  78          3HB       ASP  78   8.743 -22.409   4.575
  201    H    GLY  79           HN       GLY  79   4.908 -22.363   4.459
  202   1HA   GLY  79          1HA       GLY  79   3.468 -22.431   6.181
  203   2HA   GLY  79          2HA       GLY  79   3.889 -24.122   6.366
  204    H    ASN  80           HN       ASN  80   6.053 -21.241   6.683
  205    HA   ASN  80           HA       ASN  80   6.948 -22.271   9.184
  206   1HB   ASN  80          2HB       ASN  80   7.698 -19.967   7.366
  207   2HB   ASN  80          3HB       ASN  80   8.235 -19.905   9.033
  208   1HD2  ASN  80          1HD2      ASN  80   8.855 -21.047   5.952
  209   2HD2  ASN  80          2HD2      ASN  80  10.102 -22.200   6.290
  210    HA   PRO  81           HA       PRO  81   4.408 -19.627  11.594
  211   1HB   PRO  81          2HB       PRO  81   5.821 -19.489  13.929
  212   2HB   PRO  81          3HB       PRO  81   4.801 -20.849  13.505
  213   1HG   PRO  81          2HG       PRO  81   7.751 -20.664  13.472
  214   2HG   PRO  81          3HG       PRO  81   6.741 -22.096  13.470
  215   1HD   PRO  81          2HD       PRO  81   8.132 -20.974  11.227
  216   2HD   PRO  81          3HD       PRO  81   7.030 -22.337  11.202
  217    H    LEU  82           HN       LEU  82   4.132 -17.657  10.696
  218    HA   LEU  82           HA       LEU  82   6.021 -15.860  10.120
  219   1HB   LEU  82          2HB       LEU  82   3.214 -15.877  10.475
  220   2HB   LEU  82          3HB       LEU  82   3.816 -14.455  11.303
  221    HG   LEU  82           HG       LEU  82   3.420 -13.607   9.213
  222   1HD1  LEU  82          1HD1      LEU  82   5.421 -12.792   8.662
  223   2HD1  LEU  82          2HD1      LEU  82   6.078 -13.875   9.912
  224   3HD1  LEU  82          3HD1      LEU  82   6.049 -14.395   8.210
  225   1HD2  LEU  82          1HD2      LEU  82   2.639 -15.493   8.046
  226   2HD2  LEU  82          2HD2      LEU  82   4.005 -14.880   7.082
  227   3HD2  LEU  82          3HD2      LEU  82   4.221 -16.306   8.124
  228    HA   PRO  83           HA       PRO  83   7.697 -15.233  14.163
  229   1HB   PRO  83          2HB       PRO  83  10.198 -14.499  13.342
  230   2HB   PRO  83          3HB       PRO  83   9.743 -16.161  13.656
  231   1HG   PRO  83          2HG       PRO  83  10.138 -14.808  11.058
  232   2HG   PRO  83          3HG       PRO  83  10.105 -16.525  11.408
  233   1HD   PRO  83          2HD       PRO  83   8.010 -14.978  10.207
  234   2HD   PRO  83          3HD       PRO  83   7.935 -16.668  10.663
  235    HA   PRO  84           HA       PRO  84   7.454 -11.021  14.624
  236   1HB   PRO  84          2HB       PRO  84   9.206 -10.418  16.634
  237   2HB   PRO  84          3HB       PRO  84   7.617 -11.100  16.920
  238   1HG   PRO  84          2HG       PRO  84  10.256 -12.424  17.065
  239   2HG   PRO  84          3HG       PRO  84   8.727 -12.947  17.743
  240   1HD   PRO  84          2HD       PRO  84  10.002 -13.977  15.389
  241   2HD   PRO  84          3HD       PRO  84   8.420 -14.417  16.003
  Start of MODEL    3
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.062  -3.597  -2.868
    9   1HB   PRO  55          2HB       PRO  55  -0.581  -3.224  -5.019
   10   2HB   PRO  55          3HB       PRO  55  -1.176  -3.436  -3.384
   11   1HG   PRO  55          2HG       PRO  55  -1.014  -0.960  -4.991
   12   2HG   PRO  55          3HG       PRO  55  -1.971  -1.278  -3.558
   13   1HD   PRO  55          2HD       PRO  55   0.457   0.244  -3.699
   14   2HD   PRO  55          3HD       PRO  55  -0.438  -0.172  -2.250
   15    H    GLY  56           HN       GLY  56   1.185  -4.811  -5.138
   16   1HA   GLY  56          1HA       GLY  56   2.776  -3.528  -7.096
   17   2HA   GLY  56          2HA       GLY  56   3.800  -4.440  -6.005
   18    H    LEU  57           HN       LEU  57   4.115  -5.549  -8.275
   19    HA   LEU  57           HA       LEU  57   2.062  -7.171  -9.276
   20   1HB   LEU  57          2HB       LEU  57   4.178  -6.371 -10.413
   21   2HB   LEU  57          3HB       LEU  57   5.032  -7.628  -9.539
   22    HG   LEU  57           HG       LEU  57   4.073  -9.343 -10.759
   23   1HD1  LEU  57          1HD1      LEU  57   1.769  -9.007 -10.454
   24   2HD1  LEU  57          2HD1      LEU  57   1.788  -7.452 -11.319
   25   3HD1  LEU  57          3HD1      LEU  57   2.010  -8.973 -12.217
   26   1HD2  LEU  57          1HD2      LEU  57   3.942  -8.456 -13.213
   27   2HD2  LEU  57          2HD2      LEU  57   4.494  -6.926 -12.488
   28   3HD2  LEU  57          3HD2      LEU  57   5.481  -8.398 -12.321
   29    H    CYS  58           HN       CYS  58   1.019  -8.686  -8.092
   30    HA   CYS  58           HA       CYS  58   1.783  -9.800  -5.784
   31   1HB   CYS  58          2HB       CYS  58  -0.438 -10.101  -6.790
   32   2HB   CYS  58          3HB       CYS  58   0.230 -11.183  -7.996
   33    HA   PRO  59           HA       PRO  59   5.323 -12.022  -7.315
   34   1HB   PRO  59          2HB       PRO  59   6.653 -12.176  -4.933
   35   2HB   PRO  59          3HB       PRO  59   6.834 -10.835  -6.046
   36   1HG   PRO  59          2HG       PRO  59   5.346 -10.937  -3.495
   37   2HG   PRO  59          3HG       PRO  59   5.891  -9.534  -4.392
   38   1HD   PRO  59          2HD       PRO  59   3.216 -10.564  -4.275
   39   2HD   PRO  59          3HD       PRO  59   3.784  -9.232  -5.262
   40    H    ARG  60           HN       ARG  60   2.728 -12.917  -5.617
   41    HA   ARG  60           HA       ARG  60   3.804 -15.439  -4.794
   42   1HB   ARG  60          2HB       ARG  60   1.438 -13.832  -4.213
   43   2HB   ARG  60          3HB       ARG  60   0.942 -15.457  -4.645
   44   1HG   ARG  60          2HG       ARG  60   1.309 -15.509  -2.276
   45   2HG   ARG  60          3HG       ARG  60   2.688 -16.329  -2.981
   46   1HD   ARG  60          2HD       ARG  60   3.021 -13.377  -2.662
   47   2HD   ARG  60          3HD       ARG  60   2.876 -14.266  -1.159
   48    HE   ARG  60           HE       ARG  60   4.745 -15.502  -3.047
   49   1HH1  ARG  60          1HH1      ARG  60   7.542 -14.509  -1.213
   50   2HH1  ARG  60          2HH1      ARG  60   6.960 -15.525  -2.489
   51   1HH2  ARG  60          1HH2      ARG  60   6.072 -13.125  -0.070
   52   2HH2  ARG  60          2HH2      ARG  60   4.392 -13.107  -0.493
   53    H    CYS  61           HN       CYS  61   0.969 -14.394  -6.843
   54    HA   CYS  61           HA       CYS  61   1.114 -16.920  -8.238
   55   1HB   CYS  61          2HB       CYS  61  -1.002 -16.303  -9.229
   56   2HB   CYS  61          3HB       CYS  61  -1.078 -16.034  -7.499
   57    H    LYS  62           HN       LYS  62   1.631 -13.391  -8.693
   58    HA   LYS  62           HA       LYS  62   2.723 -12.247 -10.233
   59   1HB   LYS  62          2HB       LYS  62   4.034 -14.802 -10.227
   60   2HB   LYS  62          3HB       LYS  62   3.985 -14.202 -11.873
   61   1HG   LYS  62          2HG       LYS  62   4.681 -11.894 -10.606
   62   2HG   LYS  62          3HG       LYS  62   5.354 -13.041  -9.465
   63   1HD   LYS  62          2HD       LYS  62   6.365 -14.197 -11.631
   64   2HD   LYS  62          3HD       LYS  62   6.064 -12.644 -12.384
   65   1HE   LYS  62          2HE       LYS  62   7.294 -11.706 -10.193
   66   2HE   LYS  62          3HE       LYS  62   7.962 -13.325 -10.134
   67   1HZ   LYS  62          1HZ       LYS  62   8.688 -13.014 -12.425
   68   2HZ   LYS  62          2HZ       LYS  62   8.126 -11.481 -12.415
   69   3HZ   LYS  62          3HZ       LYS  62   9.353 -11.907 -11.425
   70    H    LYS  63           HN       LYS  63   0.035 -12.648 -10.634
   71    HA   LYS  63           HA       LYS  63  -0.051 -12.713 -13.549
   72   1HB   LYS  63          2HB       LYS  63  -1.480 -14.561 -11.701
   73   2HB   LYS  63          3HB       LYS  63  -2.411 -13.905 -13.032
   74   1HG   LYS  63          2HG       LYS  63  -1.485 -15.554 -14.299
   75   2HG   LYS  63          3HG       LYS  63  -0.026 -14.584 -14.291
   76   1HD   LYS  63          2HD       LYS  63   0.935 -15.823 -12.480
   77   2HD   LYS  63          3HD       LYS  63  -0.606 -16.519 -12.020
   78   1HE   LYS  63          2HE       LYS  63   0.020 -18.338 -13.243
   79   2HE   LYS  63          3HE       LYS  63  -0.360 -17.376 -14.657
   80   1HZ   LYS  63          1HZ       LYS  63   2.177 -18.154 -13.652
   81   2HZ   LYS  63          2HZ       LYS  63   1.763 -17.655 -15.151
   82   3HZ   LYS  63          3HZ       LYS  63   2.114 -16.558 -13.993
   83    H    GLY  64           HN       GLY  64  -0.126 -10.787 -11.069
   84   1HA   GLY  64          1HA       GLY  64  -1.674  -8.797 -12.156
   85   2HA   GLY  64          2HA       GLY  64  -2.758  -9.673 -11.094
   86    H    TYR  65           HN       TYR  65  -1.746  -6.905 -10.793
   87    HA   TYR  65           HA       TYR  65   0.192  -7.029  -8.662
   88   1HB   TYR  65          2HB       TYR  65  -1.564  -4.894 -10.018
   89   2HB   TYR  65          3HB       TYR  65  -0.450  -4.486  -8.728
   90    HD1  TYR  65           HD1      TYR  65  -0.714  -5.629 -12.229
   91    HD2  TYR  65           HD2      TYR  65   1.939  -4.380  -9.114
   92    HE1  TYR  65           HE1      TYR  65   1.162  -5.362 -13.924
   93    HE2  TYR  65           HE2      TYR  65   3.806  -4.117 -10.820
   94    HH   TYR  65           HH       TYR  65   3.822  -5.484 -13.697
   95    H    HIS  66           HN       HIS  66  -0.297  -7.368  -6.557
   96    HA   HIS  66           HA       HIS  66  -2.299  -6.032  -5.224
   97   1HB   HIS  66          2HB       HIS  66  -3.875  -7.937  -4.760
   98   2HB   HIS  66          3HB       HIS  66  -3.986  -7.228  -6.358
   99    HD1  HIS  66           HD1      HIS  66  -3.943  -8.843  -8.273
  100    HD2  HIS  66           HD2      HIS  66  -2.238 -10.459  -4.798
  101    HE1  HIS  66           HE1      HIS  66  -3.402 -11.278  -8.808
  102    H    TRP  67           HN       TRP  67  -2.720  -7.217  -2.964
  103    HA   TRP  67           HA       TRP  67  -0.086  -7.905  -2.028
  104   1HB   TRP  67          2HB       TRP  67  -2.735  -7.395  -0.684
  105   2HB   TRP  67          3HB       TRP  67  -1.340  -7.987   0.197
  106    HD1  TRP  67           HD1      TRP  67  -2.523  -4.829  -1.699
  107    HE1  TRP  67           HE1      TRP  67  -1.099  -2.718  -1.005
  108    HE3  TRP  67           HE3      TRP  67   0.863  -7.381   1.109
  109    HZ2  TRP  67           HZ2      TRP  67   1.231  -2.361   0.603
  110    HZ3  TRP  67           HZ3      TRP  67   2.681  -6.075   2.207
  111    HH2  TRP  67           HH2      TRP  67   2.896  -3.650   1.990
  112    H    LYS  68           HN       LYS  68   0.434  -9.923  -0.956
  113    HA   LYS  68           HA       LYS  68  -0.448 -12.183  -2.238
  114   1HB   LYS  68          2HB       LYS  68   0.633 -13.399  -0.333
  115   2HB   LYS  68          3HB       LYS  68   1.639 -12.186  -1.097
  116   1HG   LYS  68          2HG       LYS  68   1.990 -11.434   1.034
  117   2HG   LYS  68          3HG       LYS  68   0.428 -10.662   0.847
  118   1HD   LYS  68          2HD       LYS  68  -0.565 -12.944   1.690
  119   2HD   LYS  68          3HD       LYS  68   1.066 -13.293   2.228
  120   1HE   LYS  68          2HE       LYS  68  -0.127 -10.620   2.972
  121   2HE   LYS  68          3HE       LYS  68  -0.702 -12.041   3.821
  122   1HZ   LYS  68          1HZ       LYS  68   1.596 -10.678   4.319
  123   2HZ   LYS  68          2HZ       LYS  68   1.171 -12.122   4.952
  124   3HZ   LYS  68          3HZ       LYS  68   2.106 -12.060   3.615
  125    H    SER  69           HN       SER  69  -1.515 -10.818   0.945
  126    HA   SER  69           HA       SER  69  -3.351 -12.860   1.409
  127   1HB   SER  69          2HB       SER  69  -4.048 -11.573   3.273
  128   2HB   SER  69          3HB       SER  69  -2.364 -11.139   3.062
  129    HG   SER  69           HG       SER  69  -3.250  -9.286   1.702
  130    H    GLU  70           HN       GLU  70  -3.380  -9.987  -0.617
  131    HA   GLU  70           HA       GLU  70  -6.253 -10.004  -0.790
  132   1HB   GLU  70          2HB       GLU  70  -4.090  -8.252  -2.019
  133   2HB   GLU  70          3HB       GLU  70  -5.779  -8.094  -2.461
  134   1HG   GLU  70          2HG       GLU  70  -4.866  -8.002   0.444
  135   2HG   GLU  70          3HG       GLU  70  -4.901  -6.565  -0.557
  136    H    CYS  71           HN       CYS  71  -3.696 -11.751  -2.122
  137    HA   CYS  71           HA       CYS  71  -4.159 -11.805  -4.812
  138   1HB   CYS  71          2HB       CYS  71  -2.269 -12.942  -3.786
  139   2HB   CYS  71          3HB       CYS  71  -3.332 -14.075  -2.974
  140    H    LYS  72           HN       LYS  72  -6.033 -12.208  -5.932
  141    HA   LYS  72           HA       LYS  72  -7.990 -13.976  -4.641
  142   1HB   LYS  72          2HB       LYS  72  -8.231 -11.345  -5.725
  143   2HB   LYS  72          3HB       LYS  72  -9.146 -12.428  -6.754
  144   1HG   LYS  72          2HG       LYS  72 -10.100 -13.420  -4.523
  145   2HG   LYS  72          3HG       LYS  72  -9.459 -11.977  -3.763
  146   1HD   LYS  72          2HD       LYS  72 -10.970 -11.361  -6.224
  147   2HD   LYS  72          3HD       LYS  72 -11.949 -12.210  -5.044
  148   1HE   LYS  72          2HE       LYS  72 -10.609 -10.358  -3.451
  149   2HE   LYS  72          3HE       LYS  72 -10.832  -9.460  -4.939
  150   1HZ   LYS  72          1HZ       LYS  72 -12.902  -9.159  -4.303
  151   2HZ   LYS  72          2HZ       LYS  72 -13.199 -10.757  -4.468
  152   3HZ   LYS  72          3HZ       LYS  72 -12.745 -10.155  -3.019
  153    H    SER  73           HN       SER  73  -5.493 -14.333  -6.578
  154    HA   SER  73           HA       SER  73  -6.692 -15.317  -8.933
  155   1HB   SER  73          2HB       SER  73  -3.950 -15.192  -7.752
  156   2HB   SER  73          3HB       SER  73  -4.215 -16.486  -8.904
  157    HG   SER  73           HG       SER  73  -4.353 -13.650  -9.304
  158    H    LYS  74           HN       LYS  74  -6.657 -17.626  -9.642
  159    HA   LYS  74           HA       LYS  74  -7.572 -19.314  -7.524
  160   1HB   LYS  74          2HB       LYS  74  -7.247 -19.684 -10.510
  161   2HB   LYS  74          3HB       LYS  74  -7.809 -20.962  -9.452
  162   1HG   LYS  74          2HG       LYS  74  -9.498 -19.070  -8.589
  163   2HG   LYS  74          3HG       LYS  74  -9.153 -18.345 -10.147
  164   1HD   LYS  74          2HD       LYS  74 -10.795 -19.709 -10.952
  165   2HD   LYS  74          3HD       LYS  74  -9.594 -20.982 -10.870
  166   1HE   LYS  74          2HE       LYS  74 -10.759 -22.053  -9.242
  167   2HE   LYS  74          3HE       LYS  74 -10.742 -20.624  -8.229
  168   1HZ   LYS  74          1HZ       LYS  74 -12.550 -20.381 -10.399
  169   2HZ   LYS  74          2HZ       LYS  74 -12.906 -21.662  -9.451
  170   3HZ   LYS  74          3HZ       LYS  74 -12.813 -20.167  -8.801
  171    H    PHE  75           HN       PHE  75  -4.808 -19.398  -9.880
  172    HA   PHE  75           HA       PHE  75  -3.472 -21.188  -7.973
  173   1HB   PHE  75          2HB       PHE  75  -3.626 -20.926 -11.003
  174   2HB   PHE  75          3HB       PHE  75  -2.146 -21.567 -10.319
  175    HD1  PHE  75           HD1      PHE  75  -5.518 -22.295 -11.267
  176    HD2  PHE  75           HD2      PHE  75  -2.302 -23.635  -8.845
  177    HE1  PHE  75           HE1      PHE  75  -6.565 -24.573 -11.137
  178    HE2  PHE  75           HE2      PHE  75  -3.348 -25.912  -8.714
  179    HZ   PHE  75           HZ       PHE  75  -5.467 -26.354  -9.861
  180    H    ASP  76           HN       ASP  76  -1.078 -20.969  -7.855
  181    HA   ASP  76           HA       ASP  76  -0.221 -18.303  -8.646
  182   1HB   ASP  76          2HB       ASP  76   0.760 -17.880  -6.524
  183   2HB   ASP  76          3HB       ASP  76  -0.808 -18.562  -6.141
  184    H    LYS  77           HN       LYS  77   2.438 -18.376  -7.902
  185    HA   LYS  77           HA       LYS  77   3.755 -19.744  -9.764
  186   1HB   LYS  77          2HB       LYS  77   4.518 -18.121  -7.808
  187   2HB   LYS  77          3HB       LYS  77   5.019 -19.620  -7.051
  188   1HG   LYS  77          2HG       LYS  77   6.718 -19.978  -8.562
  189   2HG   LYS  77          3HG       LYS  77   5.775 -19.401  -9.922
  190   1HD   LYS  77          2HD       LYS  77   7.076 -17.534  -9.842
  191   2HD   LYS  77          3HD       LYS  77   6.126 -17.070  -8.444
  192   1HE   LYS  77          2HE       LYS  77   8.291 -18.985  -7.785
  193   2HE   LYS  77          3HE       LYS  77   8.889 -17.485  -8.465
  194   1HZ   LYS  77          1HZ       LYS  77   8.694 -17.040  -6.239
  195   2HZ   LYS  77          2HZ       LYS  77   7.294 -16.419  -6.808
  196   3HZ   LYS  77          3HZ       LYS  77   7.298 -17.867  -6.051
  197    H    ASP  78           HN       ASP  78   4.901 -21.765  -9.950
  198    HA   ASP  78           HA       ASP  78   5.114 -23.917  -9.798
  199   1HB   ASP  78          2HB       ASP  78   5.967 -23.756  -7.578
  200   2HB   ASP  78          3HB       ASP  78   4.411 -23.298  -6.914
  201    H    GLY  79           HN       GLY  79   2.320 -22.390 -10.013
  202   1HA   GLY  79          1HA       GLY  79   0.178 -22.934 -10.412
  203   2HA   GLY  79          2HA       GLY  79   0.739 -24.565 -10.725
  204    H    ASN  80           HN       ASN  80   0.848 -22.620  -7.665
  205    HA   ASN  80           HA       ASN  80  -0.264 -24.876  -6.299
  206   1HB   ASN  80          2HB       ASN  80   0.971 -22.226  -5.507
  207   2HB   ASN  80          3HB       ASN  80  -0.041 -23.041  -4.331
  208   1HD2  ASN  80          1HD2      ASN  80   3.014 -22.781  -5.671
  209   2HD2  ASN  80          2HD2      ASN  80   3.762 -24.203  -5.024
  210    HA   PRO  81           HA       PRO  81  -4.287 -23.114  -6.251
  211   1HB   PRO  81          2HB       PRO  81  -5.449 -24.595  -4.269
  212   2HB   PRO  81          3HB       PRO  81  -5.268 -25.170  -5.915
  213   1HG   PRO  81          2HG       PRO  81  -3.733 -25.931  -3.506
  214   2HG   PRO  81          3HG       PRO  81  -3.864 -26.775  -5.036
  215   1HD   PRO  81          2HD       PRO  81  -1.646 -25.198  -4.130
  216   2HD   PRO  81          3HD       PRO  81  -1.827 -25.946  -5.705
  217    H    LEU  82           HN       LEU  82  -4.241 -20.982  -5.766
  218    HA   LEU  82           HA       LEU  82  -3.295 -19.843  -3.545
  219   1HB   LEU  82          2HB       LEU  82  -5.419 -19.193  -5.480
  220   2HB   LEU  82          3HB       LEU  82  -5.518 -18.325  -3.961
  221    HG   LEU  82           HG       LEU  82  -4.275 -16.910  -5.318
  222   1HD1  LEU  82          1HD1      LEU  82  -3.192 -17.559  -3.074
  223   2HD1  LEU  82          2HD1      LEU  82  -1.991 -18.422  -4.064
  224   3HD1  LEU  82          3HD1      LEU  82  -2.211 -16.666  -4.261
  225   1HD2  LEU  82          1HD2      LEU  82  -3.954 -18.449  -7.189
  226   2HD2  LEU  82          2HD2      LEU  82  -2.446 -17.592  -6.791
  227   3HD2  LEU  82          3HD2      LEU  82  -2.665 -19.286  -6.291
  228    HA   PRO  83           HA       PRO  83  -5.861 -21.834  -0.545
  229   1HB   PRO  83          2HB       PRO  83  -4.099 -21.641   1.535
  230   2HB   PRO  83          3HB       PRO  83  -4.130 -23.000   0.429
  231   1HG   PRO  83          2HG       PRO  83  -2.200 -20.765   0.565
  232   2HG   PRO  83          3HG       PRO  83  -2.024 -22.321  -0.222
  233   1HD   PRO  83          2HD       PRO  83  -2.573 -19.808  -1.491
  234   2HD   PRO  83          3HD       PRO  83  -2.512 -21.380  -2.263
  235    HA   PRO  84           HA       PRO  84  -7.539 -18.533   1.523
  236   1HB   PRO  84          2HB       PRO  84  -8.551 -19.607   3.823
  237   2HB   PRO  84          3HB       PRO  84  -9.355 -19.734   2.272
  238   1HG   PRO  84          2HG       PRO  84  -7.854 -21.803   3.755
  239   2HG   PRO  84          3HG       PRO  84  -9.001 -22.006   2.447
  240   1HD   PRO  84          2HD       PRO  84  -6.144 -22.182   2.266
  241   2HD   PRO  84          3HD       PRO  84  -7.285 -22.269   0.939
  Start of MODEL    4
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.660  -3.186  -3.759
    9   1HB   PRO  55          2HB       PRO  55   3.194  -2.851  -5.995
   10   2HB   PRO  55          3HB       PRO  55   1.532  -2.307  -5.883
   11   1HG   PRO  55          2HG       PRO  55   4.016  -0.708  -5.780
   12   2HG   PRO  55          3HG       PRO  55   2.377  -0.172  -6.095
   13   1HD   PRO  55          2HD       PRO  55   3.843   0.136  -3.649
   14   2HD   PRO  55          3HD       PRO  55   2.168   0.567  -3.928
   15    H    GLY  56           HN       GLY  56   2.992  -3.621  -1.620
   16   1HA   GLY  56          1HA       GLY  56   4.933  -5.553  -2.433
   17   2HA   GLY  56          2HA       GLY  56   5.689  -4.133  -1.737
   18    H    LEU  57           HN       LEU  57   6.369  -5.843  -0.079
   19    HA   LEU  57           HA       LEU  57   4.573  -7.121   1.573
   20   1HB   LEU  57          2HB       LEU  57   7.088  -7.388   1.357
   21   2HB   LEU  57          3HB       LEU  57   7.241  -6.008   2.427
   22    HG   LEU  57           HG       LEU  57   6.473  -7.160   4.277
   23   1HD1  LEU  57          1HD1      LEU  57   5.218  -9.342   4.121
   24   2HD1  LEU  57          2HD1      LEU  57   4.349  -7.907   3.526
   25   3HD1  LEU  57          3HD1      LEU  57   5.078  -9.048   2.371
   26   1HD2  LEU  57          1HD2      LEU  57   8.540  -8.135   3.948
   27   2HD2  LEU  57          2HD2      LEU  57   7.478  -9.559   4.076
   28   3HD2  LEU  57          3HD2      LEU  57   8.023  -8.996   2.478
   29    H    CYS  58           HN       CYS  58   2.860  -6.204   2.578
   30    HA   CYS  58           HA       CYS  58   2.415  -3.622   3.080
   31   1HB   CYS  58          2HB       CYS  58   0.754  -5.392   3.437
   32   2HB   CYS  58          3HB       CYS  58   1.607  -5.942   4.865
   33    HA   PRO  59           HA       PRO  59   5.738  -2.963   5.970
   34   1HB   PRO  59          2HB       PRO  59   5.984  -0.273   5.560
   35   2HB   PRO  59          3HB       PRO  59   6.853  -1.469   4.619
   36   1HG   PRO  59          2HG       PRO  59   4.509   0.156   3.840
   37   2HG   PRO  59          3HG       PRO  59   5.635  -0.709   2.814
   38   1HD   PRO  59          2HD       PRO  59   2.972  -1.520   3.505
   39   2HD   PRO  59          3HD       PRO  59   4.139  -2.439   2.574
   40    H    ARG  60           HN       ARG  60   2.565  -2.389   6.089
   41    HA   ARG  60           HA       ARG  60   2.688  -0.642   8.351
   42   1HB   ARG  60          2HB       ARG  60   0.671  -1.522   6.437
   43   2HB   ARG  60          3HB       ARG  60   0.062  -1.756   8.064
   44   1HG   ARG  60          2HG       ARG  60   1.299   0.856   7.076
   45   2HG   ARG  60          3HG       ARG  60  -0.424   0.536   7.079
   46   1HD   ARG  60          2HD       ARG  60  -0.563   1.113   9.271
   47   2HD   ARG  60          3HD       ARG  60   0.603  -0.122   9.701
   48    HE   ARG  60           HE       ARG  60   1.888   2.218   8.536
   49   1HH1  ARG  60          1HH1      ARG  60   2.992   3.439  11.614
   50   2HH1  ARG  60          2HH1      ARG  60   3.150   3.556   9.893
   51   1HH2  ARG  60          1HH2      ARG  60   1.497   1.925  12.541
   52   2HH2  ARG  60          2HH2      ARG  60   0.541   0.911  11.512
   53    H    CYS  61           HN       CYS  61   1.153  -3.890   7.703
   54    HA   CYS  61           HA       CYS  61   1.326  -4.475  10.526
   55   1HB   CYS  61          2HB       CYS  61  -0.076  -6.376  10.055
   56   2HB   CYS  61          3HB       CYS  61  -0.752  -4.971   9.255
   57    H    LYS  62           HN       LYS  62   2.691  -5.426   7.343
   58    HA   LYS  62           HA       LYS  62   4.500  -6.565   6.792
   59   1HB   LYS  62          2HB       LYS  62   5.683  -5.161   8.385
   60   2HB   LYS  62          3HB       LYS  62   5.242  -6.218   9.711
   61   1HG   LYS  62          2HG       LYS  62   6.953  -7.643   9.255
   62   2HG   LYS  62          3HG       LYS  62   6.484  -7.771   7.571
   63   1HD   LYS  62          2HD       LYS  62   7.849  -5.962   6.906
   64   2HD   LYS  62          3HD       LYS  62   7.863  -5.246   8.505
   65   1HE   LYS  62          2HE       LYS  62   9.580  -6.609   9.261
   66   2HE   LYS  62          3HE       LYS  62   9.060  -7.984   8.309
   67   1HZ   LYS  62          1HZ       LYS  62   9.885  -6.822   6.346
   68   2HZ   LYS  62          2HZ       LYS  62  10.438  -5.602   7.281
   69   3HZ   LYS  62          3HZ       LYS  62  11.072  -7.100   7.433
   70    H    LYS  63           HN       LYS  63   2.181  -7.995   7.020
   71    HA   LYS  63           HA       LYS  63   3.221 -10.555   7.958
   72   1HB   LYS  63          2HB       LYS  63   0.893  -9.108   9.055
   73   2HB   LYS  63          3HB       LYS  63   0.567 -10.771   8.609
   74   1HG   LYS  63          2HG       LYS  63   2.101 -11.643  10.154
   75   2HG   LYS  63          3HG       LYS  63   3.105 -10.206  10.136
   76   1HD   LYS  63          2HD       LYS  63   2.059  -9.472  12.006
   77   2HD   LYS  63          3HD       LYS  63   0.560  -9.356  11.106
   78   1HE   LYS  63          2HE       LYS  63  -0.194 -10.918  12.607
   79   2HE   LYS  63          3HE       LYS  63   0.624 -12.062  11.562
   80   1HZ   LYS  63          1HZ       LYS  63   1.164 -11.697  14.152
   81   2HZ   LYS  63          2HZ       LYS  63   2.179 -12.402  13.085
   82   3HZ   LYS  63          3HZ       LYS  63   2.354 -10.821  13.456
   83    H    GLY  64           HN       GLY  64   2.606  -8.852   5.374
   84   1HA   GLY  64          1HA       GLY  64   2.139 -10.923   3.637
   85   2HA   GLY  64          2HA       GLY  64   0.544 -10.318   4.038
   86    H    TYR  65           HN       TYR  65   1.808 -10.177   1.416
   87    HA   TYR  65           HA       TYR  65   2.685  -7.441   1.109
   88   1HB   TYR  65          2HB       TYR  65   2.088  -9.862  -0.695
   89   2HB   TYR  65          3HB       TYR  65   2.620  -8.333  -1.365
   90    HD1  TYR  65           HD1      TYR  65   4.925  -7.642  -1.240
   91    HD2  TYR  65           HD2      TYR  65   3.624 -11.200   0.750
   92    HE1  TYR  65           HE1      TYR  65   7.344  -8.332  -0.875
   93    HE2  TYR  65           HE2      TYR  65   6.048 -11.877   1.108
   94    HH   TYR  65           HH       TYR  65   8.687  -9.737   0.085
   95    H    HIS  66           HN       HIS  66   1.397  -5.729   0.633
   96    HA   HIS  66           HA       HIS  66  -0.698  -5.769  -1.118
   97   1HB   HIS  66          2HB       HIS  66  -2.647  -5.562   0.486
   98   2HB   HIS  66          3HB       HIS  66  -2.016  -7.175   0.217
   99    HD1  HIS  66           HD1      HIS  66  -1.346  -8.495   2.259
  100    HD2  HIS  66           HD2      HIS  66  -1.735  -4.393   3.050
  101    HE1  HIS  66           HE1      HIS  66  -1.103  -8.228   4.785
  102    H    TRP  67           HN       TRP  67  -2.140  -3.692  -0.793
  103    HA   TRP  67           HA       TRP  67  -0.303  -1.568  -0.282
  104   1HB   TRP  67          2HB       TRP  67  -3.140  -1.770  -1.239
  105   2HB   TRP  67          3HB       TRP  67  -2.482  -0.219  -0.756
  106    HD1  TRP  67           HD1      TRP  67  -1.807  -3.000  -3.389
  107    HE1  TRP  67           HE1      TRP  67  -0.573  -2.009  -5.500
  108    HE3  TRP  67           HE3      TRP  67  -1.148   1.663  -1.470
  109    HZ2  TRP  67           HZ2      TRP  67   0.516   0.556  -6.117
  110    HZ3  TRP  67           HZ3      TRP  67   0.010   3.351  -2.892
  111    HH2  TRP  67           HH2      TRP  67   0.830   2.860  -5.142
  112    H    LYS  68           HN       LYS  68  -0.524   0.074   1.370
  113    HA   LYS  68           HA       LYS  68  -1.060  -0.867   3.890
  114   1HB   LYS  68          2HB       LYS  68   0.294   0.991   3.852
  115   2HB   LYS  68          3HB       LYS  68  -0.681   1.832   2.664
  116   1HG   LYS  68          2HG       LYS  68  -2.440   2.262   4.341
  117   2HG   LYS  68          3HG       LYS  68  -1.587   1.301   5.533
  118   1HD   LYS  68          2HD       LYS  68  -0.350   3.097   6.145
  119   2HD   LYS  68          3HD       LYS  68   0.264   3.263   4.512
  120   1HE   LYS  68          2HE       LYS  68  -2.253   4.305   4.175
  121   2HE   LYS  68          3HE       LYS  68  -1.977   4.722   5.854
  122   1HZ   LYS  68          1HZ       LYS  68  -0.233   5.403   3.591
  123   2HZ   LYS  68          2HZ       LYS  68  -1.146   6.436   4.467
  124   3HZ   LYS  68          3HZ       LYS  68   0.140   5.701   5.153
  125    H    SER  69           HN       SER  69  -3.180   1.123   1.724
  126    HA   SER  69           HA       SER  69  -5.281   1.160   3.568
  127   1HB   SER  69          2HB       SER  69  -4.907   2.752   1.614
  128   2HB   SER  69          3HB       SER  69  -5.457   1.480   0.541
  129    HG   SER  69           HG       SER  69  -6.941   2.928   2.531
  130    H    GLU  70           HN       GLU  70  -4.073  -1.222   1.309
  131    HA   GLU  70           HA       GLU  70  -6.595  -2.578   1.139
  132   1HB   GLU  70          2HB       GLU  70  -3.815  -3.136   0.043
  133   2HB   GLU  70          3HB       GLU  70  -5.109  -4.309  -0.105
  134   1HG   GLU  70          2HG       GLU  70  -5.497  -1.427  -0.999
  135   2HG   GLU  70          3HG       GLU  70  -4.754  -2.608  -2.059
  136    H    CYS  71           HN       CYS  71  -4.222  -2.257   3.483
  137    HA   CYS  71           HA       CYS  71  -3.679  -4.840   4.278
  138   1HB   CYS  71          2HB       CYS  71  -2.501  -2.897   5.177
  139   2HB   CYS  71          3HB       CYS  71  -3.961  -2.331   5.964
  140    H    LYS  72           HN       LYS  72  -5.142  -6.436   4.776
  141    HA   LYS  72           HA       LYS  72  -7.697  -5.580   5.934
  142   1HB   LYS  72          2HB       LYS  72  -6.910  -7.674   3.984
  143   2HB   LYS  72          3HB       LYS  72  -8.120  -8.147   5.159
  144   1HG   LYS  72          2HG       LYS  72  -8.360  -5.520   3.646
  145   2HG   LYS  72          3HG       LYS  72  -8.919  -7.021   2.935
  146   1HD   LYS  72          2HD       LYS  72 -10.617  -7.320   4.549
  147   2HD   LYS  72          3HD       LYS  72  -9.803  -6.330   5.744
  148   1HE   LYS  72          2HE       LYS  72 -10.575  -4.328   4.831
  149   2HE   LYS  72          3HE       LYS  72 -10.618  -4.959   3.197
  150   1HZ   LYS  72          1HZ       LYS  72 -12.793  -4.605   4.446
  151   2HZ   LYS  72          2HZ       LYS  72 -12.621  -5.978   3.580
  152   3HZ   LYS  72          3HZ       LYS  72 -12.454  -6.011   5.204
  153    H    SER  73           HN       SER  73  -4.824  -6.202   7.110
  154    HA   SER  73           HA       SER  73  -5.301  -8.497   8.685
  155   1HB   SER  73          2HB       SER  73  -3.121  -6.650   8.162
  156   2HB   SER  73          3HB       SER  73  -3.282  -6.875   9.892
  157    HG   SER  73           HG       SER  73  -3.452  -9.238   8.348
  158    H    LYS  74           HN       LYS  74  -5.687  -8.569  11.009
  159    HA   LYS  74           HA       LYS  74  -7.521  -6.597  11.872
  160   1HB   LYS  74          2HB       LYS  74  -7.195  -9.193  12.436
  161   2HB   LYS  74          3HB       LYS  74  -6.303  -8.533  13.791
  162   1HG   LYS  74          2HG       LYS  74  -9.039  -7.418  13.103
  163   2HG   LYS  74          3HG       LYS  74  -8.911  -8.915  14.005
  164   1HD   LYS  74          2HD       LYS  74  -7.880  -7.874  15.860
  165   2HD   LYS  74          3HD       LYS  74  -7.291  -6.524  14.910
  166   1HE   LYS  74          2HE       LYS  74  -9.136  -5.714  16.269
  167   2HE   LYS  74          3HE       LYS  74  -9.684  -5.750  14.605
  168   1HZ   LYS  74          1HZ       LYS  74 -10.783  -7.064  16.757
  169   2HZ   LYS  74          2HZ       LYS  74 -11.254  -7.151  15.195
  170   3HZ   LYS  74          3HZ       LYS  74 -10.178  -8.229  15.785
  171    H    PHE  75           HN       PHE  75  -4.101  -7.414  12.712
  172    HA   PHE  75           HA       PHE  75  -3.954  -4.757  13.952
  173   1HB   PHE  75          2HB       PHE  75  -3.296  -7.513  14.866
  174   2HB   PHE  75          3HB       PHE  75  -1.922  -6.436  15.019
  175    HD1  PHE  75           HD1      PHE  75  -1.809  -6.318  17.377
  176    HD2  PHE  75           HD2      PHE  75  -5.459  -5.426  15.406
  177    HE1  PHE  75           HE1      PHE  75  -2.750  -5.423  19.525
  178    HE2  PHE  75           HE2      PHE  75  -6.400  -4.530  17.554
  179    HZ   PHE  75           HZ       PHE  75  -5.034  -4.539  19.588
  180    H    ASP  76           HN       ASP  76  -1.580  -3.966  14.076
  181    HA   ASP  76           HA       ASP  76  -0.084  -4.983  11.806
  182   1HB   ASP  76          2HB       ASP  76   0.247  -2.826  10.867
  183   2HB   ASP  76          3HB       ASP  76  -1.459  -2.859  11.265
  184    H    LYS  77           HN       LYS  77   2.152  -3.366  11.900
  185    HA   LYS  77           HA       LYS  77   3.703  -4.250  13.870
  186   1HB   LYS  77          2HB       LYS  77   3.721  -1.666  12.334
  187   2HB   LYS  77          3HB       LYS  77   4.922  -1.942  13.579
  188   1HG   LYS  77          2HG       LYS  77   4.932  -4.366  12.192
  189   2HG   LYS  77          3HG       LYS  77   4.653  -3.203  10.911
  190   1HD   LYS  77          2HD       LYS  77   6.755  -2.387  12.855
  191   2HD   LYS  77          3HD       LYS  77   7.139  -3.841  11.955
  192   1HE   LYS  77          2HE       LYS  77   7.887  -2.360  10.367
  193   2HE   LYS  77          3HE       LYS  77   6.197  -2.287   9.911
  194   1HZ   LYS  77          1HZ       LYS  77   7.159  -0.109  10.279
  195   2HZ   LYS  77          2HZ       LYS  77   5.932  -0.385  11.321
  196   3HZ   LYS  77          3HZ       LYS  77   7.478  -0.476  11.839
  197    H    ASP  78           HN       ASP  78   4.463  -3.506  15.949
  198    HA   ASP  78           HA       ASP  78   4.217  -2.762  17.969
  199   1HB   ASP  78          2HB       ASP  78   4.328  -0.496  17.240
  200   2HB   ASP  78          3HB       ASP  78   2.758  -0.570  16.467
  201    H    GLY  79           HN       GLY  79   1.967  -4.329  16.332
  202   1HA   GLY  79          1HA       GLY  79   0.005  -5.325  16.784
  203   2HA   GLY  79          2HA       GLY  79   0.325  -5.003  18.476
  204    H    ASN  80           HN       ASN  80  -0.164  -2.658  15.757
  205    HA   ASN  80           HA       ASN  80  -2.049  -1.273  17.394
  206   1HB   ASN  80          2HB       ASN  80  -0.686  -0.795  14.734
  207   2HB   ASN  80          3HB       ASN  80  -2.150   0.106  15.073
  208   1HD2  ASN  80          1HD2      ASN  80   1.168  -0.069  15.473
  209   2HD2  ASN  80          2HD2      ASN  80   1.401   1.145  16.686
  210    HA   PRO  81           HA       PRO  81  -5.524  -3.056  15.391
  211   1HB   PRO  81          2HB       PRO  81  -7.463  -1.224  15.986
  212   2HB   PRO  81          3HB       PRO  81  -6.929  -2.454  17.114
  213   1HG   PRO  81          2HG       PRO  81  -6.321   0.439  17.102
  214   2HG   PRO  81          3HG       PRO  81  -6.164  -0.711  18.416
  215   1HD   PRO  81          2HD       PRO  81  -4.044   0.354  16.803
  216   2HD   PRO  81          3HD       PRO  81  -3.902  -0.881  18.038
  217    H    LEU  82           HN       LEU  82  -5.270  -3.276  13.237
  218    HA   LEU  82           HA       LEU  82  -4.778  -1.346  11.460
  219   1HB   LEU  82          2HB       LEU  82  -5.905  -3.997  11.422
  220   2HB   LEU  82          3HB       LEU  82  -6.673  -3.003  10.199
  221    HG   LEU  82           HG       LEU  82  -4.911  -3.959   9.048
  222   1HD1  LEU  82          1HD1      LEU  82  -4.834  -1.231   9.469
  223   2HD1  LEU  82          2HD1      LEU  82  -3.147  -1.732   9.732
  224   3HD1  LEU  82          3HD1      LEU  82  -3.964  -2.127   8.201
  225   1HD2  LEU  82          1HD2      LEU  82  -3.281  -3.624  11.567
  226   2HD2  LEU  82          2HD2      LEU  82  -3.748  -5.124  10.731
  227   3HD2  LEU  82          3HD2      LEU  82  -2.549  -4.033   9.997
  228    HA   PRO  83           HA       PRO  83  -8.361   1.166  12.090
  229   1HB   PRO  83          2HB       PRO  83  -7.222   3.521  11.300
  230   2HB   PRO  83          3HB       PRO  83  -7.186   2.947  12.955
  231   1HG   PRO  83          2HG       PRO  83  -5.010   2.971  10.953
  232   2HG   PRO  83          3HG       PRO  83  -4.898   2.808  12.694
  233   1HD   PRO  83          2HD       PRO  83  -4.643   0.710  10.755
  234   2HD   PRO  83          3HD       PRO  83  -4.647   0.531  12.498
  235    HA   PRO  84           HA       PRO  84  -9.950   1.546   8.171
  236   1HB   PRO  84          2HB       PRO  84 -11.534   3.772   8.232
  237   2HB   PRO  84          3HB       PRO  84 -12.027   2.226   8.894
  238   1HG   PRO  84          2HG       PRO  84 -11.150   4.660  10.324
  239   2HG   PRO  84          3HG       PRO  84 -12.035   3.281  10.945
  240   1HD   PRO  84          2HD       PRO  84  -9.251   3.850  11.335
  241   2HD   PRO  84          3HD       PRO  84 -10.110   2.415  11.857
  Start of MODEL    5
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.106  -3.689  -2.679
    9   1HB   PRO  55          2HB       PRO  55  -0.962  -3.485  -4.454
   10   2HB   PRO  55          3HB       PRO  55  -1.195  -3.745  -2.737
   11   1HG   PRO  55          2HG       PRO  55  -1.594  -1.273  -4.308
   12   2HG   PRO  55          3HG       PRO  55  -2.210  -1.674  -2.717
   13   1HD   PRO  55          2HD       PRO  55  -0.016   0.073  -3.316
   14   2HD   PRO  55          3HD       PRO  55  -0.559  -0.420  -1.725
   15    H    GLY  56           HN       GLY  56   0.237  -1.698  -5.458
   16   1HA   GLY  56          1HA       GLY  56   1.313  -1.380  -7.415
   17   2HA   GLY  56          2HA       GLY  56   2.787  -1.989  -6.688
   18    H    LEU  57           HN       LEU  57  -0.476  -3.218  -7.737
   19    HA   LEU  57           HA       LEU  57   0.455  -5.850  -8.118
   20   1HB   LEU  57          2HB       LEU  57  -1.901  -5.064  -7.680
   21   2HB   LEU  57          3HB       LEU  57  -1.968  -4.544  -9.352
   22    HG   LEU  57           HG       LEU  57  -2.030  -6.695 -10.182
   23   1HD1  LEU  57          1HD1      LEU  57  -0.085  -7.693  -9.378
   24   2HD1  LEU  57          2HD1      LEU  57  -0.572  -7.507  -7.676
   25   3HD1  LEU  57          3HD1      LEU  57  -1.384  -8.709  -8.708
   26   1HD2  LEU  57          1HD2      LEU  57  -4.006  -7.286  -9.361
   27   2HD2  LEU  57          2HD2      LEU  57  -3.277  -7.798  -7.819
   28   3HD2  LEU  57          3HD2      LEU  57  -3.759  -6.101  -8.056
   29    H    CYS  58           HN       CYS  58   2.069  -6.324  -9.523
   30    HA   CYS  58           HA       CYS  58   2.971  -4.854 -11.569
   31   1HB   CYS  58          2HB       CYS  58   4.072  -6.890 -10.759
   32   2HB   CYS  58          3HB       CYS  58   2.818  -7.885 -11.474
   33    HA   PRO  59           HA       PRO  59  -0.668  -5.051 -14.122
   34   1HB   PRO  59          2HB       PRO  59  -0.174  -2.775 -15.552
   35   2HB   PRO  59          3HB       PRO  59  -1.057  -2.783 -14.039
   36   1HG   PRO  59          2HG       PRO  59   1.717  -1.905 -14.561
   37   2HG   PRO  59          3HG       PRO  59   0.688  -1.537 -13.191
   38   1HD   PRO  59          2HD       PRO  59   2.852  -3.418 -13.255
   39   2HD   PRO  59          3HD       PRO  59   1.751  -3.133 -11.923
   40    H    ARG  60           HN       ARG  60   2.443  -5.733 -14.669
   41    HA   ARG  60           HA       ARG  60   2.204  -5.815 -17.518
   42   1HB   ARG  60          2HB       ARG  60   4.352  -5.906 -15.558
   43   2HB   ARG  60          3HB       ARG  60   4.500  -7.294 -16.618
   44   1HG   ARG  60          2HG       ARG  60   3.864  -5.087 -18.314
   45   2HG   ARG  60          3HG       ARG  60   5.064  -4.490 -17.185
   46   1HD   ARG  60          2HD       ARG  60   5.611  -7.202 -18.336
   47   2HD   ARG  60          3HD       ARG  60   5.690  -5.868 -19.470
   48    HE   ARG  60           HE       ARG  60   7.129  -5.360 -16.963
   49   1HH1  ARG  60          1HH1      ARG  60  10.249  -5.655 -18.499
   50   2HH1  ARG  60          2HH1      ARG  60   9.402  -5.151 -17.074
   51   1HH2  ARG  60          1HH2      ARG  60   9.075  -6.542 -20.294
   52   2HH2  ARG  60          2HH2      ARG  60   7.352  -6.700 -20.209
   53    H    CYS  61           HN       CYS  61   3.149  -8.282 -15.001
   54    HA   CYS  61           HA       CYS  61   2.226 -10.377 -16.734
   55   1HB   CYS  61          2HB       CYS  61   3.129 -11.895 -15.064
   56   2HB   CYS  61          3HB       CYS  61   4.305 -10.653 -15.445
   57    H    LYS  62           HN       LYS  62   1.264  -8.603 -13.777
   58    HA   LYS  62           HA       LYS  62  -0.606  -8.555 -12.605
   59   1HB   LYS  62          2HB       LYS  62  -1.424  -8.531 -15.185
   60   2HB   LYS  62          3HB       LYS  62  -2.255  -9.971 -14.632
   61   1HG   LYS  62          2HG       LYS  62  -2.404  -7.672 -12.743
   62   2HG   LYS  62          3HG       LYS  62  -3.181  -7.386 -14.287
   63   1HD   LYS  62          2HD       LYS  62  -3.699  -9.947 -12.731
   64   2HD   LYS  62          3HD       LYS  62  -4.589  -8.481 -12.371
   65   1HE   LYS  62          2HE       LYS  62  -5.936  -8.774 -14.177
   66   2HE   LYS  62          3HE       LYS  62  -4.557  -8.898 -15.252
   67   1HZ   LYS  62          1HZ       LYS  62  -5.699 -11.082 -13.654
   68   2HZ   LYS  62          2HZ       LYS  62  -5.784 -10.918 -15.276
   69   3HZ   LYS  62          3HZ       LYS  62  -4.347 -11.217 -14.559
   70    H    LYS  63           HN       LYS  63   1.182 -10.588 -11.978
   71    HA   LYS  63           HA       LYS  63  -0.698 -12.651 -11.103
   72   1HB   LYS  63          2HB       LYS  63   1.680 -13.004 -12.825
   73   2HB   LYS  63          3HB       LYS  63   1.595 -14.096 -11.458
   74   1HG   LYS  63          2HG       LYS  63  -0.478 -15.025 -12.154
   75   2HG   LYS  63          3HG       LYS  63  -0.872 -13.646 -13.161
   76   1HD   LYS  63          2HD       LYS  63   1.638 -14.859 -14.047
   77   2HD   LYS  63          3HD       LYS  63   0.373 -16.069 -13.975
   78   1HE   LYS  63          2HE       LYS  63  -0.970 -13.942 -15.148
   79   2HE   LYS  63          3HE       LYS  63   0.647 -13.727 -15.789
   80   1HZ   LYS  63          1HZ       LYS  63   0.308 -16.344 -16.063
   81   2HZ   LYS  63          2HZ       LYS  63  -1.228 -15.833 -16.279
   82   3HZ   LYS  63          3HZ       LYS  63  -0.034 -15.257 -17.233
   83    H    GLY  64           HN       GLY  64   0.954 -10.096 -10.154
   84   1HA   GLY  64          1HA       GLY  64   1.174 -10.812  -7.486
   85   2HA   GLY  64          2HA       GLY  64   2.758 -11.068  -8.191
   86    H    TYR  65           HN       TYR  65   2.479  -9.137  -6.216
   87    HA   TYR  65           HA       TYR  65   2.219  -6.584  -7.604
   88   1HB   TYR  65          2HB       TYR  65   2.582  -7.563  -4.708
   89   2HB   TYR  65          3HB       TYR  65   2.571  -5.857  -5.107
   90    HD1  TYR  65           HD1      TYR  65   0.499  -4.737  -5.807
   91    HD2  TYR  65           HD2      TYR  65   0.531  -8.889  -4.774
   92    HE1  TYR  65           HE1      TYR  65  -2.037  -4.718  -5.623
   93    HE2  TYR  65           HE2      TYR  65  -2.005  -8.856  -4.594
   94    HH   TYR  65           HH       TYR  65  -3.803  -7.683  -4.761
   95    H    HIS  66           HN       HIS  66   3.971  -5.535  -8.391
   96    HA   HIS  66           HA       HIS  66   6.306  -5.175  -6.997
   97   1HB   HIS  66          2HB       HIS  66   7.877  -6.610  -8.335
   98   2HB   HIS  66          3HB       HIS  66   6.885  -7.456  -7.164
   99    HD1  HIS  66           HD1      HIS  66   5.638  -9.458  -8.016
  100    HD2  HIS  66           HD2      HIS  66   6.753  -6.846 -11.104
  101    HE1  HIS  66           HE1      HIS  66   4.991 -10.612 -10.198
  102    H    TRP  67           HN       TRP  67   8.157  -4.429  -8.668
  103    HA   TRP  67           HA       TRP  67   6.792  -2.591 -10.426
  104   1HB   TRP  67          2HB       TRP  67   9.668  -2.918  -9.573
  105   2HB   TRP  67          3HB       TRP  67   9.156  -1.751 -10.776
  106    HD1  TRP  67           HD1      TRP  67   8.875  -2.427  -6.989
  107    HE1  TRP  67           HE1      TRP  67   8.116  -0.261  -5.686
  108    HE3  TRP  67           HE3      TRP  67   7.888   0.355 -11.129
  109    HZ2  TRP  67           HZ2      TRP  67   7.208   2.314  -6.515
  110    HZ3  TRP  67           HZ3      TRP  67   7.069   2.686 -10.794
  111    HH2  TRP  67           HH2      TRP  67   6.726   3.672  -8.585
  112    H    LYS  68           HN       LYS  68   7.225  -2.461 -12.732
  113    HA   LYS  68           HA       LYS  68   7.176  -4.879 -14.043
  114   1HB   LYS  68          2HB       LYS  68   8.047  -2.186 -15.135
  115   2HB   LYS  68          3HB       LYS  68   7.512  -3.559 -16.083
  116   1HG   LYS  68          2HG       LYS  68   5.286  -3.273 -15.514
  117   2HG   LYS  68          3HG       LYS  68   5.656  -2.716 -13.894
  118   1HD   LYS  68          2HD       LYS  68   6.144  -0.492 -14.637
  119   2HD   LYS  68          3HD       LYS  68   6.318  -0.992 -16.308
  120   1HE   LYS  68          2HE       LYS  68   3.886  -1.509 -16.430
  121   2HE   LYS  68          3HE       LYS  68   3.694  -1.084 -14.741
  122   1HZ   LYS  68          1HZ       LYS  68   3.338   0.633 -16.673
  123   2HZ   LYS  68          2HZ       LYS  68   3.879   1.093 -15.202
  124   3HZ   LYS  68          3HZ       LYS  68   4.932   0.898 -16.435
  125    H    SER  69           HN       SER  69   9.965  -2.634 -13.488
  126    HA   SER  69           HA       SER  69  11.771  -4.278 -14.840
  127   1HB   SER  69          2HB       SER  69  13.505  -2.875 -13.645
  128   2HB   SER  69          3HB       SER  69  12.302  -1.948 -14.521
  129    HG   SER  69           HG       SER  69  11.250  -1.422 -12.584
  130    H    GLU  70           HN       GLU  70  10.259  -4.455 -11.708
  131    HA   GLU  70           HA       GLU  70  12.378  -6.128 -10.673
  132   1HB   GLU  70          2HB       GLU  70   9.880  -4.909  -9.443
  133   2HB   GLU  70          3HB       GLU  70  10.820  -6.121  -8.596
  134   1HG   GLU  70          2HG       GLU  70  12.425  -3.890  -9.759
  135   2HG   GLU  70          3HG       GLU  70  11.315  -3.409  -8.490
  136    H    CYS  71           HN       CYS  71   9.666  -6.439 -12.636
  137    HA   CYS  71           HA       CYS  71   8.260  -8.556 -11.637
  138   1HB   CYS  71          2HB       CYS  71   7.582  -7.322 -13.634
  139   2HB   CYS  71          3HB       CYS  71   8.953  -7.946 -14.529
  140    H    LYS  72           HN       LYS  72   8.991 -10.535 -10.946
  141    HA   LYS  72           HA       LYS  72  11.395 -11.589 -12.260
  142   1HB   LYS  72          2HB       LYS  72  11.265 -11.012  -9.696
  143   2HB   LYS  72          3HB       LYS  72  10.407 -12.535  -9.584
  144   1HG   LYS  72          2HG       LYS  72  12.503 -13.307 -11.169
  145   2HG   LYS  72          3HG       LYS  72  13.275 -12.016 -10.271
  146   1HD   LYS  72          2HD       LYS  72  13.633 -13.615  -8.676
  147   2HD   LYS  72          3HD       LYS  72  11.963 -13.322  -8.232
  148   1HE   LYS  72          2HE       LYS  72  11.172 -15.224  -9.433
  149   2HE   LYS  72          3HE       LYS  72  12.616 -15.321 -10.421
  150   1HZ   LYS  72          1HZ       LYS  72  12.173 -16.292  -7.758
  151   2HZ   LYS  72          2HZ       LYS  72  13.151 -16.872  -8.930
  152   3HZ   LYS  72          3HZ       LYS  72  13.639 -15.617  -8.005
  153    H    SER  73           HN       SER  73   8.278 -11.688 -12.835
  154    HA   SER  73           HA       SER  73   7.647 -14.404 -12.484
  155   1HB   SER  73          2HB       SER  73   6.366 -12.003 -13.470
  156   2HB   SER  73          3HB       SER  73   6.114 -13.286 -14.637
  157    HG   SER  73           HG       SER  73   5.044 -14.527 -13.125
  158    H    LYS  74           HN       LYS  74   6.766 -15.525 -14.774
  159    HA   LYS  74           HA       LYS  74   9.217 -15.941 -16.234
  160   1HB   LYS  74          2HB       LYS  74   6.711 -17.395 -15.746
  161   2HB   LYS  74          3HB       LYS  74   7.275 -17.523 -17.400
  162   1HG   LYS  74          2HG       LYS  74   9.060 -18.822 -16.814
  163   2HG   LYS  74          3HG       LYS  74   9.482 -17.789 -15.463
  164   1HD   LYS  74          2HD       LYS  74   8.143 -18.966 -13.949
  165   2HD   LYS  74          3HD       LYS  74   7.004 -19.475 -15.180
  166   1HE   LYS  74          2HE       LYS  74   9.647 -20.582 -15.753
  167   2HE   LYS  74          3HE       LYS  74   9.177 -20.978 -14.112
  168   1HZ   LYS  74          1HZ       LYS  74   7.264 -21.322 -16.286
  169   2HZ   LYS  74          2HZ       LYS  74   8.406 -22.459 -16.018
  170   3HZ   LYS  74          3HZ       LYS  74   7.329 -22.090 -14.847
  171    H    PHE  75           HN       PHE  75   5.770 -15.317 -17.218
  172    HA   PHE  75           HA       PHE  75   6.851 -13.529 -19.270
  173   1HB   PHE  75          2HB       PHE  75   4.888 -15.872 -19.420
  174   2HB   PHE  75          3HB       PHE  75   4.782 -14.583 -20.602
  175    HD1  PHE  75           HD1      PHE  75   6.576 -14.245 -22.238
  176    HD2  PHE  75           HD2      PHE  75   6.719 -17.447 -19.457
  177    HE1  PHE  75           HE1      PHE  75   8.356 -15.360 -23.613
  178    HE2  PHE  75           HE2      PHE  75   8.499 -18.562 -20.832
  179    HZ   PHE  75           HZ       PHE  75   9.296 -17.505 -22.894
  180    H    ASP  76           HN       ASP  76   5.325 -11.877 -20.015
  181    HA   ASP  76           HA       ASP  76   3.184 -11.491 -18.073
  182   1HB   ASP  76          2HB       ASP  76   3.629  -9.168 -18.024
  183   2HB   ASP  76          3HB       ASP  76   5.228  -9.885 -18.032
  184    H    LYS  77           HN       LYS  77   1.720  -9.476 -19.227
  185    HA   LYS  77           HA       LYS  77   0.155 -10.555 -21.083
  186   1HB   LYS  77          2HB       LYS  77   0.358  -8.102 -19.899
  187   2HB   LYS  77          3HB       LYS  77   0.684  -7.685 -21.569
  188   1HG   LYS  77          2HG       LYS  77  -1.424  -9.264 -22.047
  189   2HG   LYS  77          3HG       LYS  77  -1.805  -8.915 -20.372
  190   1HD   LYS  77          2HD       LYS  77  -1.023  -6.492 -21.869
  191   2HD   LYS  77          3HD       LYS  77  -2.414  -7.290 -22.577
  192   1HE   LYS  77          2HE       LYS  77  -2.538  -7.122 -19.616
  193   2HE   LYS  77          3HE       LYS  77  -2.490  -5.555 -20.399
  194   1HZ   LYS  77          1HZ       LYS  77  -4.383  -6.092 -21.644
  195   2HZ   LYS  77          2HZ       LYS  77  -4.331  -7.675 -21.245
  196   3HZ   LYS  77          3HZ       LYS  77  -4.727  -6.561 -20.118
  197    H    ASP  78           HN       ASP  78  -0.094 -10.400 -23.429
  198    HA   ASP  78           HA       ASP  78   0.599 -10.592 -25.474
  199   1HB   ASP  78          2HB       ASP  78   1.422  -8.370 -25.557
  200   2HB   ASP  78          3HB       ASP  78   2.709  -8.700 -24.414
  201    H    GLY  79           HN       GLY  79   1.887 -12.098 -22.931
  202   1HA   GLY  79          1HA       GLY  79   3.233 -13.868 -22.614
  203   2HA   GLY  79          2HA       GLY  79   3.213 -14.111 -24.349
  204    H    ASN  80           HN       ASN  80   4.411 -11.191 -22.600
  205    HA   ASN  80           HA       ASN  80   6.817 -11.322 -24.080
  206   1HB   ASN  80          2HB       ASN  80   5.620  -9.491 -21.989
  207   2HB   ASN  80          3HB       ASN  80   7.348  -9.385 -22.265
  208   1HD2  ASN  80          1HD2      ASN  80   4.279  -8.472 -23.294
  209   2HD2  ASN  80          2HD2      ASN  80   4.673  -7.731 -24.809
  210    HA   PRO  81           HA       PRO  81   9.026 -13.571 -21.015
  211   1HB   PRO  81          2HB       PRO  81  11.578 -13.210 -21.924
  212   2HB   PRO  81          3HB       PRO  81  10.489 -14.416 -22.580
  213   1HG   PRO  81          2HG       PRO  81  11.318 -11.833 -23.754
  214   2HG   PRO  81          3HG       PRO  81  10.593 -13.216 -24.547
  215   1HD   PRO  81          2HD       PRO  81   9.282 -10.769 -23.826
  216   2HD   PRO  81          3HD       PRO  81   8.533 -12.197 -24.513
  217    H    LEU  82           HN       LEU  82   9.792 -13.330 -18.974
  218    HA   LEU  82           HA       LEU  82  10.576 -10.561 -18.402
  219   1HB   LEU  82          2HB       LEU  82   9.203 -12.676 -16.758
  220   2HB   LEU  82          3HB       LEU  82   9.961 -11.278 -16.023
  221    HG   LEU  82           HG       LEU  82   8.304  -9.877 -16.629
  222   1HD1  LEU  82          1HD1      LEU  82   7.985 -11.428 -19.212
  223   2HD1  LEU  82          2HD1      LEU  82   7.071  -9.965 -18.774
  224   3HD1  LEU  82          3HD1      LEU  82   8.837  -9.882 -18.985
  225   1HD2  LEU  82          1HD2      LEU  82   6.137 -10.863 -16.543
  226   2HD2  LEU  82          2HD2      LEU  82   6.744 -12.412 -17.177
  227   3HD2  LEU  82          3HD2      LEU  82   7.217 -11.870 -15.549
  228    HA   PRO  83           HA       PRO  83  14.483 -11.950 -17.213
  229   1HB   PRO  83          2HB       PRO  83  15.200 -10.159 -15.278
  230   2HB   PRO  83          3HB       PRO  83  15.281  -9.802 -16.991
  231   1HG   PRO  83          2HG       PRO  83  13.308  -8.872 -14.996
  232   2HG   PRO  83          3HG       PRO  83  13.662  -8.211 -16.580
  233   1HD   PRO  83          2HD       PRO  83  11.405  -9.828 -15.860
  234   2HD   PRO  83          3HD       PRO  83  11.820  -9.265 -17.466
  235    HA   PRO  84           HA       PRO  84  14.509 -14.476 -13.803
  236   1HB   PRO  84          2HB       PRO  84  17.128 -14.609 -13.033
  237   2HB   PRO  84          3HB       PRO  84  16.480 -15.514 -14.387
  238   1HG   PRO  84          2HG       PRO  84  18.183 -13.098 -14.418
  239   2HG   PRO  84          3HG       PRO  84  17.881 -14.245 -15.708
  240   1HD   PRO  84          2HD       PRO  84  16.745 -11.625 -15.441
  241   2HD   PRO  84          3HD       PRO  84  16.356 -12.817 -16.666
  Start of MODEL    6
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.149  -3.737  -2.581
    9   1HB   PRO  55          2HB       PRO  55  -1.109  -3.643  -4.117
   10   2HB   PRO  55          3HB       PRO  55  -1.138  -3.915  -2.386
   11   1HG   PRO  55          2HG       PRO  55  -1.836  -1.467  -3.889
   12   2HG   PRO  55          3HG       PRO  55  -2.252  -1.900  -2.243
   13   1HD   PRO  55          2HD       PRO  55  -0.232  -0.040  -3.070
   14   2HD   PRO  55          3HD       PRO  55  -0.570  -0.560  -1.431
   15    H    GLY  56           HN       GLY  56   3.070  -3.850  -3.714
   16   1HA   GLY  56          1HA       GLY  56   3.028  -2.747  -6.413
   17   2HA   GLY  56          2HA       GLY  56   4.393  -3.439  -5.560
   18    H    LEU  57           HN       LEU  57   1.068  -4.562  -6.542
   19    HA   LEU  57           HA       LEU  57   1.931  -7.224  -6.895
   20   1HB   LEU  57          2HB       LEU  57  -0.390  -6.349  -6.365
   21   2HB   LEU  57          3HB       LEU  57  -0.529  -5.929  -8.061
   22    HG   LEU  57           HG       LEU  57  -0.651  -8.129  -8.756
   23   1HD1  LEU  57          1HD1      LEU  57   0.746  -8.913  -6.188
   24   2HD1  LEU  57          2HD1      LEU  57   0.062 -10.077  -7.348
   25   3HD1  LEU  57          3HD1      LEU  57   1.381  -8.992  -7.849
   26   1HD2  LEU  57          1HD2      LEU  57  -1.918  -7.945  -6.022
   27   2HD2  LEU  57          2HD2      LEU  57  -2.674  -7.741  -7.621
   28   3HD2  LEU  57          3HD2      LEU  57  -2.140  -9.353  -7.088
   29    H    CYS  58           HN       CYS  58   3.425  -7.804  -8.383
   30    HA   CYS  58           HA       CYS  58   4.185  -6.353 -10.546
   31   1HB   CYS  58          2HB       CYS  58   5.420  -8.292  -9.646
   32   2HB   CYS  58          3HB       CYS  58   4.206  -9.379 -10.291
   33    HA   PRO  59           HA       PRO  59   0.461  -6.893 -12.900
   34   1HB   PRO  59          2HB       PRO  59   0.846  -4.784 -14.595
   35   2HB   PRO  59          3HB       PRO  59   0.043  -4.633 -13.044
   36   1HG   PRO  59          2HG       PRO  59   2.773  -3.793 -13.808
   37   2HG   PRO  59          3HG       PRO  59   1.812  -3.286 -12.433
   38   1HD   PRO  59          2HD       PRO  59   3.998  -5.144 -12.407
   39   2HD   PRO  59          3HD       PRO  59   2.963  -4.724 -11.056
   40    H    ARG  60           HN       ARG  60   3.548  -7.605 -13.535
   41    HA   ARG  60           HA       ARG  60   3.108  -8.046 -16.339
   42   1HB   ARG  60          2HB       ARG  60   5.410  -7.756 -14.575
   43   2HB   ARG  60          3HB       ARG  60   5.565  -9.253 -15.473
   44   1HG   ARG  60          2HG       ARG  60   6.595  -7.427 -16.751
   45   2HG   ARG  60          3HG       ARG  60   5.187  -8.017 -17.612
   46   1HD   ARG  60          2HD       ARG  60   3.847  -6.130 -16.464
   47   2HD   ARG  60          3HD       ARG  60   5.383  -5.483 -15.924
   48    HE   ARG  60           HE       ARG  60   5.872  -4.808 -18.127
   49   1HH1  ARG  60          1HH1      ARG  60   3.975  -5.180 -21.032
   50   2HH1  ARG  60          2HH1      ARG  60   5.342  -4.398 -20.311
   51   1HH2  ARG  60          1HH2      ARG  60   2.682  -6.644 -19.779
   52   2HH2  ARG  60          2HH2      ARG  60   3.084  -6.955 -18.123
   53    H    CYS  61           HN       CYS  61   4.387 -10.070 -13.584
   54    HA   CYS  61           HA       CYS  61   3.515 -12.445 -14.938
   55   1HB   CYS  61          2HB       CYS  61   4.565 -13.636 -13.064
   56   2HB   CYS  61          3HB       CYS  61   5.657 -12.466 -13.779
   57    H    LYS  62           HN       LYS  62   2.608 -10.349 -12.171
   58    HA   LYS  62           HA       LYS  62   0.821 -10.268 -10.879
   59   1HB   LYS  62          2HB       LYS  62  -0.229 -11.320 -13.446
   60   2HB   LYS  62          3HB       LYS  62  -1.278 -11.528 -12.059
   61   1HG   LYS  62          2HG       LYS  62  -0.500  -8.942 -11.639
   62   2HG   LYS  62          3HG       LYS  62  -0.357  -9.001 -13.384
   63   1HD   LYS  62          2HD       LYS  62  -2.790 -10.238 -13.059
   64   2HD   LYS  62          3HD       LYS  62  -2.803  -9.166 -11.673
   65   1HE   LYS  62          2HE       LYS  62  -1.855  -7.857 -14.164
   66   2HE   LYS  62          3HE       LYS  62  -3.502  -8.444 -14.271
   67   1HZ   LYS  62          1HZ       LYS  62  -3.444  -7.300 -11.854
   68   2HZ   LYS  62          2HZ       LYS  62  -2.451  -6.315 -12.698
   69   3HZ   LYS  62          3HZ       LYS  62  -3.979  -6.571 -13.214
   70    H    LYS  63           HN       LYS  63   2.763 -12.313 -10.376
   71    HA   LYS  63           HA       LYS  63   0.993 -14.337  -9.194
   72   1HB   LYS  63          2HB       LYS  63   3.628 -14.701 -10.622
   73   2HB   LYS  63          3HB       LYS  63   3.050 -15.873  -9.455
   74   1HG   LYS  63          2HG       LYS  63   0.815 -15.842 -10.817
   75   2HG   LYS  63          3HG       LYS  63   1.739 -15.036 -12.068
   76   1HD   LYS  63          2HD       LYS  63   1.986 -17.285 -12.689
   77   2HD   LYS  63          3HD       LYS  63   3.449 -17.020 -11.762
   78   1HE   LYS  63          2HE       LYS  63   2.768 -18.385 -10.030
   79   2HE   LYS  63          3HE       LYS  63   1.097 -17.869 -10.136
   80   1HZ   LYS  63          1HZ       LYS  63   2.148 -19.442 -12.328
   81   2HZ   LYS  63          2HZ       LYS  63   1.848 -20.216 -10.922
   82   3HZ   LYS  63          3HZ       LYS  63   0.645 -19.423 -11.691
   83    H    GLY  64           HN       GLY  64   2.453 -11.615  -8.449
   84   1HA   GLY  64          1HA       GLY  64   2.730 -12.072  -5.748
   85   2HA   GLY  64          2HA       GLY  64   4.323 -12.347  -6.423
   86    H    TYR  65           HN       TYR  65   4.085 -10.265  -4.660
   87    HA   TYR  65           HA       TYR  65   3.705  -7.852  -6.262
   88   1HB   TYR  65          2HB       TYR  65   4.149  -8.555  -3.298
   89   2HB   TYR  65          3HB       TYR  65   4.085  -6.892  -3.849
   90    HD1  TYR  65           HD1      TYR  65   2.127  -9.951  -3.258
   91    HD2  TYR  65           HD2      TYR  65   1.976  -5.873  -4.545
   92    HE1  TYR  65           HE1      TYR  65  -0.405  -9.964  -3.027
   93    HE2  TYR  65           HE2      TYR  65  -0.556  -5.901  -4.310
   94    HH   TYR  65           HH       TYR  65  -2.180  -8.135  -2.588
   95    H    HIS  66           HN       HIS  66   5.438  -7.000  -7.290
   96    HA   HIS  66           HA       HIS  66   7.781  -6.377  -5.962
   97   1HB   HIS  66          2HB       HIS  66   9.386  -7.916  -7.004
   98   2HB   HIS  66          3HB       HIS  66   8.288  -8.734  -5.911
   99    HD1  HIS  66           HD1      HIS  66   7.579 -10.938  -6.819
  100    HD2  HIS  66           HD2      HIS  66   8.122  -8.099  -9.859
  101    HE1  HIS  66           HE1      HIS  66   7.050 -12.129  -9.013
  102    H    TRP  67           HN       TRP  67   9.369  -5.326  -7.446
  103    HA   TRP  67           HA       TRP  67   7.958  -4.003  -9.546
  104   1HB   TRP  67          2HB       TRP  67  10.726  -3.821  -8.389
  105   2HB   TRP  67          3HB       TRP  67  10.317  -2.987  -9.875
  106    HD1  TRP  67           HD1      TRP  67   9.337  -2.984  -6.123
  107    HE1  TRP  67           HE1      TRP  67   8.262  -0.675  -5.432
  108    HE3  TRP  67           HE3      TRP  67   9.168  -1.057 -10.825
  109    HZ2  TRP  67           HZ2      TRP  67   7.479   1.645  -6.896
  110    HZ3  TRP  67           HZ3      TRP  67   8.233   1.237 -11.107
  111    HH2  TRP  67           HH2      TRP  67   7.406   2.577  -9.238
  112    H    LYS  68           HN       LYS  68   8.485  -4.093 -11.824
  113    HA   LYS  68           HA       LYS  68   8.856  -6.619 -12.836
  114   1HB   LYS  68          2HB       LYS  68   9.347  -3.932 -14.153
  115   2HB   LYS  68          3HB       LYS  68   9.216  -5.456 -15.006
  116   1HG   LYS  68          2HG       LYS  68   6.927  -5.634 -14.644
  117   2HG   LYS  68          3HG       LYS  68   6.995  -4.823 -13.092
  118   1HD   LYS  68          2HD       LYS  68   7.747  -3.090 -15.389
  119   2HD   LYS  68          3HD       LYS  68   6.096  -3.673 -15.453
  120   1HE   LYS  68          2HE       LYS  68   5.863  -1.704 -14.185
  121   2HE   LYS  68          3HE       LYS  68   5.964  -2.926 -12.933
  122   1HZ   LYS  68          1HZ       LYS  68   7.501  -1.394 -12.276
  123   2HZ   LYS  68          2HZ       LYS  68   8.463  -2.437 -13.086
  124   3HZ   LYS  68          3HZ       LYS  68   8.005  -1.035 -13.788
  125    H    SER  69           HN       SER  69  11.267  -3.989 -12.281
  126    HA   SER  69           HA       SER  69  13.385  -5.290 -13.467
  127   1HB   SER  69          2HB       SER  69  13.446  -2.912 -12.858
  128   2HB   SER  69          3HB       SER  69  13.324  -3.304 -11.154
  129    HG   SER  69           HG       SER  69  15.410  -4.094 -11.130
  130    H    GLU  70           HN       GLU  70  11.794  -5.715 -10.330
  131    HA   GLU  70           HA       GLU  70  13.982  -7.360  -9.402
  132   1HB   GLU  70          2HB       GLU  70  11.450  -6.311  -8.084
  133   2HB   GLU  70          3HB       GLU  70  12.474  -7.500  -7.304
  134   1HG   GLU  70          2HG       GLU  70  14.055  -5.261  -8.373
  135   2HG   GLU  70          3HG       GLU  70  12.817  -4.697  -7.267
  136    H    CYS  71           HN       CYS  71  11.116  -7.636 -11.228
  137    HA   CYS  71           HA       CYS  71   9.913  -9.905 -10.309
  138   1HB   CYS  71          2HB       CYS  71   8.974  -8.579 -12.112
  139   2HB   CYS  71          3HB       CYS  71  10.312  -8.980 -13.171
  140    H    LYS  72           HN       LYS  72  10.668 -11.973  -9.997
  141    HA   LYS  72           HA       LYS  72  13.008 -12.770 -11.587
  142   1HB   LYS  72          2HB       LYS  72  12.721 -12.570  -8.766
  143   2HB   LYS  72          3HB       LYS  72  12.769 -14.279  -9.149
  144   1HG   LYS  72          2HG       LYS  72  14.773 -13.423 -10.785
  145   2HG   LYS  72          3HG       LYS  72  14.875 -12.179  -9.555
  146   1HD   LYS  72          2HD       LYS  72  15.740 -13.616  -8.003
  147   2HD   LYS  72          3HD       LYS  72  14.579 -14.871  -8.385
  148   1HE   LYS  72          2HE       LYS  72  16.295 -15.995  -9.368
  149   2HE   LYS  72          3HE       LYS  72  16.198 -14.824 -10.668
  150   1HZ   LYS  72          1HZ       LYS  72  18.392 -14.863  -9.826
  151   2HZ   LYS  72          2HZ       LYS  72  17.738 -13.436  -9.374
  152   3HZ   LYS  72          3HZ       LYS  72  17.903 -14.641  -8.284
  153    H    SER  73           HN       SER  73   9.832 -13.000 -11.714
  154    HA   SER  73           HA       SER  73   9.277 -15.699 -11.419
  155   1HB   SER  73          2HB       SER  73   7.999 -13.332 -12.690
  156   2HB   SER  73          3HB       SER  73   7.517 -14.870 -13.377
  157    HG   SER  73           HG       SER  73   6.827 -15.587 -11.310
  158    H    LYS  74           HN       LYS  74   8.506 -17.089 -13.441
  159    HA   LYS  74           HA       LYS  74  10.715 -16.988 -15.362
  160   1HB   LYS  74          2HB       LYS  74   9.438 -19.115 -13.862
  161   2HB   LYS  74          3HB       LYS  74   9.355 -19.444 -15.580
  162   1HG   LYS  74          2HG       LYS  74  11.783 -19.151 -15.817
  163   2HG   LYS  74          3HG       LYS  74  11.924 -18.610 -14.156
  164   1HD   LYS  74          2HD       LYS  74  12.201 -20.758 -13.495
  165   2HD   LYS  74          3HD       LYS  74  10.575 -21.122 -14.038
  166   1HE   LYS  74          2HE       LYS  74  11.302 -22.141 -15.969
  167   2HE   LYS  74          3HE       LYS  74  12.562 -20.955 -16.245
  168   1HZ   LYS  74          1HZ       LYS  74  13.676 -22.070 -14.266
  169   2HZ   LYS  74          2HZ       LYS  74  12.649 -23.312 -14.528
  170   3HZ   LYS  74          3HZ       LYS  74  13.695 -22.857 -15.697
  171    H    PHE  75           HN       PHE  75   7.141 -17.307 -15.016
  172    HA   PHE  75           HA       PHE  75   6.965 -16.497 -17.832
  173   1HB   PHE  75          2HB       PHE  75   5.511 -18.578 -16.133
  174   2HB   PHE  75          3HB       PHE  75   4.666 -17.859 -17.490
  175    HD1  PHE  75           HD1      PHE  75   7.377 -20.092 -16.490
  176    HD2  PHE  75           HD2      PHE  75   5.358 -18.328 -19.779
  177    HE1  PHE  75           HE1      PHE  75   8.451 -21.750 -18.038
  178    HE2  PHE  75           HE2      PHE  75   6.431 -19.986 -21.327
  179    HZ   PHE  75           HZ       PHE  75   7.965 -21.677 -20.438
  180    H    ASP  76           HN       ASP  76   5.251 -15.045 -18.374
  181    HA   ASP  76           HA       ASP  76   3.820 -14.008 -16.063
  182   1HB   ASP  76          2HB       ASP  76   4.293 -11.755 -16.641
  183   2HB   ASP  76          3HB       ASP  76   5.832 -12.571 -16.831
  184    H    LYS  77           HN       LYS  77   2.168 -12.154 -17.250
  185    HA   LYS  77           HA       LYS  77   0.158 -13.464 -18.392
  186   1HB   LYS  77          2HB       LYS  77   0.772 -10.819 -17.908
  187   2HB   LYS  77          3HB       LYS  77   0.568 -10.836 -19.648
  188   1HG   LYS  77          2HG       LYS  77  -1.639 -10.497 -18.927
  189   2HG   LYS  77          3HG       LYS  77  -1.611 -12.236 -19.147
  190   1HD   LYS  77          2HD       LYS  77  -1.060 -12.490 -16.685
  191   2HD   LYS  77          3HD       LYS  77  -1.228 -10.756 -16.502
  192   1HE   LYS  77          2HE       LYS  77  -3.474 -12.413 -17.710
  193   2HE   LYS  77          3HE       LYS  77  -3.299 -12.274 -15.972
  194   1HZ   LYS  77          1HZ       LYS  77  -4.736 -10.579 -16.811
  195   2HZ   LYS  77          2HZ       LYS  77  -3.381  -9.873 -16.234
  196   3HZ   LYS  77          3HZ       LYS  77  -3.597 -10.030 -17.845
  197    H    ASP  78           HN       ASP  78  -0.636 -13.910 -20.535
  198    HA   ASP  78           HA       ASP  78  -0.477 -14.630 -22.573
  199   1HB   ASP  78          2HB       ASP  78   0.155 -12.485 -23.383
  200   2HB   ASP  78          3HB       ASP  78   1.727 -12.552 -22.612
  201    H    GLY  79           HN       GLY  79   1.436 -15.534 -20.187
  202   1HA   GLY  79          1HA       GLY  79   2.954 -17.149 -19.821
  203   2HA   GLY  79          2HA       GLY  79   2.508 -17.807 -21.383
  204    H    ASN  80           HN       ASN  80   4.003 -14.598 -20.616
  205    HA   ASN  80           HA       ASN  80   5.970 -15.126 -22.618
  206   1HB   ASN  80          2HB       ASN  80   5.167 -12.761 -20.904
  207   2HB   ASN  80          3HB       ASN  80   6.762 -12.744 -21.631
  208   1HD2  ASN  80          1HD2      ASN  80   3.517 -12.075 -22.046
  209   2HD2  ASN  80          2HD2      ASN  80   3.460 -11.846 -23.762
  210    HA   PRO  81           HA       PRO  81   8.984 -16.348 -19.664
  211   1HB   PRO  81          2HB       PRO  81  11.254 -16.136 -21.171
  212   2HB   PRO  81          3HB       PRO  81  10.177 -17.516 -21.250
  213   1HG   PRO  81          2HG       PRO  81  10.500 -15.305 -23.185
  214   2HG   PRO  81          3HG       PRO  81   9.767 -16.878 -23.428
  215   1HD   PRO  81          2HD       PRO  81   8.397 -14.383 -23.071
  216   2HD   PRO  81          3HD       PRO  81   7.667 -15.971 -23.198
  217    H    LEU  82           HN       LEU  82   9.027 -15.018 -17.931
  218    HA   LEU  82           HA       LEU  82   9.492 -12.392 -17.908
  219   1HB   LEU  82          2HB       LEU  82   9.998 -14.607 -16.020
  220   2HB   LEU  82          3HB       LEU  82  10.847 -13.113 -15.674
  221    HG   LEU  82           HG       LEU  82   8.890 -12.938 -14.433
  222   1HD1  LEU  82          1HD1      LEU  82   7.962 -11.550 -16.943
  223   2HD1  LEU  82          2HD1      LEU  82   7.793 -11.042 -15.245
  224   3HD1  LEU  82          3HD1      LEU  82   9.387 -10.990 -16.035
  225   1HD2  LEU  82          1HD2      LEU  82   7.311 -13.945 -16.817
  226   2HD2  LEU  82          2HD2      LEU  82   7.736 -14.881 -15.364
  227   3HD2  LEU  82          3HD2      LEU  82   6.644 -13.482 -15.233
  228    HA   PRO  83           HA       PRO  83  13.524 -12.340 -19.725
  229   1HB   PRO  83          2HB       PRO  83  13.342  -9.830 -20.790
  230   2HB   PRO  83          3HB       PRO  83  12.844 -11.273 -21.649
  231   1HG   PRO  83          2HG       PRO  83  11.164  -9.209 -20.362
  232   2HG   PRO  83          3HG       PRO  83  10.710 -10.401 -21.564
  233   1HD   PRO  83          2HD       PRO  83  10.138 -10.493 -18.755
  234   2HD   PRO  83          3HD       PRO  83   9.787 -11.738 -19.938
  235    HA   PRO  84           HA       PRO  84  15.801 -10.099 -16.928
  236   1HB   PRO  84          2HB       PRO  84  17.941  -9.121 -18.318
  237   2HB   PRO  84          3HB       PRO  84  17.834 -10.781 -17.768
  238   1HG   PRO  84          2HG       PRO  84  17.491  -9.707 -20.501
  239   2HG   PRO  84          3HG       PRO  84  17.808 -11.357 -20.001
  240   1HD   PRO  84          2HD       PRO  84  15.295 -10.279 -20.868
  241   2HD   PRO  84          3HD       PRO  84  15.588 -11.896 -20.259
  Start of MODEL    7
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.508  -3.216  -3.687
    9   1HB   PRO  55          2HB       PRO  55   2.634  -2.770  -6.136
   10   2HB   PRO  55          3HB       PRO  55   0.975  -2.355  -5.755
   11   1HG   PRO  55          2HG       PRO  55   3.315  -0.569  -6.033
   12   2HG   PRO  55          3HG       PRO  55   1.611  -0.161  -6.077
   13   1HD   PRO  55          2HD       PRO  55   3.421   0.263  -3.893
   14   2HD   PRO  55          3HD       PRO  55   1.695   0.564  -3.897
   15    H    GLY  56           HN       GLY  56   2.687  -5.105  -4.568
   16   1HA   GLY  56          1HA       GLY  56   5.470  -5.139  -4.683
   17   2HA   GLY  56          2HA       GLY  56   5.023  -5.494  -3.026
   18    H    LEU  57           HN       LEU  57   6.181  -7.605  -3.816
   19    HA   LEU  57           HA       LEU  57   4.839  -9.300  -5.599
   20   1HB   LEU  57          2HB       LEU  57   7.242  -9.378  -4.798
   21   2HB   LEU  57          3HB       LEU  57   6.644 -10.122  -3.328
   22    HG   LEU  57           HG       LEU  57   6.093 -12.108  -4.373
   23   1HD1  LEU  57          1HD1      LEU  57   4.609 -11.325  -6.067
   24   2HD1  LEU  57          2HD1      LEU  57   5.942 -10.576  -6.979
   25   3HD1  LEU  57          3HD1      LEU  57   5.832 -12.348  -6.856
   26   1HD2  LEU  57          1HD2      LEU  57   8.148 -12.764  -4.900
   27   2HD2  LEU  57          2HD2      LEU  57   8.138 -11.811  -6.403
   28   3HD2  LEU  57          3HD2      LEU  57   8.634 -11.052  -4.871
   29    H    CYS  58           HN       CYS  58   2.754  -9.920  -5.357
   30    HA   CYS  58           HA       CYS  58   1.236  -9.810  -3.162
   31   1HB   CYS  58          2HB       CYS  58   0.379 -10.364  -5.393
   32   2HB   CYS  58          3HB       CYS  58   1.109 -11.954  -5.308
   33    HA   PRO  59           HA       PRO  59   3.445 -12.814  -0.729
   34   1HB   PRO  59          2HB       PRO  59   2.655 -11.882   1.716
   35   2HB   PRO  59          3HB       PRO  59   4.082 -11.298   0.883
   36   1HG   PRO  59          2HG       PRO  59   1.459  -9.977   1.215
   37   2HG   PRO  59          3HG       PRO  59   2.998  -9.265   0.774
   38   1HD   PRO  59          2HD       PRO  59   0.810  -9.847  -0.987
   39   2HD   PRO  59          3HD       PRO  59   2.391  -9.244  -1.443
   40    H    ARG  60           HN       ARG  60   0.337 -12.495  -1.548
   41    HA   ARG  60           HA       ARG  60  -0.647 -14.353   0.391
   42   1HB   ARG  60          2HB       ARG  60  -1.774 -12.469  -1.526
   43   2HB   ARG  60          3HB       ARG  60  -2.511 -14.040  -1.768
   44   1HG   ARG  60          2HG       ARG  60  -2.260 -13.375   1.094
   45   2HG   ARG  60          3HG       ARG  60  -3.188 -12.170   0.224
   46   1HD   ARG  60          2HD       ARG  60  -4.967 -13.576  -0.018
   47   2HD   ARG  60          3HD       ARG  60  -3.955 -14.875  -0.618
   48    HE   ARG  60           HE       ARG  60  -3.634 -14.483   2.253
   49   1HH1  ARG  60          1HH1      ARG  60  -5.577 -17.260   3.085
   50   2HH1  ARG  60          2HH1      ARG  60  -4.442 -16.087   3.665
   51   1HH2  ARG  60          1HH2      ARG  60  -6.275 -17.202   0.872
   52   2HH2  ARG  60          2HH2      ARG  60  -5.662 -15.986  -0.198
   53    H    CYS  61           HN       CYS  61  -0.628 -14.239  -3.257
   54    HA   CYS  61           HA       CYS  61  -0.748 -17.120  -3.305
   55   1HB   CYS  61          2HB       CYS  61  -1.115 -16.897  -5.681
   56   2HB   CYS  61          3HB       CYS  61  -2.161 -15.774  -4.835
   57    H    LYS  62           HN       LYS  62   1.467 -14.378  -3.985
   58    HA   LYS  62           HA       LYS  62   3.649 -14.280  -4.301
   59   1HB   LYS  62          2HB       LYS  62   3.312 -16.370  -2.478
   60   2HB   LYS  62          3HB       LYS  62   4.408 -17.026  -3.678
   61   1HG   LYS  62          2HG       LYS  62   6.066 -15.888  -2.620
   62   2HG   LYS  62          3HG       LYS  62   5.384 -14.428  -3.310
   63   1HD   LYS  62          2HD       LYS  62   5.171 -13.762  -1.130
   64   2HD   LYS  62          3HD       LYS  62   3.724 -14.750  -1.147
   65   1HE   LYS  62          2HE       LYS  62   4.702 -15.823   0.626
   66   2HE   LYS  62          3HE       LYS  62   5.611 -16.675  -0.607
   67   1HZ   LYS  62          1HZ       LYS  62   6.759 -14.162   0.010
   68   2HZ   LYS  62          2HZ       LYS  62   6.650 -15.112   1.334
   69   3HZ   LYS  62          3HZ       LYS  62   7.447 -15.643   0.011
   70    H    LYS  63           HN       LYS  63   2.102 -14.600  -6.546
   71    HA   LYS  63           HA       LYS  63   3.925 -16.145  -8.219
   72   1HB   LYS  63          2HB       LYS  63   0.996 -16.625  -7.884
   73   2HB   LYS  63          3HB       LYS  63   1.653 -16.728  -9.505
   74   1HG   LYS  63          2HG       LYS  63   3.118 -18.509  -8.946
   75   2HG   LYS  63          3HG       LYS  63   3.078 -18.140  -7.234
   76   1HD   LYS  63          2HD       LYS  63   0.375 -18.675  -7.952
   77   2HD   LYS  63          3HD       LYS  63   1.324 -19.895  -8.777
   78   1HE   LYS  63          2HE       LYS  63   2.476 -19.746  -6.198
   79   2HE   LYS  63          3HE       LYS  63   0.753 -19.615  -5.909
   80   1HZ   LYS  63          1HZ       LYS  63   2.232 -21.801  -7.111
   81   2HZ   LYS  63          2HZ       LYS  63   1.026 -21.846  -6.011
   82   3HZ   LYS  63          3HZ       LYS  63   0.686 -21.570  -7.584
   83    H    GLY  64           HN       GLY  64   3.095 -13.219  -7.386
   84   1HA   GLY  64          1HA       GLY  64   3.779 -11.947  -9.730
   85   2HA   GLY  64          2HA       GLY  64   2.030 -12.058  -9.764
   86    H    TYR  65           HN       TYR  65   3.554  -9.591  -9.569
   87    HA   TYR  65           HA       TYR  65   3.355  -8.773  -6.799
   88   1HB   TYR  65          2HB       TYR  65   4.116  -7.531  -9.508
   89   2HB   TYR  65          3HB       TYR  65   4.083  -6.563  -8.047
   90    HD1  TYR  65           HD1      TYR  65   5.686  -9.567  -9.574
   91    HD2  TYR  65           HD2      TYR  65   5.939  -6.515  -6.587
   92    HE1  TYR  65           HE1      TYR  65   8.070 -10.273  -9.045
   93    HE2  TYR  65           HE2      TYR  65   8.323  -7.232  -6.067
   94    HH   TYR  65           HH       TYR  65   9.757 -10.035  -7.696
   95    H    HIS  66           HN       HIS  66   1.565  -7.891  -5.898
   96    HA   HIS  66           HA       HIS  66   0.030  -5.952  -7.074
   97   1HB   HIS  66          2HB       HIS  66  -2.089  -7.246  -7.521
   98   2HB   HIS  66          3HB       HIS  66  -0.813  -7.418  -8.710
   99    HD1  HIS  66           HD1      HIS  66  -0.150  -9.767  -9.309
  100    HD2  HIS  66           HD2      HIS  66  -2.197  -9.569  -5.653
  101    HE1  HIS  66           HE1      HIS  66  -0.526 -12.180  -8.569
  102    H    TRP  67           HN       TRP  67  -2.184  -5.728  -5.801
  103    HA   TRP  67           HA       TRP  67  -1.475  -6.020  -3.039
  104   1HB   TRP  67          2HB       TRP  67  -3.751  -4.747  -4.535
  105   2HB   TRP  67          3HB       TRP  67  -3.818  -4.952  -2.796
  106    HD1  TRP  67           HD1      TRP  67  -1.685  -3.096  -5.459
  107    HE1  TRP  67           HE1      TRP  67  -0.471  -1.006  -4.399
  108    HE3  TRP  67           HE3      TRP  67  -3.089  -4.051  -0.666
  109    HZ2  TRP  67           HZ2      TRP  67  -0.240  -0.010  -1.734
  110    HZ3  TRP  67           HZ3      TRP  67  -2.327  -2.471   1.104
  111    HH2  TRP  67           HH2      TRP  67  -0.950  -0.507   0.634
  112    H    LYS  68           HN       LYS  68  -2.720  -7.236  -1.461
  113    HA   LYS  68           HA       LYS  68  -3.361  -9.797  -2.232
  114   1HB   LYS  68          2HB       LYS  68  -4.318 -10.028   0.012
  115   2HB   LYS  68          3HB       LYS  68  -2.780  -9.188   0.047
  116   1HG   LYS  68          2HG       LYS  68  -4.027  -6.987   0.086
  117   2HG   LYS  68          3HG       LYS  68  -5.537  -7.874   0.159
  118   1HD   LYS  68          2HD       LYS  68  -4.406  -9.080   2.243
  119   2HD   LYS  68          3HD       LYS  68  -3.357  -7.676   2.253
  120   1HE   LYS  68          2HE       LYS  68  -4.974  -6.588   3.420
  121   2HE   LYS  68          3HE       LYS  68  -5.927  -6.569   1.950
  122   1HZ   LYS  68          1HZ       LYS  68  -7.097  -7.589   3.781
  123   2HZ   LYS  68          2HZ       LYS  68  -6.867  -8.673   2.582
  124   3HZ   LYS  68          3HZ       LYS  68  -5.949  -8.740   3.930
  125    H    SER  69           HN       SER  69  -5.561  -6.980  -1.627
  126    HA   SER  69           HA       SER  69  -7.855  -8.445  -2.268
  127   1HB   SER  69          2HB       SER  69  -7.753  -6.302  -0.917
  128   2HB   SER  69          3HB       SER  69  -7.446  -5.425  -2.403
  129    HG   SER  69           HG       SER  69  -9.592  -6.902  -2.942
  130    H    GLU  70           HN       GLU  70  -5.305  -7.046  -4.166
  131    HA   GLU  70           HA       GLU  70  -7.000  -6.798  -6.490
  132   1HB   GLU  70          2HB       GLU  70  -4.084  -6.122  -5.947
  133   2HB   GLU  70          3HB       GLU  70  -4.773  -6.036  -7.556
  134   1HG   GLU  70          2HG       GLU  70  -6.134  -4.627  -5.236
  135   2HG   GLU  70          3HG       GLU  70  -4.770  -3.879  -6.042
  136    H    CYS  71           HN       CYS  71  -5.389  -9.248  -4.858
  137    HA   CYS  71           HA       CYS  71  -3.957 -10.580  -6.779
  138   1HB   CYS  71          2HB       CYS  71  -3.951 -11.224  -4.423
  139   2HB   CYS  71          3HB       CYS  71  -5.627 -11.725  -4.518
  140    H    LYS  72           HN       LYS  72  -4.601 -11.284  -8.784
  141    HA   LYS  72           HA       LYS  72  -7.447 -11.913  -9.115
  142   1HB   LYS  72          2HB       LYS  72  -5.407 -10.598 -10.835
  143   2HB   LYS  72          3HB       LYS  72  -6.534 -11.666 -11.646
  144   1HG   LYS  72          2HG       LYS  72  -8.450 -10.427 -10.820
  145   2HG   LYS  72          3HG       LYS  72  -7.463  -9.520  -9.691
  146   1HD   LYS  72          2HD       LYS  72  -6.293  -9.095 -12.260
  147   2HD   LYS  72          3HD       LYS  72  -8.024  -8.955 -12.496
  148   1HE   LYS  72          2HE       LYS  72  -6.478  -7.480 -10.310
  149   2HE   LYS  72          3HE       LYS  72  -6.887  -6.777 -11.862
  150   1HZ   LYS  72          1HZ       LYS  72  -9.193  -7.093 -11.363
  151   2HZ   LYS  72          2HZ       LYS  72  -8.851  -7.840  -9.952
  152   3HZ   LYS  72          3HZ       LYS  72  -8.497  -6.257 -10.145
  153    H    SER  73           HN       SER  73  -4.832 -13.494  -8.171
  154    HA   SER  73           HA       SER  73  -4.591 -15.477 -10.160
  155   1HB   SER  73          2HB       SER  73  -3.356 -14.801  -7.623
  156   2HB   SER  73          3HB       SER  73  -3.753 -16.508  -7.625
  157    HG   SER  73           HG       SER  73  -1.636 -16.109  -8.524
  158    H    LYS  74           HN       LYS  74  -5.279 -17.756  -9.969
  159    HA   LYS  74           HA       LYS  74  -7.940 -17.945  -8.970
  160   1HB   LYS  74          2HB       LYS  74  -7.917 -20.155  -9.959
  161   2HB   LYS  74          3HB       LYS  74  -7.228 -18.995 -11.076
  162   1HG   LYS  74          2HG       LYS  74  -4.916 -19.689 -10.024
  163   2HG   LYS  74          3HG       LYS  74  -5.784 -21.081  -9.407
  164   1HD   LYS  74          2HD       LYS  74  -6.326 -21.868 -11.609
  165   2HD   LYS  74          3HD       LYS  74  -5.945 -20.325 -12.348
  166   1HE   LYS  74          2HE       LYS  74  -3.548 -21.039 -11.059
  167   2HE   LYS  74          3HE       LYS  74  -4.151 -22.566 -11.671
  168   1HZ   LYS  74          1HZ       LYS  74  -4.473 -20.564 -13.605
  169   2HZ   LYS  74          2HZ       LYS  74  -2.919 -20.588 -13.103
  170   3HZ   LYS  74          3HZ       LYS  74  -3.606 -21.945 -13.696
  171    H    PHE  75           HN       PHE  75  -4.710 -19.264  -8.042
  172    HA   PHE  75           HA       PHE  75  -5.930 -19.974  -5.469
  173   1HB   PHE  75          2HB       PHE  75  -3.806 -21.338  -7.220
  174   2HB   PHE  75          3HB       PHE  75  -4.029 -21.778  -5.539
  175    HD1  PHE  75           HD1      PHE  75  -6.722 -22.130  -5.011
  176    HD2  PHE  75           HD2      PHE  75  -4.752 -22.806  -8.708
  177    HE1  PHE  75           HE1      PHE  75  -8.522 -23.749  -5.674
  178    HE2  PHE  75           HE2      PHE  75  -6.551 -24.425  -9.371
  179    HZ   PHE  75           HZ       PHE  75  -8.415 -24.878  -7.846
  180    H    ASP  76           HN       ASP  76  -4.184 -20.173  -3.685
  181    HA   ASP  76           HA       ASP  76  -2.016 -18.318  -4.211
  182   1HB   ASP  76          2HB       ASP  76  -2.478 -16.990  -2.297
  183   2HB   ASP  76          3HB       ASP  76  -4.045 -17.212  -3.049
  184    H    LYS  77           HN       LYS  77  -0.751 -18.299  -1.758
  185    HA   LYS  77           HA       LYS  77   0.640 -20.554  -1.549
  186   1HB   LYS  77          2HB       LYS  77   1.279 -19.876   0.655
  187   2HB   LYS  77          3HB       LYS  77   1.035 -18.433  -0.308
  188   1HG   LYS  77          2HG       LYS  77  -1.170 -18.054   0.686
  189   2HG   LYS  77          3HG       LYS  77  -1.124 -19.604   1.504
  190   1HD   LYS  77          2HD       LYS  77   1.124 -18.638   2.571
  191   2HD   LYS  77          3HD       LYS  77   0.439 -17.088   2.122
  192   1HE   LYS  77          2HE       LYS  77  -1.230 -19.116   3.651
  193   2HE   LYS  77          3HE       LYS  77  -0.102 -18.079   4.501
  194   1HZ   LYS  77          1HZ       LYS  77  -1.231 -16.188   3.738
  195   2HZ   LYS  77          2HZ       LYS  77  -2.125 -17.024   2.658
  196   3HZ   LYS  77          3HZ       LYS  77  -2.396 -17.208   4.258
  197    H    ASP  78           HN       ASP  78   0.613 -22.498  -0.255
  198    HA   ASP  78           HA       ASP  78  -0.294 -24.285   0.570
  199   1HB   ASP  78          2HB       ASP  78  -1.039 -23.117   2.508
  200   2HB   ASP  78          3HB       ASP  78  -2.254 -22.222   1.616
  201    H    GLY  79           HN       GLY  79  -1.308 -22.794  -2.066
  202   1HA   GLY  79          1HA       GLY  79  -2.694 -23.244  -3.775
  203   2HA   GLY  79          2HA       GLY  79  -2.859 -24.857  -3.108
  204    H    ASN  80           HN       ASN  80  -3.803 -21.683  -1.638
  205    HA   ASN  80           HA       ASN  80  -6.363 -22.796  -1.054
  206   1HB   ASN  80          2HB       ASN  80  -4.881 -20.239  -0.401
  207   2HB   ASN  80          3HB       ASN  80  -6.625 -20.234  -0.232
  208   1HD2  ASN  80          1HD2      ASN  80  -3.690 -20.987   1.191
  209   2HD2  ASN  80          2HD2      ASN  80  -4.229 -21.929   2.540
  210    HA   PRO  81           HA       PRO  81  -8.302 -20.902  -4.507
  211   1HB   PRO  81          2HB       PRO  81 -10.917 -20.948  -3.714
  212   2HB   PRO  81          3HB       PRO  81 -10.096 -22.341  -4.391
  213   1HG   PRO  81          2HG       PRO  81 -10.827 -21.805  -1.576
  214   2HG   PRO  81          3HG       PRO  81 -10.405 -23.330  -2.330
  215   1HD   PRO  81          2HD       PRO  81  -8.728 -21.729  -0.641
  216   2HD   PRO  81          3HD       PRO  81  -8.270 -23.193  -1.488
  217    H    LEU  82           HN       LEU  82  -7.597 -18.866  -4.859
  218    HA   LEU  82           HA       LEU  82  -7.728 -16.793  -3.182
  219   1HB   LEU  82          2HB       LEU  82  -7.519 -17.179  -6.031
  220   2HB   LEU  82          3HB       LEU  82  -8.421 -15.716  -5.688
  221    HG   LEU  82           HG       LEU  82  -6.257 -14.935  -5.831
  222   1HD1  LEU  82          1HD1      LEU  82  -6.151 -15.545  -2.893
  223   2HD1  LEU  82          2HD1      LEU  82  -5.742 -14.046  -3.762
  224   3HD1  LEU  82          3HD1      LEU  82  -7.446 -14.515  -3.549
  225   1HD2  LEU  82          1HD2      LEU  82  -5.009 -16.910  -6.125
  226   2HD2  LEU  82          2HD2      LEU  82  -4.304 -16.112  -4.698
  227   3HD2  LEU  82          3HD2      LEU  82  -5.398 -17.501  -4.491
  228    HA   PRO  83           HA       PRO  83 -12.107 -16.584  -2.611
  229   1HB   PRO  83          2HB       PRO  83 -12.033 -15.448  -0.126
  230   2HB   PRO  83          3HB       PRO  83 -12.029 -17.180  -0.388
  231   1HG   PRO  83          2HG       PRO  83  -9.788 -15.418   0.396
  232   2HG   PRO  83          3HG       PRO  83  -9.918 -17.160   0.541
  233   1HD   PRO  83          2HD       PRO  83  -8.414 -15.708  -1.424
  234   2HD   PRO  83          3HD       PRO  83  -8.638 -17.444  -1.348
  235    HA   PRO  84           HA       PRO  84 -12.213 -12.533  -4.078
  236   1HB   PRO  84          2HB       PRO  84 -14.608 -12.692  -5.384
  237   2HB   PRO  84          3HB       PRO  84 -13.082 -13.128  -6.126
  238   1HG   PRO  84          2HG       PRO  84 -15.228 -14.898  -5.124
  239   2HG   PRO  84          3HG       PRO  84 -13.920 -15.275  -6.228
  240   1HD   PRO  84          2HD       PRO  84 -14.083 -15.986  -3.455
  241   2HD   PRO  84          3HD       PRO  84 -12.727 -16.261  -4.529
  Start of MODEL    8
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.773  -3.172  -3.794
    9   1HB   PRO  55          2HB       PRO  55   3.564  -2.933  -5.844
   10   2HB   PRO  55          3HB       PRO  55   1.932  -2.300  -5.919
   11   1HG   PRO  55          2HG       PRO  55   4.471  -0.836  -5.537
   12   2HG   PRO  55          3HG       PRO  55   2.910  -0.214  -6.034
   13   1HD   PRO  55          2HD       PRO  55   4.107   0.028  -3.439
   14   2HD   PRO  55          3HD       PRO  55   2.499   0.547  -3.904
   15    H    GLY  56           HN       GLY  56   5.051  -2.038  -3.221
   16   1HA   GLY  56          1HA       GLY  56   6.540  -3.185  -1.841
   17   2HA   GLY  56          2HA       GLY  56   5.644  -4.672  -2.078
   18    H    LEU  57           HN       LEU  57   7.922  -2.355  -3.595
   19    HA   LEU  57           HA       LEU  57   8.283  -3.872  -5.955
   20   1HB   LEU  57          2HB       LEU  57   8.714  -1.410  -5.588
   21   2HB   LEU  57          3HB       LEU  57  10.174  -1.865  -4.733
   22    HG   LEU  57           HG       LEU  57  11.260  -2.574  -6.646
   23   1HD1  LEU  57          1HD1      LEU  57   9.849  -4.209  -7.539
   24   2HD1  LEU  57          2HD1      LEU  57   8.521  -3.055  -7.809
   25   3HD1  LEU  57          3HD1      LEU  57   9.976  -2.992  -8.832
   26   1HD2  LEU  57          1HD2      LEU  57  10.322  -0.862  -8.522
   27   2HD2  LEU  57          2HD2      LEU  57   9.583  -0.173  -7.057
   28   3HD2  LEU  57          3HD2      LEU  57  11.348  -0.381  -7.149
   29    H    CYS  58           HN       CYS  58   9.008  -5.936  -5.922
   30    HA   CYS  58           HA       CYS  58  10.280  -7.177  -3.890
   31   1HB   CYS  58          2HB       CYS  58   9.336  -8.317  -5.865
   32   2HB   CYS  58          3HB       CYS  58  10.659  -7.729  -6.852
   33    HA   PRO  59           HA       PRO  59  14.103  -4.929  -4.150
   34   1HB   PRO  59          2HB       PRO  59  14.964  -5.473  -1.614
   35   2HB   PRO  59          3HB       PRO  59  13.945  -4.102  -2.007
   36   1HG   PRO  59          2HG       PRO  59  13.209  -6.638  -0.677
   37   2HG   PRO  59          3HG       PRO  59  12.339  -5.117  -0.699
   38   1HD   PRO  59          2HD       PRO  59  11.724  -7.467  -2.223
   39   2HD   PRO  59          3HD       PRO  59  10.926  -5.911  -2.329
   40    H    ARG  60           HN       ARG  60  13.418  -8.084  -4.293
   41    HA   ARG  60           HA       ARG  60  16.139  -8.931  -3.949
   42   1HB   ARG  60          2HB       ARG  60  13.721 -10.544  -4.905
   43   2HB   ARG  60          3HB       ARG  60  15.248 -11.202  -4.352
   44   1HG   ARG  60          2HG       ARG  60  13.311  -9.561  -2.651
   45   2HG   ARG  60          3HG       ARG  60  13.503 -11.301  -2.573
   46   1HD   ARG  60          2HD       ARG  60  16.069 -10.712  -2.148
   47   2HD   ARG  60          3HD       ARG  60  15.437  -9.143  -1.688
   48    HE   ARG  60           HE       ARG  60  14.510 -10.095   0.248
   49   1HH1  ARG  60          1HH1      ARG  60  14.420 -13.423   1.294
   50   2HH1  ARG  60          2HH1      ARG  60  14.146 -11.775   1.753
   51   1HH2  ARG  60          1HH2      ARG  60  15.157 -13.924  -0.849
   52   2HH2  ARG  60          2HH2      ARG  60  15.432 -12.650  -1.990
   53    H    CYS  61           HN       CYS  61  13.619  -9.411  -6.545
   54    HA   CYS  61           HA       CYS  61  15.696  -9.715  -8.497
   55   1HB   CYS  61          2HB       CYS  61  13.860 -10.144 -10.067
   56   2HB   CYS  61          3HB       CYS  61  13.716 -11.133  -8.628
   57    H    LYS  62           HN       LYS  62  13.293  -7.298  -7.388
   58    HA   LYS  62           HA       LYS  62  12.976  -5.169  -7.874
   59   1HB   LYS  62          2HB       LYS  62  15.620  -5.394  -7.450
   60   2HB   LYS  62          3HB       LYS  62  15.669  -4.819  -9.104
   61   1HG   LYS  62          2HG       LYS  62  14.718  -2.755  -8.574
   62   2HG   LYS  62          3HG       LYS  62  13.792  -3.399  -7.233
   63   1HD   LYS  62          2HD       LYS  62  16.669  -3.673  -6.736
   64   2HD   LYS  62          3HD       LYS  62  16.255  -2.007  -7.085
   65   1HE   LYS  62          2HE       LYS  62  14.293  -3.263  -5.278
   66   2HE   LYS  62          3HE       LYS  62  15.916  -3.329  -4.621
   67   1HZ   LYS  62          1HZ       LYS  62  15.634  -0.819  -5.670
   68   2HZ   LYS  62          2HZ       LYS  62  14.228  -1.108  -4.891
   69   3HZ   LYS  62          3HZ       LYS  62  15.646  -1.225  -4.088
   70    H    LYS  63           HN       LYS  63  12.037  -7.103  -9.743
   71    HA   LYS  63           HA       LYS  63  12.210  -5.489 -12.185
   72   1HB   LYS  63          2HB       LYS  63  12.483  -8.478 -11.889
   73   2HB   LYS  63          3HB       LYS  63  11.895  -7.769 -13.379
   74   1HG   LYS  63          2HG       LYS  63  13.941  -6.795 -13.898
   75   2HG   LYS  63          3HG       LYS  63  14.368  -6.531 -12.219
   76   1HD   LYS  63          2HD       LYS  63  15.736  -8.337 -12.414
   77   2HD   LYS  63          3HD       LYS  63  14.285  -9.318 -12.384
   78   1HE   LYS  63          2HE       LYS  63  14.929 -10.054 -14.444
   79   2HE   LYS  63          3HE       LYS  63  14.356  -8.510 -15.043
   80   1HZ   LYS  63          1HZ       LYS  63  17.081  -9.329 -14.452
   81   2HZ   LYS  63          2HZ       LYS  63  16.499  -8.542 -15.759
   82   3HZ   LYS  63          3HZ       LYS  63  16.701  -7.744 -14.349
   83    H    GLY  64           HN       GLY  64  10.365  -6.041  -9.640
   84   1HA   GLY  64          1HA       GLY  64   7.949  -5.384 -10.852
   85   2HA   GLY  64          2HA       GLY  64   7.962  -7.126 -10.666
   86    H    TYR  65           HN       TYR  65   6.057  -5.694  -9.270
   87    HA   TYR  65           HA       TYR  65   7.119  -5.349  -6.571
   88   1HB   TYR  65          2HB       TYR  65   4.514  -4.759  -8.093
   89   2HB   TYR  65          3HB       TYR  65   4.601  -4.560  -6.354
   90    HD1  TYR  65           HD1      TYR  65   5.933  -2.752  -5.355
   91    HD2  TYR  65           HD2      TYR  65   5.656  -3.212  -9.599
   92    HE1  TYR  65           HE1      TYR  65   6.849  -0.402  -5.677
   93    HE2  TYR  65           HE2      TYR  65   6.572  -0.860  -9.907
   94    HH   TYR  65           HH       TYR  65   7.907   0.913  -7.261
   95    H    HIS  66           HN       HIS  66   7.072  -7.052  -5.199
   96    HA   HIS  66           HA       HIS  66   4.766  -8.465  -4.662
   97   1HB   HIS  66          2HB       HIS  66   5.332 -10.699  -5.574
   98   2HB   HIS  66          3HB       HIS  66   4.922  -9.519  -6.803
   99    HD1  HIS  66           HD1      HIS  66   6.442  -9.569  -8.774
  100    HD2  HIS  66           HD2      HIS  66   8.391 -10.780  -5.263
  101    HE1  HIS  66           HE1      HIS  66   8.817 -10.204  -9.458
  102    H    TRP  67           HN       TRP  67   5.232 -10.335  -3.113
  103    HA   TRP  67           HA       TRP  67   7.362  -9.504  -1.390
  104   1HB   TRP  67          2HB       TRP  67   5.269 -11.671  -1.223
  105   2HB   TRP  67          3HB       TRP  67   6.501 -11.439   0.001
  106    HD1  TRP  67           HD1      TRP  67   3.324  -9.750  -1.371
  107    HE1  TRP  67           HE1      TRP  67   2.425  -7.907   0.289
  108    HE3  TRP  67           HE3      TRP  67   7.323  -9.876   1.767
  109    HZ2  TRP  67           HZ2      TRP  67   3.463  -6.735   2.675
  110    HZ3  TRP  67           HZ3      TRP  67   7.301  -8.351   3.738
  111    HH2  TRP  67           HH2      TRP  67   5.458  -6.818   4.215
  112    H    LYS  68           HN       LYS  68   9.145 -10.902  -0.705
  113    HA   LYS  68           HA       LYS  68  10.509 -12.074  -2.781
  114   1HB   LYS  68          2HB       LYS  68  11.956 -13.032  -0.997
  115   2HB   LYS  68          3HB       LYS  68  11.646 -11.318  -0.815
  116   1HG   LYS  68          2HG       LYS  68   9.567 -12.264   0.657
  117   2HG   LYS  68          3HG       LYS  68  10.665 -13.616   0.854
  118   1HD   LYS  68          2HD       LYS  68  12.289 -12.321   1.969
  119   2HD   LYS  68          3HD       LYS  68  11.742 -10.820   1.250
  120   1HE   LYS  68          2HE       LYS  68  10.847 -10.552   3.377
  121   2HE   LYS  68          3HE       LYS  68   9.495 -11.364   2.612
  122   1HZ   LYS  68          1HZ       LYS  68  10.399 -12.270   4.793
  123   2HZ   LYS  68          2HZ       LYS  68  10.042 -13.341   3.613
  124   3HZ   LYS  68          3HZ       LYS  68  11.596 -12.928   3.898
  125    H    SER  69           HN       SER  69   8.506 -13.658  -0.205
  126    HA   SER  69           HA       SER  69   8.918 -16.219  -1.224
  127   1HB   SER  69          2HB       SER  69   6.861 -16.768   0.198
  128   2HB   SER  69          3HB       SER  69   8.205 -16.030   1.045
  129    HG   SER  69           HG       SER  69   6.428 -14.145  -0.005
  130    H    GLU  70           HN       GLU  70   6.947 -13.539  -2.252
  131    HA   GLU  70           HA       GLU  70   5.134 -15.286  -3.671
  132   1HB   GLU  70          2HB       GLU  70   5.209 -12.306  -3.117
  133   2HB   GLU  70          3HB       GLU  70   4.162 -12.946  -4.368
  134   1HG   GLU  70          2HG       GLU  70   3.717 -14.663  -2.175
  135   2HG   GLU  70          3HG       GLU  70   3.866 -13.078  -1.442
  136    H    CYS  71           HN       CYS  71   8.183 -13.873  -4.101
  137    HA   CYS  71           HA       CYS  71   8.089 -12.854  -6.655
  138   1HB   CYS  71          2HB       CYS  71  10.029 -12.617  -5.174
  139   2HB   CYS  71          3HB       CYS  71  10.356 -14.335  -5.282
  140    H    LYS  72           HN       LYS  72   7.419 -13.845  -8.526
  141    HA   LYS  72           HA       LYS  72   7.707 -16.762  -8.653
  142   1HB   LYS  72          2HB       LYS  72   5.475 -15.073  -9.080
  143   2HB   LYS  72          3HB       LYS  72   5.945 -15.667 -10.659
  144   1HG   LYS  72          2HG       LYS  72   6.115 -18.015  -9.467
  145   2HG   LYS  72          3HG       LYS  72   5.155 -17.269  -8.205
  146   1HD   LYS  72          2HD       LYS  72   3.263 -17.076  -9.550
  147   2HD   LYS  72          3HD       LYS  72   4.191 -16.883 -11.024
  148   1HE   LYS  72          2HE       LYS  72   4.846 -19.485 -10.149
  149   2HE   LYS  72          3HE       LYS  72   3.135 -19.342  -9.797
  150   1HZ   LYS  72          1HZ       LYS  72   3.325 -20.067 -11.994
  151   2HZ   LYS  72          2HZ       LYS  72   2.905 -18.494 -12.113
  152   3HZ   LYS  72          3HZ       LYS  72   4.449 -18.949 -12.387
  153    H    SER  73           HN       SER  73   9.554 -14.259  -9.326
  154    HA   SER  73           HA       SER  73   9.875 -14.440 -12.111
  155   1HB   SER  73          2HB       SER  73  11.584 -13.309  -9.865
  156   2HB   SER  73          3HB       SER  73  12.121 -13.266 -11.533
  157    HG   SER  73           HG       SER  73  10.396 -11.586 -10.272
  158    H    LYS  74           HN       LYS  74  12.226 -15.013 -13.009
  159    HA   LYS  74           HA       LYS  74  12.783 -17.700 -12.022
  160   1HB   LYS  74          2HB       LYS  74  12.196 -17.193 -14.455
  161   2HB   LYS  74          3HB       LYS  74  13.768 -16.430 -14.585
  162   1HG   LYS  74          2HG       LYS  74  14.936 -18.469 -14.161
  163   2HG   LYS  74          3HG       LYS  74  13.527 -19.240 -13.460
  164   1HD   LYS  74          2HD       LYS  74  13.722 -20.203 -15.636
  165   2HD   LYS  74          3HD       LYS  74  12.416 -19.044 -15.779
  166   1HE   LYS  74          2HE       LYS  74  13.551 -18.108 -17.510
  167   2HE   LYS  74          3HE       LYS  74  14.716 -17.518 -16.341
  168   1HZ   LYS  74          1HZ       LYS  74  14.885 -19.825 -18.074
  169   2HZ   LYS  74          2HZ       LYS  74  16.046 -18.760 -17.642
  170   3HZ   LYS  74          3HZ       LYS  74  15.602 -19.947 -16.612
  171    H    PHE  75           HN       PHE  75  14.310 -14.509 -12.676
  172    HA   PHE  75           HA       PHE  75  16.550 -15.425 -11.019
  173   1HB   PHE  75          2HB       PHE  75  16.369 -14.091 -13.732
  174   2HB   PHE  75          3HB       PHE  75  17.640 -13.508 -12.676
  175    HD1  PHE  75           HD1      PHE  75  16.258 -16.864 -13.593
  176    HD2  PHE  75           HD2      PHE  75  19.696 -14.423 -13.117
  177    HE1  PHE  75           HE1      PHE  75  17.717 -18.784 -14.287
  178    HE2  PHE  75           HE2      PHE  75  21.156 -16.343 -13.811
  179    HZ   PHE  75           HZ       PHE  75  20.149 -18.501 -14.387
  180    H    ASP  76           HN       ASP  76  17.797 -13.533 -10.044
  181    HA   ASP  76           HA       ASP  76  16.035 -11.248  -9.691
  182   1HB   ASP  76          2HB       ASP  76  16.779 -11.219  -7.254
  183   2HB   ASP  76          3HB       ASP  76  15.700 -12.531  -7.685
  184    H    LYS  77           HN       LYS  77  17.595  -9.636  -8.083
  185    HA   LYS  77           HA       LYS  77  19.424  -8.482  -9.630
  186   1HB   LYS  77          2HB       LYS  77  20.308  -7.430  -7.684
  187   2HB   LYS  77          3HB       LYS  77  18.600  -7.702  -7.401
  188   1HG   LYS  77          2HG       LYS  77  19.083  -9.693  -6.038
  189   2HG   LYS  77          3HG       LYS  77  20.788  -9.600  -6.433
  190   1HD   LYS  77          2HD       LYS  77  21.128  -8.204  -4.683
  191   2HD   LYS  77          3HD       LYS  77  20.044  -7.029  -5.400
  192   1HE   LYS  77          2HE       LYS  77  19.021  -7.461  -3.316
  193   2HE   LYS  77          3HE       LYS  77  18.112  -8.493  -4.402
  194   1HZ   LYS  77          1HZ       LYS  77  18.949 -10.306  -3.456
  195   2HZ   LYS  77          2HZ       LYS  77  20.463  -9.710  -3.318
  196   3HZ   LYS  77          3HZ       LYS  77  19.333  -9.336  -2.200
  197    H    ASP  78           HN       ASP  78  21.751  -8.518  -9.884
  198    HA   ASP  78           HA       ASP  78  23.661  -9.478 -10.242
  199   1HB   ASP  78          2HB       ASP  78  24.029  -9.817  -7.914
  200   2HB   ASP  78          3HB       ASP  78  22.782 -11.042  -7.799
  201    H    GLY  79           HN       GLY  79  20.834 -10.698 -11.094
  202   1HA   GLY  79          1HA       GLY  79  20.100 -12.347 -12.430
  203   2HA   GLY  79          2HA       GLY  79  21.767 -12.591 -12.913
  204    H    ASN  80           HN       ASN  80  20.344 -12.951  -9.608
  205    HA   ASN  80           HA       ASN  80  21.567 -15.512  -9.424
  206   1HB   ASN  80          2HB       ASN  80  20.009 -13.684  -7.581
  207   2HB   ASN  80          3HB       ASN  80  20.128 -15.375  -7.138
  208   1HD2  ASN  80          1HD2      ASN  80  21.586 -12.369  -7.044
  209   2HD2  ASN  80          2HD2      ASN  80  23.181 -12.810  -6.533
  210    HA   PRO  81           HA       PRO  81  17.926 -17.747 -10.423
  211   1HB   PRO  81          2HB       PRO  81  18.416 -20.152  -9.221
  212   2HB   PRO  81          3HB       PRO  81  19.110 -19.693 -10.763
  213   1HG   PRO  81          2HG       PRO  81  20.406 -19.813  -8.109
  214   2HG   PRO  81          3HG       PRO  81  21.152 -19.776  -9.694
  215   1HD   PRO  81          2HD       PRO  81  20.947 -17.595  -7.843
  216   2HD   PRO  81          3HD       PRO  81  21.589 -17.530  -9.472
  217    H    LEU  82           HN       LEU  82  16.119 -16.795  -9.646
  218    HA   LEU  82           HA       LEU  82  15.511 -16.306  -7.094
  219   1HB   LEU  82          2HB       LEU  82  14.126 -16.501  -9.555
  220   2HB   LEU  82          3HB       LEU  82  13.154 -17.339  -8.362
  221    HG   LEU  82           HG       LEU  82  12.309 -15.217  -8.199
  222   1HD1  LEU  82          1HD1      LEU  82  12.829 -14.382  -6.096
  223   2HD1  LEU  82          2HD1      LEU  82  13.387 -16.070  -6.004
  224   3HD1  LEU  82          3HD1      LEU  82  14.562 -14.757  -6.259
  225   1HD2  LEU  82          1HD2      LEU  82  13.800 -13.144  -8.231
  226   2HD2  LEU  82          2HD2      LEU  82  15.092 -14.223  -8.808
  227   3HD2  LEU  82          3HD2      LEU  82  13.601 -14.032  -9.760
  228    HA   PRO  83           HA       PRO  83  15.629 -20.430  -5.504
  229   1HB   PRO  83          2HB       PRO  83  16.266 -19.745  -2.936
  230   2HB   PRO  83          3HB       PRO  83  17.469 -20.059  -4.171
  231   1HG   PRO  83          2HG       PRO  83  16.602 -17.467  -3.044
  232   2HG   PRO  83          3HG       PRO  83  18.061 -17.841  -3.941
  233   1HD   PRO  83          2HD       PRO  83  15.731 -16.495  -4.937
  234   2HD   PRO  83          3HD       PRO  83  17.141 -16.973  -5.861
  235    HA   PRO  84           HA       PRO  84  11.533 -20.152  -4.191
  236   1HB   PRO  84          2HB       PRO  84  10.814 -22.733  -4.728
  237   2HB   PRO  84          3HB       PRO  84  10.726 -21.447  -5.915
  238   1HG   PRO  84          2HG       PRO  84  12.700 -23.637  -5.698
  239   2HG   PRO  84          3HG       PRO  84  12.338 -22.617  -7.077
  240   1HD   PRO  84          2HD       PRO  84  14.605 -22.404  -5.333
  241   2HD   PRO  84          3HD       PRO  84  14.182 -21.316  -6.640
  Start of MODEL    9
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.079  -3.646  -2.768
    9   1HB   PRO  55          2HB       PRO  55  -0.798  -3.356  -4.733
   10   2HB   PRO  55          3HB       PRO  55  -1.206  -3.597  -3.046
   11   1HG   PRO  55          2HG       PRO  55  -1.339  -1.116  -4.648
   12   2HG   PRO  55          3HG       PRO  55  -2.122  -1.482  -3.123
   13   1HD   PRO  55          2HD       PRO  55   0.198   0.160  -3.510
   14   2HD   PRO  55          3HD       PRO  55  -0.517  -0.300  -1.978
   15    H    GLY  56           HN       GLY  56   1.566  -0.952  -4.915
   16   1HA   GLY  56          1HA       GLY  56   3.808  -1.417  -6.084
   17   2HA   GLY  56          2HA       GLY  56   2.932  -2.755  -6.800
   18    H    LEU  57           HN       LEU  57   3.889   0.401  -7.321
   19    HA   LEU  57           HA       LEU  57   1.574   1.549  -8.423
   20   1HB   LEU  57          2HB       LEU  57   3.690   2.687  -7.657
   21   2HB   LEU  57          3HB       LEU  57   4.445   2.137  -9.139
   22    HG   LEU  57           HG       LEU  57   3.277   3.604 -10.465
   23   1HD1  LEU  57          1HD1      LEU  57   1.116   4.717  -9.704
   24   2HD1  LEU  57          2HD1      LEU  57   1.043   2.976 -10.069
   25   3HD1  LEU  57          3HD1      LEU  57   1.096   3.529  -8.378
   26   1HD2  LEU  57          1HD2      LEU  57   3.822   4.790  -7.786
   27   2HD2  LEU  57          2HD2      LEU  57   4.537   5.153  -9.375
   28   3HD2  LEU  57          3HD2      LEU  57   2.920   5.774  -8.964
   29    H    CYS  58           HN       CYS  58   0.407   0.525  -9.976
   30    HA   CYS  58           HA       CYS  58   1.266  -1.384 -11.679
   31   1HB   CYS  58          2HB       CYS  58  -1.095  -0.774 -11.356
   32   2HB   CYS  58          3HB       CYS  58  -0.850   0.721 -12.238
   33    HA   PRO  59           HA       PRO  59   4.004   1.170 -14.071
   34   1HB   PRO  59          2HB       PRO  59   5.531  -0.859 -15.080
   35   2HB   PRO  59          3HB       PRO  59   5.873  -0.070 -13.553
   36   1HG   PRO  59          2HG       PRO  59   4.699  -2.740 -14.038
   37   2HG   PRO  59          3HG       PRO  59   5.432  -2.113 -12.575
   38   1HD   PRO  59          2HD       PRO  59   2.628  -2.430 -13.090
   39   2HD   PRO  59          3HD       PRO  59   3.358  -1.696 -11.676
   40    H    ARG  60           HN       ARG  60   1.474  -0.649 -14.880
   41    HA   ARG  60           HA       ARG  60   2.065  -0.653 -17.689
   42   1HB   ARG  60          2HB       ARG  60   0.267  -2.083 -15.908
   43   2HB   ARG  60          3HB       ARG  60  -0.682  -1.347 -17.184
   44   1HG   ARG  60          2HG       ARG  60   1.515  -2.370 -18.578
   45   2HG   ARG  60          3HG       ARG  60   1.261  -3.577 -17.333
   46   1HD   ARG  60          2HD       ARG  60  -0.382  -4.426 -18.663
   47   2HD   ARG  60          3HD       ARG  60  -1.346  -3.038 -18.199
   48    HE   ARG  60           HE       ARG  60   0.427  -2.318 -20.358
   49   1HH1  ARG  60          1HH1      ARG  60  -1.948  -2.731 -22.882
   50   2HH1  ARG  60          2HH1      ARG  60  -0.410  -2.050 -22.468
   51   1HH2  ARG  60          1HH2      ARG  60  -3.158  -3.914 -21.294
   52   2HH2  ARG  60          2HH2      ARG  60  -2.524  -4.117 -19.695
   53    H    CYS  61           HN       CYS  61  -0.770   0.436 -15.666
   54    HA   CYS  61           HA       CYS  61  -1.437   2.377 -17.674
   55   1HB   CYS  61          2HB       CYS  61  -3.393   2.841 -16.282
   56   2HB   CYS  61          3HB       CYS  61  -3.223   1.120 -16.568
   57    H    LYS  62           HN       LYS  62   0.271   2.121 -14.584
   58    HA   LYS  62           HA       LYS  62   1.248   3.601 -13.259
   59   1HB   LYS  62          2HB       LYS  62   2.672   5.197 -14.321
   60   2HB   LYS  62          3HB       LYS  62   2.607   3.775 -15.342
   61   1HG   LYS  62          2HG       LYS  62   1.220   4.830 -16.956
   62   2HG   LYS  62          3HG       LYS  62   0.659   6.047 -15.826
   63   1HD   LYS  62          2HD       LYS  62   2.492   7.403 -16.157
   64   2HD   LYS  62          3HD       LYS  62   3.605   6.054 -16.271
   65   1HE   LYS  62          2HE       LYS  62   3.324   5.823 -18.563
   66   2HE   LYS  62          3HE       LYS  62   1.641   6.308 -18.520
   67   1HZ   LYS  62          1HZ       LYS  62   3.935   7.900 -18.933
   68   2HZ   LYS  62          2HZ       LYS  62   2.367   8.253 -19.223
   69   3HZ   LYS  62          3HZ       LYS  62   3.002   8.517 -17.742
   70    H    LYS  63           HN       LYS  63  -1.603   3.760 -13.335
   71    HA   LYS  63           HA       LYS  63  -1.898   6.614 -12.731
   72   1HB   LYS  63          2HB       LYS  63  -3.780   4.859 -14.325
   73   2HB   LYS  63          3HB       LYS  63  -4.290   6.357 -13.573
   74   1HG   LYS  63          2HG       LYS  63  -1.770   6.579 -15.145
   75   2HG   LYS  63          3HG       LYS  63  -3.178   6.158 -16.101
   76   1HD   LYS  63          2HD       LYS  63  -3.588   8.405 -16.132
   77   2HD   LYS  63          3HD       LYS  63  -4.221   8.161 -14.517
   78   1HE   LYS  63          2HE       LYS  63  -1.279   8.449 -14.539
   79   2HE   LYS  63          3HE       LYS  63  -2.091   9.849 -15.212
   80   1HZ   LYS  63          1HZ       LYS  63  -3.438   9.002 -12.914
   81   2HZ   LYS  63          2HZ       LYS  63  -1.854   9.180 -12.562
   82   3HZ   LYS  63          3HZ       LYS  63  -2.695  10.429 -13.193
   83    H    GLY  64           HN       GLY  64  -1.337   3.903 -11.276
   84   1HA   GLY  64          1HA       GLY  64  -2.584   4.479  -8.886
   85   2HA   GLY  64          2HA       GLY  64  -3.666   3.379  -9.717
   86    H    TYR  65           HN       TYR  65  -2.561   2.503  -7.357
   87    HA   TYR  65           HA       TYR  65  -0.262   0.858  -8.116
   88   1HB   TYR  65          2HB       TYR  65  -1.712   1.650  -5.519
   89   2HB   TYR  65          3HB       TYR  65  -0.419   0.467  -5.524
   90    HD1  TYR  65           HD1      TYR  65  -1.224   4.035  -6.128
   91    HD2  TYR  65           HD2      TYR  65   1.883   1.133  -5.646
   92    HE1  TYR  65           HE1      TYR  65   0.492   5.898  -5.907
   93    HE2  TYR  65           HE2      TYR  65   3.588   3.006  -5.426
   94    HH   TYR  65           HH       TYR  65   2.559   6.407  -5.578
   95    H    HIS  66           HN       HIS  66  -0.669  -1.167  -8.839
   96    HA   HIS  66           HA       HIS  66  -2.153  -2.986  -7.393
   97   1HB   HIS  66          2HB       HIS  66  -4.110  -3.322  -8.870
   98   2HB   HIS  66          3HB       HIS  66  -4.150  -1.808  -7.988
   99    HD1  HIS  66           HD1      HIS  66  -4.880   0.119  -9.383
  100    HD2  HIS  66           HD2      HIS  66  -2.898  -2.796 -11.656
  101    HE1  HIS  66           HE1      HIS  66  -4.921   0.945 -11.797
  102    H    TRP  67           HN       TRP  67  -2.457  -5.093  -8.710
  103    HA   TRP  67           HA       TRP  67  -0.056  -5.435 -10.253
  104   1HB   TRP  67          2HB       TRP  67  -2.212  -7.307  -9.282
  105   2HB   TRP  67          3HB       TRP  67  -0.913  -7.829 -10.336
  106    HD1  TRP  67           HD1      TRP  67  -1.501  -6.639  -6.716
  107    HE1  TRP  67           HE1      TRP  67   0.554  -7.230  -5.169
  108    HE3  TRP  67           HE3      TRP  67   1.537  -8.232 -10.469
  109    HZ2  TRP  67           HZ2      TRP  67   3.160  -8.274  -5.678
  110    HZ3  TRP  67           HZ3      TRP  67   3.821  -9.021  -9.858
  111    HH2  TRP  67           HH2      TRP  67   4.647  -9.058  -7.558
  112    H    LYS  68           HN       LYS  68  -0.012  -6.165 -12.480
  113    HA   LYS  68           HA       LYS  68  -1.718  -4.827 -14.170
  114   1HB   LYS  68          2HB       LYS  68   0.422  -5.513 -14.940
  115   2HB   LYS  68          3HB       LYS  68   0.110  -7.199 -14.578
  116   1HG   LYS  68          2HG       LYS  68  -1.858  -5.933 -16.432
  117   2HG   LYS  68          3HG       LYS  68  -0.228  -6.055 -17.063
  118   1HD   LYS  68          2HD       LYS  68  -0.182  -8.462 -16.734
  119   2HD   LYS  68          3HD       LYS  68  -1.657  -8.427 -15.788
  120   1HE   LYS  68          2HE       LYS  68  -2.910  -7.607 -17.816
  121   2HE   LYS  68          3HE       LYS  68  -1.433  -7.717 -18.753
  122   1HZ   LYS  68          1HZ       LYS  68  -3.183  -9.786 -17.934
  123   2HZ   LYS  68          2HZ       LYS  68  -2.047  -9.794 -19.107
  124   3HZ   LYS  68          3HZ       LYS  68  -1.630 -10.132 -17.565
  125    H    SER  69           HN       SER  69  -1.851  -8.240 -12.992
  126    HA   SER  69           HA       SER  69  -4.014  -8.964 -14.554
  127   1HB   SER  69          2HB       SER  69  -4.088 -10.930 -13.245
  128   2HB   SER  69          3HB       SER  69  -2.411 -10.430 -13.143
  129    HG   SER  69           HG       SER  69  -2.906 -10.783 -11.031
  130    H    GLU  70           HN       GLU  70  -3.734  -7.099 -11.556
  131    HA   GLU  70           HA       GLU  70  -6.579  -7.313 -11.103
  132   1HB   GLU  70          2HB       GLU  70  -4.288  -6.087  -9.524
  133   2HB   GLU  70          3HB       GLU  70  -5.960  -5.816  -9.076
  134   1HG   GLU  70          2HG       GLU  70  -4.734  -8.591  -9.426
  135   2HG   GLU  70          3HG       GLU  70  -4.846  -7.768  -7.883
  136    H    CYS  71           HN       CYS  71  -4.431  -5.456 -12.951
  137    HA   CYS  71           HA       CYS  71  -5.254  -2.867 -12.561
  138   1HB   CYS  71          2HB       CYS  71  -3.349  -3.429 -13.962
  139   2HB   CYS  71          3HB       CYS  71  -4.381  -4.246 -15.119
  140    H    LYS  72           HN       LYS  72  -7.245  -1.904 -12.794
  141    HA   LYS  72           HA       LYS  72  -9.145  -3.236 -14.598
  142   1HB   LYS  72          2HB       LYS  72  -9.535  -3.372 -12.039
  143   2HB   LYS  72          3HB       LYS  72  -9.962  -1.677 -12.149
  144   1HG   LYS  72          2HG       LYS  72 -11.664  -2.235 -13.913
  145   2HG   LYS  72          3HG       LYS  72 -11.252  -3.931 -13.759
  146   1HD   LYS  72          2HD       LYS  72 -11.836  -3.729 -11.259
  147   2HD   LYS  72          3HD       LYS  72 -12.478  -2.138 -11.618
  148   1HE   LYS  72          2HE       LYS  72 -14.438  -3.232 -12.047
  149   2HE   LYS  72          3HE       LYS  72 -13.705  -3.646 -13.583
  150   1HZ   LYS  72          1HZ       LYS  72 -14.564  -5.541 -12.272
  151   2HZ   LYS  72          2HZ       LYS  72 -13.000  -5.697 -12.713
  152   3HZ   LYS  72          3HZ       LYS  72 -13.378  -5.294 -11.177
  153    H    SER  73           HN       SER  73  -7.030  -0.869 -14.680
  154    HA   SER  73           HA       SER  73  -8.469   1.465 -14.952
  155   1HB   SER  73          2HB       SER  73  -5.783   0.461 -15.697
  156   2HB   SER  73          3HB       SER  73  -6.362   1.737 -16.748
  157    HG   SER  73           HG       SER  73  -5.411   1.917 -14.182
  158    H    LYS  74           HN       LYS  74  -8.207   2.632 -17.386
  159    HA   LYS  74           HA       LYS  74  -9.670   0.812 -19.168
  160   1HB   LYS  74          2HB       LYS  74 -10.124   3.628 -18.345
  161   2HB   LYS  74          3HB       LYS  74 -10.362   3.284 -20.046
  162   1HG   LYS  74          2HG       LYS  74 -11.663   1.134 -18.991
  163   2HG   LYS  74          3HG       LYS  74 -11.883   2.263 -17.669
  164   1HD   LYS  74          2HD       LYS  74 -12.676   3.965 -19.472
  165   2HD   LYS  74          3HD       LYS  74 -12.761   2.598 -20.565
  166   1HE   LYS  74          2HE       LYS  74 -14.961   2.775 -19.656
  167   2HE   LYS  74          3HE       LYS  74 -14.236   1.434 -18.791
  168   1HZ   LYS  74          1HZ       LYS  74 -14.021   2.677 -16.912
  169   2HZ   LYS  74          2HZ       LYS  74 -13.981   4.113 -17.688
  170   3HZ   LYS  74          3HZ       LYS  74 -15.397   3.319 -17.513
  171    H    PHE  75           HN       PHE  75  -7.248   3.476 -18.928
  172    HA   PHE  75           HA       PHE  75  -6.130   2.459 -21.439
  173   1HB   PHE  75          2HB       PHE  75  -7.017   5.198 -20.536
  174   2HB   PHE  75          3HB       PHE  75  -5.475   5.160 -21.368
  175    HD1  PHE  75           HD1      PHE  75  -8.937   3.815 -21.778
  176    HD2  PHE  75           HD2      PHE  75  -5.487   5.418 -23.658
  177    HE1  PHE  75           HE1      PHE  75 -10.130   3.791 -23.987
  178    HE2  PHE  75           HE2      PHE  75  -6.679   5.394 -25.867
  179    HZ   PHE  75           HZ       PHE  75  -8.986   4.581 -26.005
  180    H    ASP  76           HN       ASP  76  -3.915   2.166 -21.444
  181    HA   ASP  76           HA       ASP  76  -2.543   3.170 -19.074
  182   1HB   ASP  76          2HB       ASP  76  -1.106   1.129 -19.195
  183   2HB   ASP  76          3HB       ASP  76  -2.789   0.740 -18.904
  184    H    LYS  77           HN       LYS  77   0.090   2.657 -19.722
  185    HA   LYS  77           HA       LYS  77   0.928   4.602 -21.321
  186   1HB   LYS  77          2HB       LYS  77   2.074   1.904 -20.686
  187   2HB   LYS  77          3HB       LYS  77   2.902   2.921 -21.847
  188   1HG   LYS  77          2HG       LYS  77   3.418   4.564 -20.265
  189   2HG   LYS  77          3HG       LYS  77   2.012   4.215 -19.279
  190   1HD   LYS  77          2HD       LYS  77   3.762   3.342 -17.968
  191   2HD   LYS  77          3HD       LYS  77   3.177   1.913 -18.798
  192   1HE   LYS  77          2HE       LYS  77   4.968   2.188 -20.530
  193   2HE   LYS  77          3HE       LYS  77   5.554   3.614 -19.697
  194   1HZ   LYS  77          1HZ       LYS  77   5.530   1.861 -17.726
  195   2HZ   LYS  77          2HZ       LYS  77   5.827   0.850 -18.973
  196   3HZ   LYS  77          3HZ       LYS  77   6.828   2.108 -18.685
  197    H    ASP  78           HN       ASP  78   1.590   4.872 -23.541
  198    HA   ASP  78           HA       ASP  78   1.336   4.736 -25.689
  199   1HB   ASP  78          2HB       ASP  78   2.360   2.590 -25.772
  200   2HB   ASP  78          3HB       ASP  78   1.011   1.810 -24.970
  201    H    GLY  79           HN       GLY  79  -1.062   4.746 -23.585
  202   1HA   GLY  79          1HA       GLY  79  -3.295   4.984 -23.640
  203   2HA   GLY  79          2HA       GLY  79  -3.130   5.340 -25.348
  204    H    ASN  80           HN       ASN  80  -2.302   2.277 -23.606
  205    HA   ASN  80           HA       ASN  80  -3.776   0.835 -25.567
  206   1HB   ASN  80          2HB       ASN  80  -1.993   0.153 -23.219
  207   2HB   ASN  80          3HB       ASN  80  -3.065  -1.099 -23.815
  208   1HD2  ASN  80          1HD2      ASN  80  -0.120   0.451 -24.176
  209   2HD2  ASN  80          2HD2      ASN  80   0.369  -0.164 -25.720
  210    HA   PRO  81           HA       PRO  81  -7.370   0.629 -23.033
  211   1HB   PRO  81          2HB       PRO  81  -8.819  -1.190 -24.470
  212   2HB   PRO  81          3HB       PRO  81  -8.754   0.515 -24.870
  213   1HG   PRO  81          2HG       PRO  81  -7.416  -1.755 -26.210
  214   2HG   PRO  81          3HG       PRO  81  -7.712  -0.140 -26.821
  215   1HD   PRO  81          2HD       PRO  81  -5.221  -1.177 -25.850
  216   2HD   PRO  81          3HD       PRO  81  -5.546   0.470 -26.352
  217    H    LEU  82           HN       LEU  82  -6.885  -0.101 -21.030
  218    HA   LEU  82           HA       LEU  82  -5.740  -2.437 -20.398
  219   1HB   LEU  82          2HB       LEU  82  -7.756  -0.708 -19.049
  220   2HB   LEU  82          3HB       LEU  82  -7.414  -2.272 -18.338
  221    HG   LEU  82           HG       LEU  82  -5.984  -0.828 -17.211
  222   1HD1  LEU  82          1HD1      LEU  82  -4.872  -2.862 -18.275
  223   2HD1  LEU  82          2HD1      LEU  82  -4.146  -1.721 -19.433
  224   3HD1  LEU  82          3HD1      LEU  82  -3.803  -1.562 -17.694
  225   1HD2  LEU  82          1HD2      LEU  82  -5.207   0.473 -19.836
  226   2HD2  LEU  82          2HD2      LEU  82  -6.363   1.133 -18.654
  227   3HD2  LEU  82          3HD2      LEU  82  -4.651   0.936 -18.210
  228    HA   PRO  83           HA       PRO  83  -8.438  -5.669 -21.339
  229   1HB   PRO  83          2HB       PRO  83  -7.878  -7.525 -19.413
  230   2HB   PRO  83          3HB       PRO  83  -6.862  -7.265 -20.817
  231   1HG   PRO  83          2HG       PRO  83  -6.400  -6.437 -18.017
  232   2HG   PRO  83          3HG       PRO  83  -5.244  -6.569 -19.328
  233   1HD   PRO  83          2HD       PRO  83  -6.389  -4.154 -18.287
  234   2HD   PRO  83          3HD       PRO  83  -5.323  -4.298 -19.671
  235    HA   PRO  84           HA       PRO  84 -12.091  -5.506 -19.190
  236   1HB   PRO  84          2HB       PRO  84 -13.366  -7.806 -19.932
  237   2HB   PRO  84          3HB       PRO  84 -13.309  -6.374 -20.940
  238   1HG   PRO  84          2HG       PRO  84 -11.807  -8.904 -21.227
  239   2HG   PRO  84          3HG       PRO  84 -12.090  -7.654 -22.422
  240   1HD   PRO  84          2HD       PRO  84  -9.665  -8.114 -20.959
  241   2HD   PRO  84          3HD       PRO  84  -9.987  -6.795 -22.067
  Start of MODEL   10
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.506  -3.217  -3.686
    9   1HB   PRO  55          2HB       PRO  55   2.629  -2.769  -6.137
   10   2HB   PRO  55          3HB       PRO  55   0.970  -2.356  -5.753
   11   1HG   PRO  55          2HG       PRO  55   3.307  -0.568  -6.035
   12   2HG   PRO  55          3HG       PRO  55   1.603  -0.162  -6.077
   13   1HD   PRO  55          2HD       PRO  55   3.417   0.264  -3.896
   14   2HD   PRO  55          3HD       PRO  55   1.690   0.563  -3.897
   15    H    GLY  56           HN       GLY  56   3.031  -3.841  -1.876
   16   1HA   GLY  56          1HA       GLY  56   5.575  -4.677  -3.136
   17   2HA   GLY  56          2HA       GLY  56   5.409  -4.214  -1.454
   18    H    LEU  57           HN       LEU  57   6.472  -6.506  -1.342
   19    HA   LEU  57           HA       LEU  57   4.935  -8.764  -1.935
   20   1HB   LEU  57          2HB       LEU  57   7.425  -8.562  -1.484
   21   2HB   LEU  57          3HB       LEU  57   7.028  -8.531   0.222
   22    HG   LEU  57           HG       LEU  57   6.385 -10.750   0.272
   23   1HD1  LEU  57          1HD1      LEU  57   4.687 -10.816  -1.372
   24   2HD1  LEU  57          2HD1      LEU  57   5.843 -10.519  -2.692
   25   3HD1  LEU  57          3HD1      LEU  57   5.863 -12.073  -1.824
   26   1HD2  LEU  57          1HD2      LEU  57   8.537 -11.288   0.012
   27   2HD2  LEU  57          2HD2      LEU  57   8.074 -11.821  -1.622
   28   3HD2  LEU  57          3HD2      LEU  57   8.741 -10.189  -1.374
   29    H    CYS  58           HN       CYS  58   2.911  -9.110  -1.179
   30    HA   CYS  58           HA       CYS  58   1.675  -7.933   0.868
   31   1HB   CYS  58          2HB       CYS  58   0.558  -9.443  -0.702
   32   2HB   CYS  58          3HB       CYS  58   1.350 -10.830   0.019
   33    HA   PRO  59           HA       PRO  59   4.257  -9.500   4.143
   34   1HB   PRO  59          2HB       PRO  59   3.781  -7.475   5.915
   35   2HB   PRO  59          3HB       PRO  59   5.073  -7.429   4.732
   36   1HG   PRO  59          2HG       PRO  59   2.493  -5.987   4.714
   37   2HG   PRO  59          3HG       PRO  59   3.947  -5.648   3.796
   38   1HD   PRO  59          2HD       PRO  59   1.556  -6.898   2.823
   39   2HD   PRO  59          3HD       PRO  59   3.050  -6.663   1.938
   40    H    ARG  60           HN       ARG  60   1.063  -9.469   3.667
   41    HA   ARG  60           HA       ARG  60   0.368 -10.105   6.364
   42   1HB   ARG  60          2HB       ARG  60  -1.024  -9.359   3.917
   43   2HB   ARG  60          3HB       ARG  60  -1.747 -10.821   4.558
   44   1HG   ARG  60          2HG       ARG  60  -1.173  -8.842   6.673
   45   2HG   ARG  60          3HG       ARG  60  -2.244  -8.202   5.443
   46   1HD   ARG  60          2HD       ARG  60  -2.949 -10.967   6.228
   47   2HD   ARG  60          3HD       ARG  60  -3.002  -9.851   7.579
   48    HE   ARG  60           HE       ARG  60  -4.301  -8.758   5.208
   49   1HH1  ARG  60          1HH1      ARG  60  -7.520  -9.340   6.423
   50   2HH1  ARG  60          2HH1      ARG  60  -6.573  -8.513   5.232
   51   1HH2  ARG  60          1HH2      ARG  60  -6.482 -10.696   7.995
   52   2HH2  ARG  60          2HH2      ARG  60  -4.760 -10.881   7.976
   53    H    CYS  61           HN       CYS  61  -0.045 -11.801   3.158
   54    HA   CYS  61           HA       CYS  61  -0.076 -14.326   4.563
   55   1HB   CYS  61          2HB       CYS  61  -0.828 -15.295   2.503
   56   2HB   CYS  61          3HB       CYS  61  -1.741 -13.823   2.770
   57    H    LYS  62           HN       LYS  62   1.898 -12.350   2.309
   58    HA   LYS  62           HA       LYS  62   4.012 -12.486   1.687
   59   1HB   LYS  62          2HB       LYS  62   4.332 -14.532   3.903
   60   2HB   LYS  62          3HB       LYS  62   5.631 -13.695   3.078
   61   1HG   LYS  62          2HG       LYS  62   3.833 -11.656   3.937
   62   2HG   LYS  62          3HG       LYS  62   3.961 -12.767   5.285
   63   1HD   LYS  62          2HD       LYS  62   6.553 -12.658   4.848
   64   2HD   LYS  62          3HD       LYS  62   6.186 -11.228   3.904
   65   1HE   LYS  62          2HE       LYS  62   6.674 -10.428   6.115
   66   2HE   LYS  62          3HE       LYS  62   4.932 -10.317   5.952
   67   1HZ   LYS  62          1HZ       LYS  62   6.184 -11.577   7.930
   68   2HZ   LYS  62          2HZ       LYS  62   4.643 -11.881   7.485
   69   3HZ   LYS  62          3HZ       LYS  62   5.853 -12.835   6.943
   70    H    LYS  63           HN       LYS  63   2.219 -13.742   0.075
   71    HA   LYS  63           HA       LYS  63   3.811 -15.998  -0.864
   72   1HB   LYS  63          2HB       LYS  63   0.822 -16.073  -0.371
   73   2HB   LYS  63          3HB       LYS  63   1.674 -17.237  -1.364
   74   1HG   LYS  63          2HG       LYS  63   3.262 -17.342   0.841
   75   2HG   LYS  63          3HG       LYS  63   1.769 -16.847   1.614
   76   1HD   LYS  63          2HD       LYS  63   0.574 -18.781   0.705
   77   2HD   LYS  63          3HD       LYS  63   1.942 -19.220  -0.298
   78   1HE   LYS  63          2HE       LYS  63   3.051 -19.089   2.282
   79   2HE   LYS  63          3HE       LYS  63   1.464 -19.778   2.561
   80   1HZ   LYS  63          1HZ       LYS  63   3.581 -21.153   1.726
   81   2HZ   LYS  63          2HZ       LYS  63   2.036 -21.635   1.511
   82   3HZ   LYS  63          3HZ       LYS  63   2.830 -20.875   0.303
   83    H    GLY  64           HN       GLY  64   3.095 -12.982  -1.432
   84   1HA   GLY  64          1HA       GLY  64   3.482 -12.980  -4.145
   85   2HA   GLY  64          2HA       GLY  64   1.742 -13.043  -3.953
   86    H    TYR  65           HN       TYR  65   3.210 -10.820  -5.097
   87    HA   TYR  65           HA       TYR  65   3.303  -8.788  -3.043
   88   1HB   TYR  65          2HB       TYR  65   3.678  -8.980  -6.090
   89   2HB   TYR  65          3HB       TYR  65   3.804  -7.444  -5.255
   90    HD1  TYR  65           HD1      TYR  65   5.342 -10.798  -5.620
   91    HD2  TYR  65           HD2      TYR  65   5.774  -6.854  -4.017
   92    HE1  TYR  65           HE1      TYR  65   7.795 -11.257  -5.132
   93    HE2  TYR  65           HE2      TYR  65   8.225  -7.327  -3.535
   94    HH   TYR  65           HH       TYR  65   9.721  -8.990  -3.294
   95    H    HIS  66           HN       HIS  66   1.626  -7.498  -2.470
   96    HA   HIS  66           HA       HIS  66  -0.117  -6.327  -4.224
   97   1HB   HIS  66          2HB       HIS  66  -2.230  -7.617  -3.699
   98   2HB   HIS  66          3HB       HIS  66  -1.120  -8.359  -4.834
   99    HD1  HIS  66           HD1      HIS  66  -0.361 -10.709  -4.322
  100    HD2  HIS  66           HD2      HIS  66  -2.058  -8.804  -0.993
  101    HE1  HIS  66           HE1      HIS  66  -0.546 -12.485  -2.499
  102    H    TRP  67           HN       TRP  67  -2.116  -5.393  -2.967
  103    HA   TRP  67           HA       TRP  67  -1.069  -4.344  -0.527
  104   1HB   TRP  67          2HB       TRP  67  -3.546  -3.914  -2.162
  105   2HB   TRP  67          3HB       TRP  67  -3.453  -3.287  -0.528
  106    HD1  TRP  67           HD1      TRP  67  -1.588  -2.910  -3.922
  107    HE1  TRP  67           HE1      TRP  67  -0.402  -0.558  -4.080
  108    HE3  TRP  67           HE3      TRP  67  -2.661  -1.462   0.833
  109    HZ2  TRP  67           HZ2      TRP  67  -0.054   1.596  -2.241
  110    HZ3  TRP  67           HZ3      TRP  67  -1.861   0.781   1.572
  111    HH2  TRP  67           HH2      TRP  67  -0.599   2.290   0.122
  112    H    LYS  68           HN       LYS  68  -2.019  -4.617   1.600
  113    HA   LYS  68           HA       LYS  68  -2.628  -7.212   2.269
  114   1HB   LYS  68          2HB       LYS  68  -3.299  -4.650   3.748
  115   2HB   LYS  68          3HB       LYS  68  -3.332  -6.257   4.447
  116   1HG   LYS  68          2HG       LYS  68  -0.965  -6.541   4.211
  117   2HG   LYS  68          3HG       LYS  68  -0.831  -5.224   3.063
  118   1HD   LYS  68          2HD       LYS  68  -1.973  -4.040   5.368
  119   2HD   LYS  68          3HD       LYS  68  -0.762  -5.140   5.995
  120   1HE   LYS  68          2HE       LYS  68   1.012  -4.070   4.809
  121   2HE   LYS  68          3HE       LYS  68  -0.083  -3.292   3.684
  122   1HZ   LYS  68          1HZ       LYS  68  -0.124  -2.685   6.550
  123   2HZ   LYS  68          2HZ       LYS  68   0.837  -1.880   5.504
  124   3HZ   LYS  68          3HZ       LYS  68  -0.786  -1.821   5.333
  125    H    SER  69           HN       SER  69  -4.869  -4.412   1.737
  126    HA   SER  69           HA       SER  69  -7.148  -5.963   2.215
  127   1HB   SER  69          2HB       SER  69  -7.185  -3.526   2.441
  128   2HB   SER  69          3HB       SER  69  -6.753  -3.316   0.756
  129    HG   SER  69           HG       SER  69  -8.940  -3.080   0.703
  130    H    GLU  70           HN       GLU  70  -4.954  -5.687  -0.464
  131    HA   GLU  70           HA       GLU  70  -6.949  -6.530  -2.367
  132   1HB   GLU  70          2HB       GLU  70  -4.002  -5.809  -2.602
  133   2HB   GLU  70          3HB       GLU  70  -4.909  -6.467  -3.949
  134   1HG   GLU  70          2HG       GLU  70  -5.746  -3.969  -2.403
  135   2HG   GLU  70          3HG       GLU  70  -4.813  -3.928  -3.886
  136    H    CYS  71           HN       CYS  71  -5.098  -7.978   0.018
  137    HA   CYS  71           HA       CYS  71  -3.963 -10.155  -1.276
  138   1HB   CYS  71          2HB       CYS  71  -3.376  -9.566   1.009
  139   2HB   CYS  71          3HB       CYS  71  -5.009  -9.887   1.561
  140    H    LYS  72           HN       LYS  72  -5.002 -11.708  -2.474
  141    HA   LYS  72           HA       LYS  72  -7.794 -12.276  -1.765
  142   1HB   LYS  72          2HB       LYS  72  -7.031 -11.294  -4.098
  143   2HB   LYS  72          3HB       LYS  72  -6.612 -12.962  -4.436
  144   1HG   LYS  72          2HG       LYS  72  -8.794 -13.328  -4.935
  145   2HG   LYS  72          3HG       LYS  72  -9.155 -13.140  -3.231
  146   1HD   LYS  72          2HD       LYS  72  -8.919 -10.491  -4.099
  147   2HD   LYS  72          3HD       LYS  72  -9.665 -11.280  -5.475
  148   1HE   LYS  72          2HE       LYS  72 -10.711 -11.680  -2.641
  149   2HE   LYS  72          3HE       LYS  72 -11.246 -10.343  -3.640
  150   1HZ   LYS  72          1HZ       LYS  72 -12.219 -11.771  -5.131
  151   2HZ   LYS  72          2HZ       LYS  72 -11.331 -13.066  -4.684
  152   3HZ   LYS  72          3HZ       LYS  72 -12.527 -12.522  -3.714
  153    H    SER  73           HN       SER  73  -4.950 -13.335  -0.841
  154    HA   SER  73           HA       SER  73  -4.855 -15.975  -1.727
  155   1HB   SER  73          2HB       SER  73  -3.336 -14.268  -0.038
  156   2HB   SER  73          3HB       SER  73  -3.771 -15.641   0.961
  157    HG   SER  73           HG       SER  73  -2.898 -17.055  -0.703
  158    H    LYS  74           HN       LYS  74  -4.983 -17.874   0.024
  159    HA   LYS  74           HA       LYS  74  -7.642 -17.637   1.206
  160   1HB   LYS  74          2HB       LYS  74  -6.899 -19.471  -0.492
  161   2HB   LYS  74          3HB       LYS  74  -6.097 -20.202   0.884
  162   1HG   LYS  74          2HG       LYS  74  -8.585 -19.598   1.955
  163   2HG   LYS  74          3HG       LYS  74  -9.003 -19.968   0.294
  164   1HD   LYS  74          2HD       LYS  74  -7.075 -21.926   1.240
  165   2HD   LYS  74          3HD       LYS  74  -8.383 -21.809   2.400
  166   1HE   LYS  74          2HE       LYS  74  -9.085 -23.464   0.810
  167   2HE   LYS  74          3HE       LYS  74 -10.016 -22.029   0.430
  168   1HZ   LYS  74          1HZ       LYS  74  -7.829 -21.687  -1.053
  169   2HZ   LYS  74          2HZ       LYS  74  -7.977 -23.313  -1.100
  170   3HZ   LYS  74          3HZ       LYS  74  -9.211 -22.366  -1.596
  171    H    PHE  75           HN       PHE  75  -4.229 -18.534   1.947
  172    HA   PHE  75           HA       PHE  75  -4.930 -18.190   4.776
  173   1HB   PHE  75          2HB       PHE  75  -3.311 -20.248   3.226
  174   2HB   PHE  75          3HB       PHE  75  -2.774 -19.854   4.847
  175    HD1  PHE  75           HD1      PHE  75  -3.960 -20.639   6.765
  176    HD2  PHE  75           HD2      PHE  75  -5.552 -21.267   2.882
  177    HE1  PHE  75           HE1      PHE  75  -5.630 -22.256   7.712
  178    HE2  PHE  75           HE2      PHE  75  -7.222 -22.884   3.829
  179    HZ   PHE  75           HZ       PHE  75  -7.242 -23.359   6.232
  180    H    ASP  76           HN       ASP  76  -3.474 -17.001   6.050
  181    HA   ASP  76           HA       ASP  76  -1.207 -15.926   4.566
  182   1HB   ASP  76          2HB       ASP  76  -1.538 -13.792   5.815
  183   2HB   ASP  76          3HB       ASP  76  -2.915 -14.182   4.803
  184    H    LYS  77           HN       LYS  77   0.147 -14.590   6.569
  185    HA   LYS  77           HA       LYS  77   1.554 -16.385   7.929
  186   1HB   LYS  77          2HB       LYS  77   1.523 -13.694   7.828
  187   2HB   LYS  77          3HB       LYS  77   0.910 -13.909   9.455
  188   1HG   LYS  77          2HG       LYS  77   3.392 -15.378   8.478
  189   2HG   LYS  77          3HG       LYS  77   3.488 -13.765   9.155
  190   1HD   LYS  77          2HD       LYS  77   1.854 -15.297  10.942
  191   2HD   LYS  77          3HD       LYS  77   3.231 -16.305  10.543
  192   1HE   LYS  77          2HE       LYS  77   4.395 -15.121  12.099
  193   2HE   LYS  77          3HE       LYS  77   4.409 -13.799  10.948
  194   1HZ   LYS  77          1HZ       LYS  77   2.145 -14.204  12.757
  195   2HZ   LYS  77          2HZ       LYS  77   3.460 -13.353  13.218
  196   3HZ   LYS  77          3HZ       LYS  77   2.564 -12.849  11.949
  197    H    ASP  78           HN       ASP  78   1.577 -17.328  10.060
  198    HA   ASP  78           HA       ASP  78   0.709 -18.372  11.750
  199   1HB   ASP  78          2HB       ASP  78   0.037 -16.333  12.780
  200   2HB   ASP  78          3HB       ASP  78  -1.210 -16.031  11.586
  201    H    GLY  79           HN       GLY  79  -0.408 -18.523   8.764
  202   1HA   GLY  79          1HA       GLY  79  -1.863 -19.791   7.616
  203   2HA   GLY  79          2HA       GLY  79  -1.991 -20.791   9.050
  204    H    ASN  80           HN       ASN  80  -2.898 -17.311   8.609
  205    HA   ASN  80           HA       ASN  80  -5.425 -17.898   9.796
  206   1HB   ASN  80          2HB       ASN  80  -3.934 -15.410   8.928
  207   2HB   ASN  80          3HB       ASN  80  -5.670 -15.290   9.135
  208   1HD2  ASN  80          1HD2      ASN  80  -2.676 -15.205  10.625
  209   2HD2  ASN  80          2HD2      ASN  80  -3.153 -15.276  12.289
  210    HA   PRO  81           HA       PRO  81  -7.410 -18.195   5.881
  211   1HB   PRO  81          2HB       PRO  81 -10.019 -18.159   6.693
  212   2HB   PRO  81          3HB       PRO  81  -9.026 -19.603   6.721
  213   1HG   PRO  81          2HG       PRO  81  -9.878 -17.895   8.979
  214   2HG   PRO  81          3HG       PRO  81  -9.265 -19.536   9.014
  215   1HD   PRO  81          2HD       PRO  81  -7.824 -17.151   9.696
  216   2HD   PRO  81          3HD       PRO  81  -7.180 -18.779   9.619
  217    H    LEU  82           HN       LEU  82  -6.827 -16.435   4.687
  218    HA   LEU  82           HA       LEU  82  -7.354 -13.867   5.227
  219   1HB   LEU  82          2HB       LEU  82  -7.157 -15.432   2.699
  220   2HB   LEU  82          3HB       LEU  82  -7.692 -13.766   2.594
  221    HG   LEU  82           HG       LEU  82  -5.398 -13.639   2.236
  222   1HD1  LEU  82          1HD1      LEU  82  -6.320 -12.130   4.084
  223   2HD1  LEU  82          2HD1      LEU  82  -5.455 -13.193   5.220
  224   3HD1  LEU  82          3HD1      LEU  82  -4.552 -12.304   3.969
  225   1HD2  LEU  82          1HD2      LEU  82  -5.112 -16.076   3.130
  226   2HD2  LEU  82          2HD2      LEU  82  -3.733 -14.951   3.144
  227   3HD2  LEU  82          3HD2      LEU  82  -4.641 -15.264   4.642
  228    HA   PRO  83           HA       PRO  83 -11.611 -13.195   5.032
  229   1HB   PRO  83          2HB       PRO  83 -11.789 -10.622   4.127
  230   2HB   PRO  83          3HB       PRO  83 -11.400 -11.030   5.786
  231   1HG   PRO  83          2HG       PRO  83  -9.605 -10.058   3.648
  232   2HG   PRO  83          3HG       PRO  83  -9.345 -10.064   5.381
  233   1HD   PRO  83          2HD       PRO  83  -8.203 -11.871   3.468
  234   2HD   PRO  83          3HD       PRO  83  -8.037 -11.947   5.211
  235    HA   PRO  84           HA       PRO  84 -12.614 -14.316   0.993
  236   1HB   PRO  84          2HB       PRO  84 -14.915 -15.674   1.564
  237   2HB   PRO  84          3HB       PRO  84 -13.330 -16.422   1.586
  238   1HG   PRO  84          2HG       PRO  84 -15.030 -15.614   3.865
  239   2HG   PRO  84          3HG       PRO  84 -13.673 -16.721   3.847
  240   1HD   PRO  84          2HD       PRO  84 -13.671 -14.021   4.815
  241   2HD   PRO  84          3HD       PRO  84 -12.289 -15.090   4.689
  Start of MODEL   11
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.688  -3.182  -3.769
    9   1HB   PRO  55          2HB       PRO  55   3.291  -2.870  -5.961
   10   2HB   PRO  55          3HB       PRO  55   1.634  -2.303  -5.897
   11   1HG   PRO  55          2HG       PRO  55   4.136  -0.738  -5.723
   12   2HG   PRO  55          3HG       PRO  55   2.514  -0.180  -6.085
   13   1HD   PRO  55          2HD       PRO  55   3.914   0.109  -3.598
   14   2HD   PRO  55          3HD       PRO  55   2.253   0.563  -3.925
   15    H    GLY  56           HN       GLY  56   3.388  -4.796  -5.116
   16   1HA   GLY  56          1HA       GLY  56   5.551  -5.164  -3.128
   17   2HA   GLY  56          2HA       GLY  56   4.585  -6.486  -3.753
   18    H    LEU  57           HN       LEU  57   6.281  -3.608  -5.210
   19    HA   LEU  57           HA       LEU  57   6.945  -5.058  -7.547
   20   1HB   LEU  57          2HB       LEU  57   6.583  -2.568  -7.285
   21   2HB   LEU  57          3HB       LEU  57   8.172  -2.489  -6.551
   22    HG   LEU  57           HG       LEU  57   9.281  -2.913  -8.532
   23   1HD1  LEU  57          1HD1      LEU  57   8.107  -3.873 -10.572
   24   2HD1  LEU  57          2HD1      LEU  57   8.371  -4.981  -9.204
   25   3HD1  LEU  57          3HD1      LEU  57   6.759  -4.277  -9.482
   26   1HD2  LEU  57          1HD2      LEU  57   7.226  -0.984  -8.593
   27   2HD2  LEU  57          2HD2      LEU  57   8.728  -1.021  -9.547
   28   3HD2  LEU  57          3HD2      LEU  57   7.242  -1.753 -10.198
   29    H    CYS  58           HN       CYS  58   8.292  -6.782  -7.506
   30    HA   CYS  58           HA       CYS  58  10.061  -7.392  -5.538
   31   1HB   CYS  58          2HB       CYS  58   9.335  -8.946  -7.316
   32   2HB   CYS  58          3HB       CYS  58  10.314  -8.082  -8.484
   33    HA   PRO  59           HA       PRO  59  12.954  -4.134  -6.379
   34   1HB   PRO  59          2HB       PRO  59  14.218  -4.196  -3.957
   35   2HB   PRO  59          3HB       PRO  59  12.786  -3.235  -4.266
   36   1HG   PRO  59          2HG       PRO  59  13.029  -5.766  -2.758
   37   2HG   PRO  59          3HG       PRO  59  11.732  -4.588  -2.724
   38   1HD   PRO  59          2HD       PRO  59  11.714  -7.123  -4.067
   39   2HD   PRO  59          3HD       PRO  59  10.464  -5.895  -4.128
   40    H    ARG  60           HN       ARG  60  13.276  -7.351  -6.303
   41    HA   ARG  60           HA       ARG  60  16.148  -7.290  -6.301
   42   1HB   ARG  60          2HB       ARG  60  14.073  -9.287  -5.864
   43   2HB   ARG  60          3HB       ARG  60  15.165  -9.864  -7.107
   44   1HG   ARG  60          2HG       ARG  60  16.036 -10.582  -4.950
   45   2HG   ARG  60          3HG       ARG  60  17.115  -9.358  -5.589
   46   1HD   ARG  60          2HD       ARG  60  14.994  -8.088  -4.034
   47   2HD   ARG  60          3HD       ARG  60  15.769  -9.333  -3.075
   48    HE   ARG  60           HE       ARG  60  17.636  -7.567  -4.516
   49   1HH1  ARG  60          1HH1      ARG  60  18.732  -6.084  -1.554
   50   2HH1  ARG  60          2HH1      ARG  60  19.026  -6.269  -3.251
   51   1HH2  ARG  60          1HH2      ARG  60  16.926  -7.156  -0.566
   52   2HH2  ARG  60          2HH2      ARG  60  15.872  -8.140  -1.526
   53    H    CYS  61           HN       CYS  61  13.623  -8.764  -8.485
   54    HA   CYS  61           HA       CYS  61  15.434  -8.597 -10.696
   55   1HB   CYS  61          2HB       CYS  61  13.621  -9.674 -11.968
   56   2HB   CYS  61          3HB       CYS  61  13.994 -10.545 -10.494
   57    H    LYS  62           HN       LYS  62  12.544  -6.922  -9.387
   58    HA   LYS  62           HA       LYS  62  11.534  -5.037  -9.930
   59   1HB   LYS  62          2HB       LYS  62  14.141  -4.416  -9.834
   60   2HB   LYS  62          3HB       LYS  62  13.844  -4.006 -11.511
   61   1HG   LYS  62          2HG       LYS  62  11.729  -3.040  -9.662
   62   2HG   LYS  62          3HG       LYS  62  13.309  -2.355  -9.337
   63   1HD   LYS  62          2HD       LYS  62  13.291  -2.097 -12.047
   64   2HD   LYS  62          3HD       LYS  62  11.563  -2.044 -11.760
   65   1HE   LYS  62          2HE       LYS  62  12.339  -0.326  -9.808
   66   2HE   LYS  62          3HE       LYS  62  13.696  -0.105 -10.895
   67   1HZ   LYS  62          1HZ       LYS  62  11.447   1.199 -11.156
   68   2HZ   LYS  62          2HZ       LYS  62  12.386   0.830 -12.440
   69   3HZ   LYS  62          3HZ       LYS  62  11.075  -0.082 -12.099
   70    H    LYS  63           HN       LYS  63  11.114  -7.346 -11.596
   71    HA   LYS  63           HA       LYS  63  10.487  -5.957 -14.105
   72   1HB   LYS  63          2HB       LYS  63  11.548  -8.775 -13.761
   73   2HB   LYS  63          3HB       LYS  63  10.841  -8.172 -15.246
   74   1HG   LYS  63          2HG       LYS  63  12.621  -6.720 -15.679
   75   2HG   LYS  63          3HG       LYS  63  13.004  -6.502 -13.983
   76   1HD   LYS  63          2HD       LYS  63  14.789  -7.832 -14.875
   77   2HD   LYS  63          3HD       LYS  63  13.798  -8.942 -13.951
   78   1HE   LYS  63          2HE       LYS  63  12.589  -9.546 -16.120
   79   2HE   LYS  63          3HE       LYS  63  13.759  -8.566 -16.982
   80   1HZ   LYS  63          1HZ       LYS  63  14.053 -11.167 -16.038
   81   2HZ   LYS  63          2HZ       LYS  63  15.100 -10.289 -16.932
   82   3HZ   LYS  63          3HZ       LYS  63  15.172 -10.233 -15.302
   83    H    GLY  64           HN       GLY  64   9.149  -6.735 -11.349
   84   1HA   GLY  64          1HA       GLY  64   6.552  -6.984 -12.276
   85   2HA   GLY  64          2HA       GLY  64   7.122  -8.617 -11.992
   86    H    TYR  65           HN       TYR  65   5.030  -7.775 -10.443
   87    HA   TYR  65           HA       TYR  65   6.204  -6.863  -7.922
   88   1HB   TYR  65          2HB       TYR  65   3.393  -7.198  -9.125
   89   2HB   TYR  65          3HB       TYR  65   3.611  -6.802  -7.432
   90    HD1  TYR  65           HD1      TYR  65   3.861  -5.557 -10.877
   91    HD2  TYR  65           HD2      TYR  65   4.433  -4.592  -6.749
   92    HE1  TYR  65           HE1      TYR  65   3.994  -3.087 -11.466
   93    HE2  TYR  65           HE2      TYR  65   4.565  -2.125  -7.351
   94    HH   TYR  65           HH       TYR  65   4.207  -0.640  -8.931
   95    H    HIS  66           HN       HIS  66   6.875  -8.429  -6.544
   96    HA   HIS  66           HA       HIS  66   5.127 -10.401  -5.654
   97   1HB   HIS  66          2HB       HIS  66   6.288 -12.422  -6.496
   98   2HB   HIS  66          3HB       HIS  66   5.435 -11.529  -7.740
   99    HD1  HIS  66           HD1      HIS  66   6.736 -11.296  -9.849
  100    HD2  HIS  66           HD2      HIS  66   9.234 -11.520  -6.487
  101    HE1  HIS  66           HE1      HIS  66   9.129 -11.224 -10.731
  102    H    TRP  67           HN       TRP  67   6.364 -11.997  -4.145
  103    HA   TRP  67           HA       TRP  67   8.222 -10.387  -2.652
  104   1HB   TRP  67          2HB       TRP  67   6.873 -13.039  -2.198
  105   2HB   TRP  67          3HB       TRP  67   8.151 -12.466  -1.145
  106    HD1  TRP  67           HD1      TRP  67   4.549 -11.499  -2.208
  107    HE1  TRP  67           HE1      TRP  67   3.409  -9.965  -0.388
  108    HE3  TRP  67           HE3      TRP  67   8.697 -10.947   0.681
  109    HZ2  TRP  67           HZ2      TRP  67   4.350  -8.721   2.002
  110    HZ3  TRP  67           HZ3      TRP  67   8.500  -9.556   2.741
  111    HH2  TRP  67           HH2      TRP  67   6.421  -8.463   3.417
  112    H    LYS  68           HN       LYS  68  10.416 -11.061  -2.132
  113    HA   LYS  68           HA       LYS  68  11.894 -11.912  -4.276
  114   1HB   LYS  68          2HB       LYS  68  12.485 -11.913  -1.308
  115   2HB   LYS  68          3HB       LYS  68  13.686 -12.332  -2.513
  116   1HG   LYS  68          2HG       LYS  68  13.952 -10.160  -3.188
  117   2HG   LYS  68          3HG       LYS  68  12.229  -9.840  -3.168
  118   1HD   LYS  68          2HD       LYS  68  13.478 -10.218  -0.479
  119   2HD   LYS  68          3HD       LYS  68  14.014  -8.797  -1.352
  120   1HE   LYS  68          2HE       LYS  68  11.252  -8.738  -1.763
  121   2HE   LYS  68          3HE       LYS  68  11.373  -9.372  -0.133
  122   1HZ   LYS  68          1HZ       LYS  68  13.072  -7.127  -0.755
  123   2HZ   LYS  68          2HZ       LYS  68  11.471  -6.815  -0.672
  124   3HZ   LYS  68          3HZ       LYS  68  12.245  -7.460   0.613
  125    H    SER  69           HN       SER  69  10.693 -13.838  -1.452
  126    HA   SER  69           HA       SER  69  11.851 -16.209  -2.312
  127   1HB   SER  69          2HB       SER  69  10.960 -15.707   0.001
  128   2HB   SER  69          3HB       SER  69   9.331 -15.856  -0.629
  129    HG   SER  69           HG       SER  69   9.920 -18.078  -1.303
  130    H    GLU  70           HN       GLU  70   8.930 -14.462  -3.258
  131    HA   GLU  70           HA       GLU  70   7.831 -16.790  -4.538
  132   1HB   GLU  70          2HB       GLU  70   6.906 -13.942  -4.103
  133   2HB   GLU  70          3HB       GLU  70   6.116 -14.930  -5.315
  134   1HG   GLU  70          2HG       GLU  70   6.420 -16.509  -2.906
  135   2HG   GLU  70          3HG       GLU  70   5.718 -14.964  -2.468
  136    H    CYS  71           HN       CYS  71  10.179 -14.432  -5.219
  137    HA   CYS  71           HA       CYS  71   9.697 -13.630  -7.774
  138   1HB   CYS  71          2HB       CYS  71  11.586 -12.841  -6.414
  139   2HB   CYS  71          3HB       CYS  71  12.368 -14.403  -6.554
  140    H    LYS  72           HN       LYS  72   9.340 -14.759  -9.654
  141    HA   LYS  72           HA       LYS  72  10.390 -17.502  -9.757
  142   1HB   LYS  72          2HB       LYS  72   7.776 -16.833  -9.768
  143   2HB   LYS  72          3HB       LYS  72   8.100 -16.707 -11.485
  144   1HG   LYS  72          2HG       LYS  72   9.148 -19.021 -11.399
  145   2HG   LYS  72          3HG       LYS  72   8.654 -19.138  -9.721
  146   1HD   LYS  72          2HD       LYS  72   6.511 -18.354 -11.665
  147   2HD   LYS  72          3HD       LYS  72   7.110 -19.995 -11.808
  148   1HE   LYS  72          2HE       LYS  72   6.679 -20.348  -9.353
  149   2HE   LYS  72          3HE       LYS  72   6.039 -18.720  -9.244
  150   1HZ   LYS  72          1HZ       LYS  72   4.534 -19.526 -11.146
  151   2HZ   LYS  72          2HZ       LYS  72   4.912 -21.023 -10.616
  152   3HZ   LYS  72          3HZ       LYS  72   4.183 -19.962  -9.612
  153    H    SER  73           HN       SER  73  11.313 -14.556 -10.602
  154    HA   SER  73           HA       SER  73  11.476 -14.722 -13.396
  155   1HB   SER  73          2HB       SER  73  12.567 -12.978 -11.234
  156   2HB   SER  73          3HB       SER  73  13.514 -13.016 -12.708
  157    HG   SER  73           HG       SER  73  11.723 -11.365 -12.550
  158    H    LYS  74           HN       LYS  74  13.593 -14.878 -14.640
  159    HA   LYS  74           HA       LYS  74  15.061 -17.155 -13.651
  160   1HB   LYS  74          2HB       LYS  74  14.665 -15.788 -16.264
  161   2HB   LYS  74          3HB       LYS  74  16.203 -16.594 -16.031
  162   1HG   LYS  74          2HG       LYS  74  14.751 -18.613 -15.153
  163   2HG   LYS  74          3HG       LYS  74  13.418 -17.799 -15.947
  164   1HD   LYS  74          2HD       LYS  74  14.121 -19.035 -17.759
  165   2HD   LYS  74          3HD       LYS  74  15.219 -17.685 -17.975
  166   1HE   LYS  74          2HE       LYS  74  16.492 -19.398 -16.088
  167   2HE   LYS  74          3HE       LYS  74  15.833 -20.465 -17.313
  168   1HZ   LYS  74          1HZ       LYS  74  18.068 -19.566 -17.790
  169   2HZ   LYS  74          2HZ       LYS  74  16.981 -19.284 -18.976
  170   3HZ   LYS  74          3HZ       LYS  74  17.415 -18.079 -17.963
  171    H    PHE  75           HN       PHE  75  15.501 -13.652 -14.210
  172    HA   PHE  75           HA       PHE  75  17.940 -13.827 -12.641
  173   1HB   PHE  75          2HB       PHE  75  17.562 -12.859 -15.508
  174   2HB   PHE  75          3HB       PHE  75  18.751 -12.043 -14.511
  175    HD1  PHE  75           HD1      PHE  75  17.961 -15.066 -16.355
  176    HD2  PHE  75           HD2      PHE  75  20.728 -13.275 -13.681
  177    HE1  PHE  75           HE1      PHE  75  19.643 -16.847 -16.901
  178    HE2  PHE  75           HE2      PHE  75  22.410 -15.056 -14.228
  179    HZ   PHE  75           HZ       PHE  75  21.847 -16.821 -15.832
  180    H    ASP  76           HN       ASP  76  18.632 -11.676 -11.805
  181    HA   ASP  76           HA       ASP  76  16.463  -9.742 -11.932
  182   1HB   ASP  76          2HB       ASP  76  16.869  -9.277  -9.481
  183   2HB   ASP  76          3HB       ASP  76  16.182 -10.857  -9.800
  184    H    LYS  77           HN       LYS  77  17.519  -7.668 -10.460
  185    HA   LYS  77           HA       LYS  77  19.264  -6.382 -11.991
  186   1HB   LYS  77          2HB       LYS  77  18.893  -6.327  -8.999
  187   2HB   LYS  77          3HB       LYS  77  20.040  -5.260  -9.782
  188   1HG   LYS  77          2HG       LYS  77  17.563  -5.201 -11.285
  189   2HG   LYS  77          3HG       LYS  77  17.187  -4.960  -9.591
  190   1HD   LYS  77          2HD       LYS  77  17.624  -2.773 -10.510
  191   2HD   LYS  77          3HD       LYS  77  19.008  -3.177  -9.513
  192   1HE   LYS  77          2HE       LYS  77  20.086  -2.434 -11.449
  193   2HE   LYS  77          3HE       LYS  77  20.008  -4.154 -11.774
  194   1HZ   LYS  77          1HZ       LYS  77  19.227  -2.826 -13.622
  195   2HZ   LYS  77          2HZ       LYS  77  18.031  -3.785 -13.057
  196   3HZ   LYS  77          3HZ       LYS  77  18.032  -2.189 -12.709
  197    H    ASP  78           HN       ASP  78  21.578  -5.987 -12.032
  198    HA   ASP  78           HA       ASP  78  23.657  -6.594 -12.096
  199   1HB   ASP  78          2HB       ASP  78  23.836  -6.602  -9.725
  200   2HB   ASP  78          3HB       ASP  78  22.809  -8.012  -9.557
  201    H    GLY  79           HN       GLY  79  21.203  -8.424 -13.020
  202   1HA   GLY  79          1HA       GLY  79  20.929 -10.319 -14.195
  203   2HA   GLY  79          2HA       GLY  79  22.654 -10.286 -14.503
  204    H    ASN  80           HN       ASN  80  21.061 -10.515 -11.275
  205    HA   ASN  80           HA       ASN  80  22.688 -12.743 -10.656
  206   1HB   ASN  80          2HB       ASN  80  20.579 -11.101  -9.244
  207   2HB   ASN  80          3HB       ASN  80  20.947 -12.679  -8.578
  208   1HD2  ASN  80          1HD2      ASN  80  21.812  -9.447  -8.735
  209   2HD2  ASN  80          2HD2      ASN  80  23.372  -9.506  -7.985
  210    HA   PRO  81           HA       PRO  81  19.733 -15.774 -11.827
  211   1HB   PRO  81          2HB       PRO  81  20.711 -17.956 -10.503
  212   2HB   PRO  81          3HB       PRO  81  21.358 -17.392 -12.031
  213   1HG   PRO  81          2HG       PRO  81  22.504 -17.120  -9.319
  214   2HG   PRO  81          3HG       PRO  81  23.303 -16.956 -10.870
  215   1HD   PRO  81          2HD       PRO  81  22.493 -14.830  -9.124
  216   2HD   PRO  81          3HD       PRO  81  23.186 -14.665 -10.724
  217    H    LEU  82           HN       LEU  82  17.709 -16.448 -11.325
  218    HA   LEU  82           HA       LEU  82  17.116 -16.158  -8.465
  219   1HB   LEU  82          2HB       LEU  82  15.682 -15.422 -10.953
  220   2HB   LEU  82          3HB       LEU  82  14.701 -16.053  -9.646
  221    HG   LEU  82           HG       LEU  82  14.831 -14.156  -8.470
  222   1HD1  LEU  82          1HD1      LEU  82  16.952 -14.430  -7.543
  223   2HD1  LEU  82          2HD1      LEU  82  17.774 -14.218  -9.107
  224   3HD1  LEU  82          3HD1      LEU  82  17.027 -12.820  -8.298
  225   1HD2  LEU  82          1HD2      LEU  82  14.717 -12.293  -9.765
  226   2HD2  LEU  82          2HD2      LEU  82  16.220 -12.667 -10.643
  227   3HD2  LEU  82          3HD2      LEU  82  14.711 -13.516 -11.058
  228    HA   PRO  83           HA       PRO  83  16.038 -20.334  -8.353
  229   1HB   PRO  83          2HB       PRO  83  14.191 -20.401  -6.340
  230   2HB   PRO  83          3HB       PRO  83  15.918 -20.327  -6.054
  231   1HG   PRO  83          2HG       PRO  83  13.902 -18.181  -5.788
  232   2HG   PRO  83          3HG       PRO  83  15.519 -18.258  -5.116
  233   1HD   PRO  83          2HD       PRO  83  14.675 -16.725  -7.389
  234   2HD   PRO  83          3HD       PRO  83  16.312 -16.893  -6.787
  235    HA   PRO  84           HA       PRO  84  12.591 -21.202 -10.666
  236   1HB   PRO  84          2HB       PRO  84  12.139 -23.848 -10.153
  237   2HB   PRO  84          3HB       PRO  84  13.365 -23.284 -11.271
  238   1HG   PRO  84          2HG       PRO  84  13.704 -24.368  -8.542
  239   2HG   PRO  84          3HG       PRO  84  14.898 -24.203  -9.814
  240   1HD   PRO  84          2HD       PRO  84  14.607 -22.526  -7.505
  241   2HD   PRO  84          3HD       PRO  84  15.724 -22.294  -8.835
  Start of MODEL   12
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.134  -3.398  -3.288
    9   1HB   PRO  55          2HB       PRO  55   0.683  -2.824  -5.921
   10   2HB   PRO  55          3HB       PRO  55  -0.582  -2.817  -4.708
   11   1HG   PRO  55          2HG       PRO  55   0.759  -0.521  -6.001
   12   2HG   PRO  55          3HG       PRO  55  -0.761  -0.556  -5.129
   13   1HD   PRO  55          2HD       PRO  55   1.752   0.432  -4.159
   14   2HD   PRO  55          3HD       PRO  55   0.260   0.290  -3.250
   15    H    GLY  56           HN       GLY  56   3.521  -3.372  -2.562
   16   1HA   GLY  56          1HA       GLY  56   4.967  -4.447  -4.814
   17   2HA   GLY  56          2HA       GLY  56   5.605  -2.922  -4.233
   18    H    LEU  57           HN       LEU  57   7.546  -4.361  -3.755
   19    HA   LEU  57           HA       LEU  57   7.546  -6.412  -1.954
   20   1HB   LEU  57          2HB       LEU  57   9.417  -5.471  -3.391
   21   2HB   LEU  57          3HB       LEU  57   9.684  -4.294  -2.120
   22    HG   LEU  57           HG       LEU  57  10.502  -5.866  -0.626
   23   1HD1  LEU  57          1HD1      LEU  57   8.783  -7.461  -0.504
   24   2HD1  LEU  57          2HD1      LEU  57   8.973  -7.928  -2.212
   25   3HD1  LEU  57          3HD1      LEU  57  10.222  -8.372  -1.024
   26   1HD2  LEU  57          1HD2      LEU  57  12.029  -5.558  -2.523
   27   2HD2  LEU  57          2HD2      LEU  57  12.186  -7.177  -1.799
   28   3HD2  LEU  57          3HD2      LEU  57  11.306  -6.969  -3.332
   29    H    CYS  58           HN       CYS  58   6.559  -6.505  -0.008
   30    HA   CYS  58           HA       CYS  58   5.669  -4.434   1.463
   31   1HB   CYS  58          2HB       CYS  58   5.089  -6.774   1.909
   32   2HB   CYS  58          3HB       CYS  58   6.706  -7.090   2.507
   33    HA   PRO  59           HA       PRO  59   9.632  -2.768   2.593
   34   1HB   PRO  59          2HB       PRO  59   8.761  -0.242   3.167
   35   2HB   PRO  59          3HB       PRO  59   9.256  -0.743   1.562
   36   1HG   PRO  59          2HG       PRO  59   6.527  -0.291   2.603
   37   2HG   PRO  59          3HG       PRO  59   7.067  -0.372   0.938
   38   1HD   PRO  59          2HD       PRO  59   5.676  -2.416   2.392
   39   2HD   PRO  59          3HD       PRO  59   6.319  -2.539   0.766
   40    H    ARG  60           HN       ARG  60   7.089  -3.735   4.337
   41    HA   ARG  60           HA       ARG  60   7.950  -2.502   6.771
   42   1HB   ARG  60          2HB       ARG  60   5.894  -4.737   6.430
   43   2HB   ARG  60          3HB       ARG  60   6.035  -3.634   7.785
   44   1HG   ARG  60          2HG       ARG  60   5.569  -2.551   4.988
   45   2HG   ARG  60          3HG       ARG  60   4.223  -3.170   5.925
   46   1HD   ARG  60          2HD       ARG  60   4.229  -1.376   7.363
   47   2HD   ARG  60          3HD       ARG  60   5.978  -1.330   7.461
   48    HE   ARG  60           HE       ARG  60   5.268  -0.481   4.843
   49   1HH1  ARG  60          1HH1      ARG  60   5.006   2.933   5.516
   50   2HH1  ARG  60          2HH1      ARG  60   5.192   1.733   4.281
   51   1HH2  ARG  60          1HH2      ARG  60   4.833   2.293   7.740
   52   2HH2  ARG  60          2HH2      ARG  60   4.891   0.615   8.166
   53    H    CYS  61           HN       CYS  61   7.385  -5.940   5.682
   54    HA   CYS  61           HA       CYS  61   9.275  -6.827   7.679
   55   1HB   CYS  61          2HB       CYS  61   8.518  -9.066   7.153
   56   2HB   CYS  61          3HB       CYS  61   7.130  -8.025   7.401
   57    H    LYS  62           HN       LYS  62   8.816  -6.565   4.120
   58    HA   LYS  62           HA       LYS  62  10.250  -6.625   2.442
   59   1HB   LYS  62          2HB       LYS  62  11.633  -5.286   4.251
   60   2HB   LYS  62          3HB       LYS  62  12.640  -6.720   4.253
   61   1HG   LYS  62          2HG       LYS  62  12.957  -6.544   1.802
   62   2HG   LYS  62          3HG       LYS  62  11.868  -5.173   1.734
   63   1HD   LYS  62          2HD       LYS  62  13.625  -3.799   2.128
   64   2HD   LYS  62          3HD       LYS  62  13.784  -4.502   3.725
   65   1HE   LYS  62          2HE       LYS  62  15.902  -4.972   2.871
   66   2HE   LYS  62          3HE       LYS  62  15.067  -6.446   2.424
   67   1HZ   LYS  62          1HZ       LYS  62  14.689  -5.541   0.256
   68   2HZ   LYS  62          2HZ       LYS  62  15.366  -4.112   0.663
   69   3HZ   LYS  62          3HZ       LYS  62  16.286  -5.459   0.590
   70    H    LYS  63           HN       LYS  63   9.027  -8.982   3.163
   71    HA   LYS  63           HA       LYS  63  11.102 -10.884   2.413
   72   1HB   LYS  63          2HB       LYS  63   9.397 -11.036   4.889
   73   2HB   LYS  63          3HB       LYS  63   9.916 -12.504   4.086
   74   1HG   LYS  63          2HG       LYS  63  12.259 -10.959   4.167
   75   2HG   LYS  63          3HG       LYS  63  11.489 -10.597   5.699
   76   1HD   LYS  63          2HD       LYS  63  11.408 -13.479   5.005
   77   2HD   LYS  63          3HD       LYS  63  13.037 -12.853   5.161
   78   1HE   LYS  63          2HE       LYS  63  12.239 -11.787   7.398
   79   2HE   LYS  63          3HE       LYS  63  10.820 -12.804   7.249
   80   1HZ   LYS  63          1HZ       LYS  63  12.916 -14.464   6.778
   81   2HZ   LYS  63          2HZ       LYS  63  13.439 -13.522   8.005
   82   3HZ   LYS  63          3HZ       LYS  63  12.052 -14.370   8.161
   83    H    GLY  64           HN       GLY  64   8.612  -9.308   1.338
   84   1HA   GLY  64          1HA       GLY  64   7.777 -11.121  -0.550
   85   2HA   GLY  64          2HA       GLY  64   6.657 -11.316   0.783
   86    H    TYR  65           HN       TYR  65   6.220 -10.193  -1.973
   87    HA   TYR  65           HA       TYR  65   5.863  -7.369  -1.585
   88   1HB   TYR  65          2HB       TYR  65   5.050  -9.485  -3.670
   89   2HB   TYR  65          3HB       TYR  65   4.702  -7.782  -3.892
   90    HD1  TYR  65           HD1      TYR  65   6.383  -6.259  -4.655
   91    HD2  TYR  65           HD2      TYR  65   7.444 -10.267  -3.602
   92    HE1  TYR  65           HE1      TYR  65   8.677  -5.935  -5.703
   93    HE2  TYR  65           HE2      TYR  65   9.734  -9.930  -4.653
   94    HH   TYR  65           HH       TYR  65  11.068  -8.567  -5.654
   95    H    HIS  66           HN       HIS  66   4.110  -6.369  -0.728
   96    HA   HIS  66           HA       HIS  66   1.511  -7.065  -1.216
   97   1HB   HIS  66          2HB       HIS  66   0.851  -8.004   1.036
   98   2HB   HIS  66          3HB       HIS  66   1.673  -9.100  -0.056
   99    HD1  HIS  66           HD1      HIS  66   3.698 -10.289   0.850
  100    HD2  HIS  66           HD2      HIS  66   2.672  -6.914   3.121
  101    HE1  HIS  66           HE1      HIS  66   5.229 -10.308   2.891
  102    H    TRP  67           HN       TRP  67  -0.012  -5.954   0.531
  103    HA   TRP  67           HA       TRP  67   1.086  -3.333   0.891
  104   1HB   TRP  67          2HB       TRP  67  -1.605  -4.597   1.337
  105   2HB   TRP  67          3HB       TRP  67  -1.253  -2.988   1.934
  106    HD1  TRP  67           HD1      TRP  67  -1.534  -4.887  -1.436
  107    HE1  TRP  67           HE1      TRP  67  -2.003  -3.215  -3.423
  108    HE3  TRP  67           HE3      TRP  67  -1.005  -0.643   1.316
  109    HZ2  TRP  67           HZ2      TRP  67  -2.097  -0.369  -3.617
  110    HZ3  TRP  67           HZ3      TRP  67  -1.301   1.540   0.151
  111    HH2  TRP  67           HH2      TRP  67  -1.829   1.720  -2.229
  112    H    LYS  68           HN       LYS  68   1.384  -2.261   2.941
  113    HA   LYS  68           HA       LYS  68   2.613  -3.748   4.889
  114   1HB   LYS  68          2HB       LYS  68   2.449  -1.727   6.273
  115   2HB   LYS  68          3HB       LYS  68   2.942  -1.361   4.632
  116   1HG   LYS  68          2HG       LYS  68   0.542  -0.790   4.076
  117   2HG   LYS  68          3HG       LYS  68   0.114  -1.072   5.752
  118   1HD   LYS  68          2HD       LYS  68   0.927   0.953   6.414
  119   2HD   LYS  68          3HD       LYS  68   2.422   0.738   5.526
  120   1HE   LYS  68          2HE       LYS  68   1.689   2.016   3.785
  121   2HE   LYS  68          3HE       LYS  68   0.164   1.157   3.694
  122   1HZ   LYS  68          1HZ       LYS  68  -0.192   3.421   4.303
  123   2HZ   LYS  68          2HZ       LYS  68  -0.597   2.479   5.573
  124   3HZ   LYS  68          3HZ       LYS  68   0.809   3.309   5.588
  125    H    SER  69           HN       SER  69  -0.804  -2.541   4.792
  126    HA   SER  69           HA       SER  69  -1.449  -3.717   7.243
  127   1HB   SER  69          2HB       SER  69  -3.777  -3.203   6.630
  128   2HB   SER  69          3HB       SER  69  -2.733  -1.850   6.244
  129    HG   SER  69           HG       SER  69  -4.250  -2.370   4.518
  130    H    GLU  70           HN       GLU  70  -1.086  -4.940   3.982
  131    HA   GLU  70           HA       GLU  70  -2.758  -7.217   4.487
  132   1HB   GLU  70          2HB       GLU  70  -1.056  -6.345   2.122
  133   2HB   GLU  70          3HB       GLU  70  -1.864  -7.899   2.162
  134   1HG   GLU  70          2HG       GLU  70  -3.393  -5.321   2.682
  135   2HG   GLU  70          3HG       GLU  70  -3.112  -5.891   1.050
  136    H    CYS  71           HN       CYS  71   0.343  -6.255   5.369
  137    HA   CYS  71           HA       CYS  71   1.943  -8.413   4.814
  138   1HB   CYS  71          2HB       CYS  71   2.790  -6.323   5.762
  139   2HB   CYS  71          3HB       CYS  71   1.948  -6.626   7.269
  140    H    LYS  72           HN       LYS  72   1.659 -10.557   5.316
  141    HA   LYS  72           HA       LYS  72   0.066 -11.151   7.711
  142   1HB   LYS  72          2HB       LYS  72  -0.414 -11.897   5.098
  143   2HB   LYS  72          3HB       LYS  72   0.418 -13.301   5.734
  144   1HG   LYS  72          2HG       LYS  72  -1.534 -13.929   6.703
  145   2HG   LYS  72          3HG       LYS  72  -1.360 -12.575   7.801
  146   1HD   LYS  72          2HD       LYS  72  -2.351 -11.437   5.397
  147   2HD   LYS  72          3HD       LYS  72  -3.248 -12.930   5.588
  148   1HE   LYS  72          2HE       LYS  72  -3.652 -12.203   8.045
  149   2HE   LYS  72          3HE       LYS  72  -3.036 -10.630   7.578
  150   1HZ   LYS  72          1HZ       LYS  72  -4.738 -10.630   5.815
  151   2HZ   LYS  72          2HZ       LYS  72  -5.364 -12.005   6.435
  152   3HZ   LYS  72          3HZ       LYS  72  -5.366 -10.634   7.322
  153    H    SER  73           HN       SER  73   3.134 -10.625   7.052
  154    HA   SER  73           HA       SER  73   4.326 -13.107   7.639
  155   1HB   SER  73          2HB       SER  73   5.179 -10.331   7.130
  156   2HB   SER  73          3HB       SER  73   6.180 -11.123   8.331
  157    HG   SER  73           HG       SER  73   6.341 -12.953   6.740
  158    H    LYS  74           HN       LYS  74   5.446 -13.715   9.643
  159    HA   LYS  74           HA       LYS  74   3.945 -13.015  11.945
  160   1HB   LYS  74          2HB       LYS  74   5.032 -15.262  11.357
  161   2HB   LYS  74          3HB       LYS  74   6.545 -14.555  11.886
  162   1HG   LYS  74          2HG       LYS  74   5.622 -15.679  13.806
  163   2HG   LYS  74          3HG       LYS  74   5.410 -13.963  14.095
  164   1HD   LYS  74          2HD       LYS  74   3.128 -15.101  12.625
  165   2HD   LYS  74          3HD       LYS  74   3.394 -15.935  14.143
  166   1HE   LYS  74          2HE       LYS  74   3.626 -13.459  15.118
  167   2HE   LYS  74          3HE       LYS  74   2.738 -13.018  13.673
  168   1HZ   LYS  74          1HZ       LYS  74   0.902 -14.007  14.432
  169   2HZ   LYS  74          2HZ       LYS  74   1.684 -15.265  15.117
  170   3HZ   LYS  74          3HZ       LYS  74   1.593 -13.836  15.902
  171    H    PHE  75           HN       PHE  75   7.235 -12.234  10.689
  172    HA   PHE  75           HA       PHE  75   7.308 -10.093  12.695
  173   1HB   PHE  75          2HB       PHE  75   9.343 -12.155  11.739
  174   2HB   PHE  75          3HB       PHE  75   9.932 -10.601  12.294
  175    HD1  PHE  75           HD1      PHE  75  10.494 -10.398  14.520
  176    HD2  PHE  75           HD2      PHE  75   7.614 -13.310  13.412
  177    HE1  PHE  75           HE1      PHE  75  10.405 -11.212  16.893
  178    HE2  PHE  75           HE2      PHE  75   7.524 -14.124  15.785
  179    HZ   PHE  75           HZ       PHE  75   8.921 -13.066  17.497
  180    H    ASP  76           HN       ASP  76   8.967  -8.331  12.030
  181    HA   ASP  76           HA       ASP  76   9.087  -8.132   9.138
  182   1HB   ASP  76          2HB       ASP  76   8.156  -5.947   9.093
  183   2HB   ASP  76          3HB       ASP  76   7.097  -6.838  10.169
  184    H    LYS  77           HN       LYS  77  10.365  -5.705   8.841
  185    HA   LYS  77           HA       LYS  77  12.943  -6.079   9.370
  186   1HB   LYS  77          2HB       LYS  77  13.284  -3.739   9.019
  187   2HB   LYS  77          3HB       LYS  77  11.937  -4.244   8.018
  188   1HG   LYS  77          2HG       LYS  77  10.317  -3.316   9.593
  189   2HG   LYS  77          3HG       LYS  77  11.565  -3.016  10.786
  190   1HD   LYS  77          2HD       LYS  77  12.193  -1.754   8.196
  191   2HD   LYS  77          3HD       LYS  77  10.658  -1.203   8.837
  192   1HE   LYS  77          2HE       LYS  77  12.091   0.290   9.908
  193   2HE   LYS  77          3HE       LYS  77  12.029  -0.977  11.117
  194   1HZ   LYS  77          1HZ       LYS  77  14.279  -0.316  10.607
  195   2HZ   LYS  77          2HZ       LYS  77  14.047  -1.882  10.209
  196   3HZ   LYS  77          3HZ       LYS  77  14.097  -0.741   9.041
  197    H    ASP  78           HN       ASP  78  14.498  -5.412  10.983
  198    HA   ASP  78           HA       ASP  78  15.252  -5.210  13.005
  199   1HB   ASP  78          2HB       ASP  78  14.241  -3.075  13.278
  200   2HB   ASP  78          3HB       ASP  78  12.621  -3.741  13.313
  201    H    GLY  79           HN       GLY  79  13.068  -7.357  12.092
  202   1HA   GLY  79          1HA       GLY  79  12.144  -9.217  12.946
  203   2HA   GLY  79          2HA       GLY  79  13.267  -9.064  14.283
  204    H    ASN  80           HN       ASN  80  10.631  -6.799  13.263
  205    HA   ASN  80           HA       ASN  80   9.724  -6.755  15.967
  206   1HB   ASN  80          2HB       ASN  80   9.073  -5.268  13.411
  207   2HB   ASN  80          3HB       ASN  80   7.890  -5.226  14.704
  208   1HD2  ASN  80          1HD2      ASN  80  10.689  -3.891  13.445
  209   2HD2  ASN  80          2HD2      ASN  80  11.205  -2.925  14.787
  210    HA   PRO  81           HA       PRO  81   6.461  -9.599  15.240
  211   1HB   PRO  81          2HB       PRO  81   4.769  -8.994  17.299
  212   2HB   PRO  81          3HB       PRO  81   6.194  -9.996  17.493
  213   1HG   PRO  81          2HG       PRO  81   5.774  -7.189  18.322
  214   2HG   PRO  81          3HG       PRO  81   6.993  -8.324  18.866
  215   1HD   PRO  81          2HD       PRO  81   7.365  -6.160  17.020
  216   2HD   PRO  81          3HD       PRO  81   8.553  -7.365  17.476
  217    H    LEU  82           HN       LEU  82   5.481  -9.344  13.311
  218    HA   LEU  82           HA       LEU  82   4.259  -7.152  12.397
  219   1HB   LEU  82          2HB       LEU  82   4.233  -9.955  11.826
  220   2HB   LEU  82          3HB       LEU  82   2.605  -9.333  11.646
  221    HG   LEU  82           HG       LEU  82   3.455  -9.085   9.520
  222   1HD1  LEU  82          1HD1      LEU  82   3.058  -6.919   9.172
  223   2HD1  LEU  82          2HD1      LEU  82   2.947  -6.770  10.942
  224   3HD1  LEU  82          3HD1      LEU  82   4.482  -6.415  10.113
  225   1HD2  LEU  82          1HD2      LEU  82   6.088  -8.455  10.841
  226   2HD2  LEU  82          2HD2      LEU  82   5.680  -9.761   9.703
  227   3HD2  LEU  82          3HD2      LEU  82   5.794  -8.081   9.125
  228    HA   PRO  83           HA       PRO  83   1.129  -6.714  15.489
  229   1HB   PRO  83          2HB       PRO  83   0.831  -4.009  15.235
  230   2HB   PRO  83          3HB       PRO  83   1.981  -4.747  16.331
  231   1HG   PRO  83          2HG       PRO  83   2.482  -3.413  13.741
  232   2HG   PRO  83          3HG       PRO  83   3.615  -3.770  15.029
  233   1HD   PRO  83          2HD       PRO  83   3.333  -5.187  12.551
  234   2HD   PRO  83          3HD       PRO  83   4.384  -5.612  13.888
  235    HA   PRO  84           HA       PRO  84  -2.358  -6.710  13.074
  236   1HB   PRO  84          2HB       PRO  84  -4.335  -6.152  14.876
  237   2HB   PRO  84          3HB       PRO  84  -3.625  -7.744  14.695
  238   1HG   PRO  84          2HG       PRO  84  -3.191  -5.754  16.838
  239   2HG   PRO  84          3HG       PRO  84  -2.844  -7.472  16.847
  240   1HD   PRO  84          2HD       PRO  84  -0.951  -5.339  16.531
  241   2HD   PRO  84          3HD       PRO  84  -0.622  -7.057  16.425
  Start of MODEL   13
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.070  -3.623  -2.815
    9   1HB   PRO  55          2HB       PRO  55  -0.701  -3.293  -4.870
   10   2HB   PRO  55          3HB       PRO  55  -1.197  -3.521  -3.205
   11   1HG   PRO  55          2HG       PRO  55  -1.192  -1.041  -4.813
   12   2HG   PRO  55          3HG       PRO  55  -2.058  -1.385  -3.329
   13   1HD   PRO  55          2HD       PRO  55   0.316   0.201  -3.602
   14   2HD   PRO  55          3HD       PRO  55  -0.484  -0.239  -2.107
   15    H    GLY  56           HN       GLY  56   1.267  -4.922  -4.941
   16   1HA   GLY  56          1HA       GLY  56   2.171  -4.273  -7.266
   17   2HA   GLY  56          2HA       GLY  56   3.529  -3.664  -6.341
   18    H    LEU  57           HN       LEU  57   4.664  -5.362  -7.757
   19    HA   LEU  57           HA       LEU  57   4.244  -8.049  -7.574
   20   1HB   LEU  57          2HB       LEU  57   5.877  -6.710  -8.994
   21   2HB   LEU  57          3HB       LEU  57   6.971  -6.770  -7.627
   22    HG   LEU  57           HG       LEU  57   7.334  -9.058  -7.826
   23   1HD1  LEU  57          1HD1      LEU  57   5.888 -10.523  -9.324
   24   2HD1  LEU  57          2HD1      LEU  57   5.159  -9.960  -7.801
   25   3HD1  LEU  57          3HD1      LEU  57   4.723  -9.177  -9.339
   26   1HD2  LEU  57          1HD2      LEU  57   7.963  -9.464 -10.124
   27   2HD2  LEU  57          2HD2      LEU  57   6.871  -8.176 -10.688
   28   3HD2  LEU  57          3HD2      LEU  57   8.296  -7.766  -9.705
   29    H    CYS  58           HN       CYS  58   3.928  -9.288  -5.807
   30    HA   CYS  58           HA       CYS  58   4.420  -8.631  -3.253
   31   1HB   CYS  58          2HB       CYS  58   3.126 -10.605  -3.972
   32   2HB   CYS  58          3HB       CYS  58   4.605 -11.424  -4.432
   33    HA   PRO  59           HA       PRO  59   8.862  -8.605  -3.482
   34   1HB   PRO  59          2HB       PRO  59   9.280  -6.972  -1.331
   35   2HB   PRO  59          3HB       PRO  59   9.043  -6.370  -2.959
   36   1HG   PRO  59          2HG       PRO  59   7.153  -6.360  -0.687
   37   2HG   PRO  59          3HG       PRO  59   7.106  -5.409  -2.157
   38   1HD   PRO  59          2HD       PRO  59   5.504  -7.709  -1.550
   39   2HD   PRO  59          3HD       PRO  59   5.541  -6.827  -3.064
   40    H    ARG  60           HN       ARG  60   6.776 -10.152  -1.566
   41    HA   ARG  60           HA       ARG  60   8.745 -10.925   0.370
   42   1HB   ARG  60          2HB       ARG  60   5.827 -11.014   0.131
   43   2HB   ARG  60          3HB       ARG  60   6.438 -12.588   0.599
   44   1HG   ARG  60          2HG       ARG  60   7.817 -10.480   2.088
   45   2HG   ARG  60          3HG       ARG  60   6.082 -10.318   2.272
   46   1HD   ARG  60          2HD       ARG  60   5.848 -12.511   3.199
   47   2HD   ARG  60          3HD       ARG  60   7.405 -13.036   2.590
   48    HE   ARG  60           HE       ARG  60   7.669 -10.790   4.424
   49   1HH1  ARG  60          1HH1      ARG  60   8.732 -12.779   7.088
   50   2HH1  ARG  60          2HH1      ARG  60   8.600 -11.163   6.478
   51   1HH2  ARG  60          1HH2      ARG  60   7.964 -14.565   5.820
   52   2HH2  ARG  60          2HH2      ARG  60   7.259 -14.282   4.263
   53    H    CYS  61           HN       CYS  61   6.507 -12.654  -1.938
   54    HA   CYS  61           HA       CYS  61   8.327 -14.905  -1.920
   55   1HB   CYS  61          2HB       CYS  61   6.580 -16.129  -3.037
   56   2HB   CYS  61          3HB       CYS  61   5.881 -15.275  -1.676
   57    H    LYS  62           HN       LYS  62   6.940 -12.366  -4.075
   58    HA   LYS  62           HA       LYS  62   7.690 -11.487  -5.961
   59   1HB   LYS  62          2HB       LYS  62  10.001 -12.078  -4.700
   60   2HB   LYS  62          3HB       LYS  62  10.186 -13.101  -6.110
   61   1HG   LYS  62          2HG       LYS  62  10.034 -11.254  -7.624
   62   2HG   LYS  62          3HG       LYS  62   9.325 -10.203  -6.415
   63   1HD   LYS  62          2HD       LYS  62  11.378  -9.813  -5.337
   64   2HD   LYS  62          3HD       LYS  62  12.073 -11.329  -5.874
   65   1HE   LYS  62          2HE       LYS  62  13.164 -10.045  -7.422
   66   2HE   LYS  62          3HE       LYS  62  11.648 -10.089  -8.299
   67   1HZ   LYS  62          1HZ       LYS  62  12.746  -7.956  -6.671
   68   2HZ   LYS  62          2HZ       LYS  62  11.991  -7.874  -8.117
   69   3HZ   LYS  62          3HZ       LYS  62  11.120  -8.092  -6.752
   70    H    LYS  63           HN       LYS  63   5.788 -13.435  -6.105
   71    HA   LYS  63           HA       LYS  63   6.474 -14.660  -8.651
   72   1HB   LYS  63          2HB       LYS  63   5.607 -16.191  -6.195
   73   2HB   LYS  63          3HB       LYS  63   5.323 -16.802  -7.812
   74   1HG   LYS  63          2HG       LYS  63   7.952 -16.127  -8.066
   75   2HG   LYS  63          3HG       LYS  63   7.915 -16.442  -6.343
   76   1HD   LYS  63          2HD       LYS  63   6.654 -18.658  -7.002
   77   2HD   LYS  63          3HD       LYS  63   7.263 -18.348  -8.615
   78   1HE   LYS  63          2HE       LYS  63   9.522 -18.608  -7.967
   79   2HE   LYS  63          3HE       LYS  63   9.193 -18.234  -6.287
   80   1HZ   LYS  63          1HZ       LYS  63   8.952 -20.375  -5.923
   81   2HZ   LYS  63          2HZ       LYS  63   7.715 -20.477  -6.984
   82   3HZ   LYS  63          3HZ       LYS  63   9.248 -20.723  -7.490
   83    H    GLY  64           HN       GLY  64   4.782 -12.398  -7.342
   84   1HA   GLY  64          1HA       GLY  64   2.703 -12.332  -9.117
   85   2HA   GLY  64          2HA       GLY  64   2.060 -13.203  -7.740
   86    H    TYR  65           HN       TYR  65   1.435 -10.445  -8.832
   87    HA   TYR  65           HA       TYR  65   2.486  -8.617  -6.889
   88   1HB   TYR  65          2HB       TYR  65   0.246  -8.618  -9.003
   89   2HB   TYR  65          3HB       TYR  65   0.660  -7.183  -8.088
   90    HD1  TYR  65           HD1      TYR  65   1.969  -9.632 -10.560
   91    HD2  TYR  65           HD2      TYR  65   2.512  -5.815  -8.705
   92    HE1  TYR  65           HE1      TYR  65   3.753  -9.044 -12.274
   93    HE2  TYR  65           HE2      TYR  65   4.293  -5.240 -10.426
   94    HH   TYR  65           HH       TYR  65   5.915  -6.646 -11.874
   95    H    HIS  66           HN       HIS  66   1.703  -8.223  -4.880
   96    HA   HIS  66           HA       HIS  66  -0.946  -7.982  -4.250
   97   1HB   HIS  66          2HB       HIS  66  -1.289 -10.089  -2.890
   98   2HB   HIS  66          3HB       HIS  66  -1.413 -10.250  -4.630
   99    HD1  HIS  66           HD1      HIS  66  -0.067 -12.097  -5.657
  100    HD2  HIS  66           HD2      HIS  66   1.410 -10.957  -1.901
  101    HE1  HIS  66           HE1      HIS  66   1.816 -13.729  -5.104
  102    H    TRP  67           HN       TRP  67  -1.257  -7.999  -1.748
  103    HA   TRP  67           HA       TRP  67   0.959  -6.585  -0.661
  104   1HB   TRP  67          2HB       TRP  67  -1.770  -7.371   0.301
  105   2HB   TRP  67          3HB       TRP  67  -0.584  -6.762   1.439
  106    HD1  TRP  67           HD1      TRP  67  -2.492  -5.584  -1.733
  107    HE1  TRP  67           HE1      TRP  67  -2.642  -2.950  -1.813
  108    HE3  TRP  67           HE3      TRP  67   0.482  -4.767   2.311
  109    HZ2  TRP  67           HZ2      TRP  67  -1.525  -0.868  -0.213
  110    HZ3  TRP  67           HZ3      TRP  67   0.902  -2.404   2.985
  111    HH2  TRP  67           HH2      TRP  67  -0.047  -0.491   1.796
  112    H    LYS  68           HN       LYS  68   2.319  -7.247   1.103
  113    HA   LYS  68           HA       LYS  68   3.246  -9.822   1.009
  114   1HB   LYS  68          2HB       LYS  68   4.727  -8.332   1.940
  115   2HB   LYS  68          3HB       LYS  68   3.509  -7.538   2.917
  116   1HG   LYS  68          2HG       LYS  68   4.234 -10.430   3.474
  117   2HG   LYS  68          3HG       LYS  68   5.268  -9.145   4.067
  118   1HD   LYS  68          2HD       LYS  68   2.555  -8.402   4.675
  119   2HD   LYS  68          3HD       LYS  68   2.750 -10.077   5.151
  120   1HE   LYS  68          2HE       LYS  68   4.995  -9.267   6.265
  121   2HE   LYS  68          3HE       LYS  68   4.320  -7.657   6.106
  122   1HZ   LYS  68          1HZ       LYS  68   3.343  -9.884   7.701
  123   2HZ   LYS  68          2HZ       LYS  68   3.554  -8.322   8.129
  124   3HZ   LYS  68          3HZ       LYS  68   2.283  -8.748   7.197
  125    H    SER  69           HN       SER  69   0.876  -8.361   3.327
  126    HA   SER  69           HA       SER  69   0.540 -10.731   4.754
  127   1HB   SER  69          2HB       SER  69  -0.059  -8.455   5.594
  128   2HB   SER  69          3HB       SER  69  -1.368  -8.372   4.432
  129    HG   SER  69           HG       SER  69  -2.223 -10.375   5.484
  130    H    GLU  70           HN       GLU  70  -0.735  -9.517   1.699
  131    HA   GLU  70           HA       GLU  70  -2.935 -11.352   1.722
  132   1HB   GLU  70          2HB       GLU  70  -1.888  -9.288  -0.236
  133   2HB   GLU  70          3HB       GLU  70  -3.103 -10.446  -0.740
  134   1HG   GLU  70          2HG       GLU  70  -3.677  -9.133   1.871
  135   2HG   GLU  70          3HG       GLU  70  -3.643  -8.034   0.506
  136    H    CYS  71           HN       CYS  71   0.394 -11.571   1.186
  137    HA   CYS  71           HA       CYS  71   0.681 -13.006  -1.114
  138   1HB   CYS  71          2HB       CYS  71   2.587 -12.246   0.177
  139   2HB   CYS  71          3HB       CYS  71   2.163 -13.291   1.518
  140    H    LYS  72           HN       LYS  72  -0.486 -14.784  -1.762
  141    HA   LYS  72           HA       LYS  72  -1.336 -16.652   0.331
  142   1HB   LYS  72          2HB       LYS  72  -2.622 -15.531  -2.039
  143   2HB   LYS  72          3HB       LYS  72  -2.693 -17.281  -2.023
  144   1HG   LYS  72          2HG       LYS  72  -3.967 -17.362  -0.068
  145   2HG   LYS  72          3HG       LYS  72  -3.292 -15.875   0.567
  146   1HD   LYS  72          2HD       LYS  72  -4.903 -15.622  -1.951
  147   2HD   LYS  72          3HD       LYS  72  -5.796 -16.044  -0.504
  148   1HE   LYS  72          2HE       LYS  72  -4.035 -13.978   0.318
  149   2HE   LYS  72          3HE       LYS  72  -4.608 -13.472  -1.258
  150   1HZ   LYS  72          1HZ       LYS  72  -6.666 -14.537   0.395
  151   2HZ   LYS  72          2HZ       LYS  72  -5.964 -13.209   1.034
  152   3HZ   LYS  72          3HZ       LYS  72  -6.632 -13.144  -0.455
  153    H    SER  73           HN       SER  73   1.350 -16.270  -1.269
  154    HA   SER  73           HA       SER  73   1.487 -18.593  -2.856
  155   1HB   SER  73          2HB       SER  73   3.139 -16.321  -2.259
  156   2HB   SER  73          3HB       SER  73   4.096 -17.753  -1.936
  157    HG   SER  73           HG       SER  73   2.831 -16.959  -4.399
  158    H    LYS  74           HN       LYS  74   2.737 -20.563  -2.389
  159    HA   LYS  74           HA       LYS  74   2.297 -21.490   0.246
  160   1HB   LYS  74          2HB       LYS  74   2.700 -22.613  -2.278
  161   2HB   LYS  74          3HB       LYS  74   4.114 -23.106  -1.367
  162   1HG   LYS  74          2HG       LYS  74   2.521 -24.800  -0.888
  163   2HG   LYS  74          3HG       LYS  74   2.468 -23.771   0.530
  164   1HD   LYS  74          2HD       LYS  74   0.303 -23.171   0.145
  165   2HD   LYS  74          3HD       LYS  74   0.615 -22.819  -1.544
  166   1HE   LYS  74          2HE       LYS  74   0.585 -25.339  -1.988
  167   2HE   LYS  74          3HE       LYS  74   0.065 -25.568  -0.331
  168   1HZ   LYS  74          1HZ       LYS  74  -1.916 -24.494  -0.749
  169   2HZ   LYS  74          2HZ       LYS  74  -1.384 -23.751  -2.102
  170   3HZ   LYS  74          3HZ       LYS  74  -1.691 -25.354  -2.118
  171    H    PHE  75           HN       PHE  75   5.223 -20.508  -1.636
  172    HA   PHE  75           HA       PHE  75   6.602 -20.307   0.947
  173   1HB   PHE  75          2HB       PHE  75   7.480 -21.331  -1.810
  174   2HB   PHE  75          3HB       PHE  75   8.663 -20.862  -0.605
  175    HD1  PHE  75           HD1      PHE  75   9.026 -22.217   1.377
  176    HD2  PHE  75           HD2      PHE  75   6.131 -23.340  -1.515
  177    HE1  PHE  75           HE1      PHE  75   8.911 -24.513   2.384
  178    HE2  PHE  75           HE2      PHE  75   6.016 -25.637  -0.509
  179    HZ   PHE  75           HZ       PHE  75   7.408 -26.196   1.429
  180    H    ASP  76           HN       ASP  76   8.612 -18.820   0.750
  181    HA   ASP  76           HA       ASP  76   8.077 -16.731  -1.199
  182   1HB   ASP  76          2HB       ASP  76   8.656 -15.049   0.620
  183   2HB   ASP  76          3HB       ASP  76   7.119 -15.863   0.834
  184    H    LYS  77           HN       LYS  77  10.147 -14.985  -0.665
  185    HA   LYS  77           HA       LYS  77  12.354 -15.997  -1.751
  186   1HB   LYS  77          2HB       LYS  77  11.791 -13.596  -0.999
  187   2HB   LYS  77          3HB       LYS  77  12.551 -14.018   0.522
  188   1HG   LYS  77          2HG       LYS  77  14.310 -14.944  -1.540
  189   2HG   LYS  77          3HG       LYS  77  13.806 -13.333  -2.008
  190   1HD   LYS  77          2HD       LYS  77  15.401 -12.570  -0.574
  191   2HD   LYS  77          3HD       LYS  77  14.299 -13.014   0.715
  192   1HE   LYS  77          2HE       LYS  77  15.707 -14.646   1.425
  193   2HE   LYS  77          3HE       LYS  77  15.696 -15.401  -0.157
  194   1HZ   LYS  77          1HZ       LYS  77  17.656 -14.522  -0.616
  195   2HZ   LYS  77          2HZ       LYS  77  17.247 -13.027  -0.104
  196   3HZ   LYS  77          3HZ       LYS  77  17.790 -14.135   0.965
  197    H    ASP  78           HN       ASP  78  14.410 -16.845  -1.024
  198    HA   ASP  78           HA       ASP  78  15.679 -18.189   0.108
  199   1HB   ASP  78          2HB       ASP  78  15.770 -16.714   1.970
  200   2HB   ASP  78          3HB       ASP  78  14.089 -16.983   2.386
  201    H    GLY  79           HN       GLY  79  12.631 -18.783  -0.668
  202   1HA   GLY  79          1HA       GLY  79  11.271 -20.570  -0.696
  203   2HA   GLY  79          2HA       GLY  79  12.659 -21.536  -0.237
  204    H    ASN  80           HN       ASN  80  11.044 -18.854   1.587
  205    HA   ASN  80           HA       ASN  80  10.978 -20.560   3.877
  206   1HB   ASN  80          2HB       ASN  80  10.388 -17.645   3.297
  207   2HB   ASN  80          3HB       ASN  80   9.723 -18.342   4.761
  208   1HD2  ASN  80          1HD2      ASN  80  12.383 -16.919   3.314
  209   2HD2  ASN  80          2HD2      ASN  80  13.596 -17.235   4.510
  210    HA   PRO  81           HA       PRO  81   6.742 -21.585   3.368
  211   1HB   PRO  81          2HB       PRO  81   6.033 -22.242   5.924
  212   2HB   PRO  81          3HB       PRO  81   6.898 -23.333   4.859
  213   1HG   PRO  81          2HG       PRO  81   7.928 -21.780   7.154
  214   2HG   PRO  81          3HG       PRO  81   8.643 -23.168   6.358
  215   1HD   PRO  81          2HD       PRO  81   9.428 -20.425   6.061
  216   2HD   PRO  81          3HD       PRO  81  10.065 -21.799   5.179
  217    H    LEU  82           HN       LEU  82   5.501 -19.966   2.610
  218    HA   LEU  82           HA       LEU  82   5.146 -17.557   3.711
  219   1HB   LEU  82          2HB       LEU  82   3.810 -19.200   1.803
  220   2HB   LEU  82          3HB       LEU  82   2.591 -18.410   2.783
  221    HG   LEU  82           HG       LEU  82   2.858 -16.905   1.065
  222   1HD1  LEU  82          1HD1      LEU  82   3.769 -16.116   3.550
  223   2HD1  LEU  82          2HD1      LEU  82   5.027 -15.515   2.444
  224   3HD1  LEU  82          3HD1      LEU  82   3.328 -15.044   2.199
  225   1HD2  LEU  82          1HD2      LEU  82   4.970 -16.314  -0.014
  226   2HD2  LEU  82          2HD2      LEU  82   5.852 -17.382   1.104
  227   3HD2  LEU  82          3HD2      LEU  82   4.693 -18.071  -0.057
  228    HA   PRO  83           HA       PRO  83   3.393 -18.773   7.582
  229   1HB   PRO  83          2HB       PRO  83   4.213 -16.577   8.988
  230   2HB   PRO  83          3HB       PRO  83   5.180 -18.030   8.830
  231   1HG   PRO  83          2HG       PRO  83   5.521 -15.421   7.483
  232   2HG   PRO  83          3HG       PRO  83   6.683 -16.718   7.673
  233   1HD   PRO  83          2HD       PRO  83   5.207 -16.069   5.300
  234   2HD   PRO  83          3HD       PRO  83   6.282 -17.435   5.525
  235    HA   PRO  84           HA       PRO  84  -0.188 -16.504   6.803
  236   1HB   PRO  84          2HB       PRO  84  -1.960 -18.229   7.966
  237   2HB   PRO  84          3HB       PRO  84  -1.447 -18.364   6.296
  238   1HG   PRO  84          2HG       PRO  84  -0.645 -20.006   8.620
  239   2HG   PRO  84          3HG       PRO  84  -0.492 -20.371   6.913
  240   1HD   PRO  84          2HD       PRO  84   1.600 -19.519   8.680
  241   2HD   PRO  84          3HD       PRO  84   1.728 -19.771   6.951
  Start of MODEL   14
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.079  -3.646  -2.768
    9   1HB   PRO  55          2HB       PRO  55  -0.797  -3.356  -4.733
   10   2HB   PRO  55          3HB       PRO  55  -1.206  -3.597  -3.046
   11   1HG   PRO  55          2HG       PRO  55  -1.338  -1.116  -4.649
   12   2HG   PRO  55          3HG       PRO  55  -2.122  -1.482  -3.125
   13   1HD   PRO  55          2HD       PRO  55   0.198   0.160  -3.511
   14   2HD   PRO  55          3HD       PRO  55  -0.517  -0.300  -1.978
   15    H    GLY  56           HN       GLY  56   3.038  -4.205  -3.567
   16   1HA   GLY  56          1HA       GLY  56   3.476  -3.313  -6.356
   17   2HA   GLY  56          2HA       GLY  56   4.753  -3.516  -5.174
   18    H    LEU  57           HN       LEU  57   2.450  -5.163  -7.316
   19    HA   LEU  57           HA       LEU  57   2.728  -7.764  -6.523
   20   1HB   LEU  57          2HB       LEU  57   1.237  -6.786  -8.293
   21   2HB   LEU  57          3HB       LEU  57   2.612  -6.794  -9.379
   22    HG   LEU  57           HG       LEU  57   2.747  -9.195  -9.330
   23   1HD1  LEU  57          1HD1      LEU  57   0.589 -10.214  -7.980
   24   2HD1  LEU  57          2HD1      LEU  57   2.265 -10.180  -7.380
   25   3HD1  LEU  57          3HD1      LEU  57   1.122  -8.902  -6.902
   26   1HD2  LEU  57          1HD2      LEU  57   1.104  -9.457 -10.817
   27   2HD2  LEU  57          2HD2      LEU  57  -0.164  -9.107  -9.617
   28   3HD2  LEU  57          3HD2      LEU  57   0.668  -7.771 -10.449
   29    H    CYS  58           HN       CYS  58   4.227  -9.418  -6.802
   30    HA   CYS  58           HA       CYS  58   6.874  -8.470  -7.521
   31   1HB   CYS  58          2HB       CYS  58   6.610  -9.612  -5.360
   32   2HB   CYS  58          3HB       CYS  58   5.996 -11.042  -6.167
   33    HA   PRO  59           HA       PRO  59   6.084 -10.533 -11.359
   34   1HB   PRO  59          2HB       PRO  59   8.152  -9.422 -12.758
   35   2HB   PRO  59          3HB       PRO  59   6.576  -8.670 -12.619
   36   1HG   PRO  59          2HG       PRO  59   9.099  -7.950 -11.257
   37   2HG   PRO  59          3HG       PRO  59   7.652  -6.986 -11.467
   38   1HD   PRO  59          2HD       PRO  59   8.484  -8.334  -9.076
   39   2HD   PRO  59          3HD       PRO  59   6.982  -7.466  -9.321
   40    H    ARG  60           HN       ARG  60   8.401 -10.986  -9.100
   41    HA   ARG  60           HA       ARG  60   9.980 -12.738 -10.710
   42   1HB   ARG  60          2HB       ARG  60  10.049 -12.427  -7.672
   43   2HB   ARG  60          3HB       ARG  60  11.331 -13.039  -8.698
   44   1HG   ARG  60          2HG       ARG  60  10.237 -10.212  -9.004
   45   2HG   ARG  60          3HG       ARG  60  11.537 -10.585  -7.890
   46   1HD   ARG  60          2HD       ARG  60  12.211 -11.823 -10.394
   47   2HD   ARG  60          3HD       ARG  60  11.675 -10.196 -10.762
   48    HE   ARG  60           HE       ARG  60  13.543 -10.349  -8.498
   49   1HH1  ARG  60          1HH1      ARG  60  16.123  -8.873 -10.326
   50   2HH1  ARG  60          2HH1      ARG  60  15.584  -9.354  -8.752
   51   1HH2  ARG  60          1HH2      ARG  60  14.772  -9.240 -12.177
   52   2HH2  ARG  60          2HH2      ARG  60  13.225  -9.995 -11.984
   53    H    CYS  61           HN       CYS  61   8.134 -13.118  -7.584
   54    HA   CYS  61           HA       CYS  61   7.903 -15.942  -8.098
   55   1HB   CYS  61          2HB       CYS  61   6.904 -16.058  -5.868
   56   2HB   CYS  61          3HB       CYS  61   8.425 -15.187  -5.830
   57    H    LYS  62           HN       LYS  62   5.887 -12.955  -7.916
   58    HA   LYS  62           HA       LYS  62   3.877 -12.477  -8.693
   59   1HB   LYS  62          2HB       LYS  62   4.969 -13.879 -10.696
   60   2HB   LYS  62          3HB       LYS  62   3.646 -14.966 -10.326
   61   1HG   LYS  62          2HG       LYS  62   2.043 -13.492 -11.073
   62   2HG   LYS  62          3HG       LYS  62   2.867 -12.094 -10.413
   63   1HD   LYS  62          2HD       LYS  62   4.588 -12.992 -12.461
   64   2HD   LYS  62          3HD       LYS  62   2.984 -13.212 -13.132
   65   1HE   LYS  62          2HE       LYS  62   2.462 -10.916 -13.014
   66   2HE   LYS  62          3HE       LYS  62   3.599 -10.613 -11.716
   67   1HZ   LYS  62          1HZ       LYS  62   5.283 -11.335 -13.547
   68   2HZ   LYS  62          2HZ       LYS  62   4.101 -10.838 -14.557
   69   3HZ   LYS  62          3HZ       LYS  62   4.735  -9.799 -13.469
   70    H    LYS  63           HN       LYS  63   4.094 -13.702  -6.173
   71    HA   LYS  63           HA       LYS  63   1.511 -15.069  -6.101
   72   1HB   LYS  63          2HB       LYS  63   4.057 -16.036  -4.771
   73   2HB   LYS  63          3HB       LYS  63   2.457 -16.611  -4.351
   74   1HG   LYS  63          2HG       LYS  63   2.086 -17.452  -6.621
   75   2HG   LYS  63          3HG       LYS  63   3.563 -16.703  -7.194
   76   1HD   LYS  63          2HD       LYS  63   4.948 -18.275  -6.134
   77   2HD   LYS  63          3HD       LYS  63   3.771 -18.635  -4.886
   78   1HE   LYS  63          2HE       LYS  63   3.743 -20.565  -6.280
   79   2HE   LYS  63          3HE       LYS  63   2.314 -19.674  -6.764
   80   1HZ   LYS  63          1HZ       LYS  63   4.583 -18.842  -8.220
   81   2HZ   LYS  63          2HZ       LYS  63   4.349 -20.451  -8.380
   82   3HZ   LYS  63          3HZ       LYS  63   3.153 -19.409  -8.771
   83    H    GLY  64           HN       GLY  64   2.394 -12.263  -5.679
   84   1HA   GLY  64          1HA       GLY  64   0.894 -11.494  -3.575
   85   2HA   GLY  64          2HA       GLY  64   2.426 -11.875  -2.813
   86    H    TYR  65           HN       TYR  65   1.998  -9.366  -2.416
   87    HA   TYR  65           HA       TYR  65   3.246  -7.905  -4.645
   88   1HB   TYR  65          2HB       TYR  65   1.275  -7.239  -2.386
   89   2HB   TYR  65          3HB       TYR  65   2.112  -5.957  -3.238
   90    HD1  TYR  65           HD1      TYR  65   1.400  -5.234  -5.402
   91    HD2  TYR  65           HD2      TYR  65  -0.303  -8.748  -3.654
   92    HE1  TYR  65           HE1      TYR  65  -0.395  -5.269  -7.202
   93    HE2  TYR  65           HE2      TYR  65  -2.092  -8.771  -5.460
   94    HH   TYR  65           HH       TYR  65  -2.824  -7.862  -7.275
   95    H    HIS  66           HN       HIS  66   5.398  -7.660  -4.256
   96    HA   HIS  66           HA       HIS  66   6.224  -6.218  -1.996
   97   1HB   HIS  66          2HB       HIS  66   7.674  -7.946  -0.966
   98   2HB   HIS  66          3HB       HIS  66   5.960  -8.239  -0.751
   99    HD1  HIS  66           HD1      HIS  66   5.372 -10.638  -1.044
  100    HD2  HIS  66           HD2      HIS  66   8.583  -9.506  -3.494
  101    HE1  HIS  66           HE1      HIS  66   6.073 -12.735  -2.319
  102    H    TRP  67           HN       TRP  67   8.704  -5.983  -2.013
  103    HA   TRP  67           HA       TRP  67   9.483  -5.619  -4.742
  104   1HB   TRP  67          2HB       TRP  67  10.801  -5.061  -2.088
  105   2HB   TRP  67          3HB       TRP  67  11.620  -4.806  -3.616
  106    HD1  TRP  67           HD1      TRP  67   8.755  -3.344  -1.503
  107    HE1  TRP  67           HE1      TRP  67   8.048  -0.953  -2.366
  108    HE3  TRP  67           HE3      TRP  67  11.598  -3.449  -5.717
  109    HZ2  TRP  67           HZ2      TRP  67   8.741   0.592  -4.664
  110    HZ3  TRP  67           HZ3      TRP  67  11.526  -1.459  -7.216
  111    HH2  TRP  67           HH2      TRP  67  10.161   0.514  -6.747
  112    H    LYS  68           HN       LYS  68  11.260  -6.685  -5.806
  113    HA   LYS  68           HA       LYS  68  11.398  -9.390  -5.511
  114   1HB   LYS  68          2HB       LYS  68  13.484  -9.225  -6.872
  115   2HB   LYS  68          3HB       LYS  68  12.124  -8.334  -7.524
  116   1HG   LYS  68          2HG       LYS  68  13.191  -6.347  -6.035
  117   2HG   LYS  68          3HG       LYS  68  14.650  -7.291  -6.257
  118   1HD   LYS  68          2HD       LYS  68  14.880  -6.469  -8.355
  119   2HD   LYS  68          3HD       LYS  68  13.342  -7.175  -8.811
  120   1HE   LYS  68          2HE       LYS  68  12.329  -5.053  -7.548
  121   2HE   LYS  68          3HE       LYS  68  13.921  -4.373  -7.821
  122   1HZ   LYS  68          1HZ       LYS  68  13.505  -5.218 -10.206
  123   2HZ   LYS  68          2HZ       LYS  68  11.930  -5.177  -9.778
  124   3HZ   LYS  68          3HZ       LYS  68  12.828  -3.815  -9.717
  125    H    SER  69           HN       SER  69  13.672  -6.909  -4.159
  126    HA   SER  69           HA       SER  69  15.272  -8.793  -2.891
  127   1HB   SER  69          2HB       SER  69  16.161  -6.850  -1.624
  128   2HB   SER  69          3HB       SER  69  16.033  -6.503  -3.337
  129    HG   SER  69           HG       SER  69  13.891  -5.497  -2.806
  130    H    GLU  70           HN       GLU  70  12.185  -7.264  -2.067
  131    HA   GLU  70           HA       GLU  70  12.393  -8.014   0.686
  132   1HB   GLU  70          2HB       GLU  70  10.263  -6.675  -1.009
  133   2HB   GLU  70          3HB       GLU  70   9.896  -7.216   0.617
  134   1HG   GLU  70          2HG       GLU  70  12.406  -5.596   0.240
  135   2HG   GLU  70          3HG       GLU  70  10.879  -4.749   0.102
  136    H    CYS  71           HN       CYS  71  11.668  -9.589  -2.243
  137    HA   CYS  71           HA       CYS  71   9.480 -11.118  -1.733
  138   1HB   CYS  71          2HB       CYS  71  10.742 -11.087  -3.867
  139   2HB   CYS  71          3HB       CYS  71  12.026 -12.019  -3.122
  140    H    LYS  72           HN       LYS  72   8.991 -12.487  -0.054
  141    HA   LYS  72           HA       LYS  72  11.261 -13.660   1.392
  142   1HB   LYS  72          2HB       LYS  72   9.778 -12.012   2.611
  143   2HB   LYS  72          3HB       LYS  72   8.466 -13.162   2.449
  144   1HG   LYS  72          2HG       LYS  72  10.515 -14.771   3.425
  145   2HG   LYS  72          3HG       LYS  72  10.844 -13.248   4.226
  146   1HD   LYS  72          2HD       LYS  72   7.974 -13.830   4.273
  147   2HD   LYS  72          3HD       LYS  72   8.881 -15.171   4.943
  148   1HE   LYS  72          2HE       LYS  72   8.661 -13.852   6.851
  149   2HE   LYS  72          3HE       LYS  72  10.192 -13.249   6.250
  150   1HZ   LYS  72          1HZ       LYS  72   8.346 -11.771   4.944
  151   2HZ   LYS  72          2HZ       LYS  72   7.705 -11.915   6.439
  152   3HZ   LYS  72          3HZ       LYS  72   9.202 -11.291   6.250
  153    H    SER  73           HN       SER  73   9.427 -14.433  -1.114
  154    HA   SER  73           HA       SER  73   8.147 -16.774  -0.214
  155   1HB   SER  73          2HB       SER  73   8.432 -15.274  -2.692
  156   2HB   SER  73          3HB       SER  73   8.660 -16.982  -3.009
  157    HG   SER  73           HG       SER  73   6.502 -16.962  -3.057
  158    H    LYS  74           HN       LYS  74   8.732 -19.019  -1.103
  159    HA   LYS  74           HA       LYS  74  11.564 -19.423  -0.659
  160   1HB   LYS  74          2HB       LYS  74   9.588 -20.750   0.390
  161   2HB   LYS  74          3HB       LYS  74   9.523 -21.587  -1.148
  162   1HG   LYS  74          2HG       LYS  74  11.130 -22.952  -0.280
  163   2HG   LYS  74          3HG       LYS  74  12.242 -21.641  -0.620
  164   1HD   LYS  74          2HD       LYS  74  10.945 -21.028   1.875
  165   2HD   LYS  74          3HD       LYS  74  11.448 -22.705   1.951
  166   1HE   LYS  74          2HE       LYS  74  13.749 -21.872   1.042
  167   2HE   LYS  74          3HE       LYS  74  13.186 -20.260   1.435
  168   1HZ   LYS  74          1HZ       LYS  74  14.404 -21.820   3.159
  169   2HZ   LYS  74          2HZ       LYS  74  13.334 -20.674   3.615
  170   3HZ   LYS  74          3HZ       LYS  74  12.862 -22.233   3.504
  171    H    PHE  75           HN       PHE  75   9.064 -19.935  -3.213
  172    HA   PHE  75           HA       PHE  75  11.296 -20.218  -5.099
  173   1HB   PHE  75          2HB       PHE  75   8.585 -21.630  -4.829
  174   2HB   PHE  75          3HB       PHE  75   9.454 -21.645  -6.351
  175    HD1  PHE  75           HD1      PHE  75   9.513 -22.796  -2.860
  176    HD2  PHE  75           HD2      PHE  75  11.399 -23.019  -6.655
  177    HE1  PHE  75           HE1      PHE  75  10.832 -24.787  -2.088
  178    HE2  PHE  75           HE2      PHE  75  12.717 -25.011  -5.883
  179    HZ   PHE  75           HZ       PHE  75  12.418 -25.871  -3.608
  180    H    ASP  76           HN       ASP  76  10.603 -19.673  -7.417
  181    HA   ASP  76           HA       ASP  76   8.476 -17.694  -7.386
  182   1HB   ASP  76          2HB       ASP  76   9.927 -16.240  -8.867
  183   2HB   ASP  76          3HB       ASP  76  10.498 -16.378  -7.216
  184    H    LYS  77           HN       LYS  77   8.465 -16.904 -10.028
  185    HA   LYS  77           HA       LYS  77   7.247 -18.799 -11.436
  186   1HB   LYS  77          2HB       LYS  77   7.482 -17.445 -13.294
  187   2HB   LYS  77          3HB       LYS  77   7.766 -16.317 -11.984
  188   1HG   LYS  77          2HG       LYS  77  10.321 -17.342 -12.446
  189   2HG   LYS  77          3HG       LYS  77   9.639 -17.302 -14.060
  190   1HD   LYS  77          2HD       LYS  77   9.260 -14.881 -12.294
  191   2HD   LYS  77          3HD       LYS  77  10.842 -15.151 -12.997
  192   1HE   LYS  77          2HE       LYS  77   8.494 -15.415 -14.852
  193   2HE   LYS  77          3HE       LYS  77   8.862 -13.798 -14.286
  194   1HZ   LYS  77          1HZ       LYS  77  10.614 -13.741 -15.600
  195   2HZ   LYS  77          2HZ       LYS  77  11.209 -15.156 -15.044
  196   3HZ   LYS  77          3HZ       LYS  77  10.135 -15.149 -16.274
  197    H    ASP  78           HN       ASP  78   7.795 -20.364 -13.083
  198    HA   ASP  78           HA       ASP  78   8.918 -22.023 -13.908
  199   1HB   ASP  78          2HB       ASP  78  10.516 -20.584 -14.920
  200   2HB   ASP  78          3HB       ASP  78  11.197 -20.100 -13.379
  201    H    GLY  79           HN       GLY  79   8.659 -21.379 -10.789
  202   1HA   GLY  79          1HA       GLY  79   9.085 -22.440  -8.856
  203   2HA   GLY  79          2HA       GLY  79   9.482 -23.853  -9.814
  204    H    ASN  80           HN       ASN  80  11.113 -20.621  -9.787
  205    HA   ASN  80           HA       ASN  80  13.610 -21.963  -9.477
  206   1HB   ASN  80          2HB       ASN  80  12.695 -19.118  -9.969
  207   2HB   ASN  80          3HB       ASN  80  14.323 -19.362  -9.367
  208   1HD2  ASN  80          1HD2      ASN  80  12.341 -19.256 -12.056
  209   2HD2  ASN  80          2HD2      ASN  80  13.391 -19.948 -13.248
  210    HA   PRO  81           HA       PRO  81  13.839 -21.224  -5.158
  211   1HB   PRO  81          2HB       PRO  81  16.532 -21.402  -4.732
  212   2HB   PRO  81          3HB       PRO  81  15.493 -22.803  -4.891
  213   1HG   PRO  81          2HG       PRO  81  17.404 -21.683  -6.848
  214   2HG   PRO  81          3HG       PRO  81  16.687 -23.281  -6.805
  215   1HD   PRO  81          2HD       PRO  81  15.944 -21.112  -8.529
  216   2HD   PRO  81          3HD       PRO  81  15.153 -22.670  -8.405
  217    H    LEU  82           HN       LEU  82  13.059 -19.270  -4.577
  218    HA   LEU  82           HA       LEU  82  13.918 -16.877  -5.387
  219   1HB   LEU  82          2HB       LEU  82  12.437 -17.930  -3.176
  220   2HB   LEU  82          3HB       LEU  82  13.452 -16.623  -2.600
  221    HG   LEU  82           HG       LEU  82  11.515 -15.510  -3.152
  222   1HD1  LEU  82          1HD1      LEU  82  12.287 -13.961  -4.563
  223   2HD1  LEU  82          2HD1      LEU  82  13.721 -15.004  -4.722
  224   3HD1  LEU  82          3HD1      LEU  82  12.403 -15.115  -5.914
  225   1HD2  LEU  82          1HD2      LEU  82  11.232 -17.282  -5.594
  226   2HD2  LEU  82          2HD2      LEU  82  10.297 -17.385  -4.083
  227   3HD2  LEU  82          3HD2      LEU  82  10.126 -15.963  -5.140
  228    HA   PRO  83           HA       PRO  83  18.107 -17.083  -3.985
  229   1HB   PRO  83          2HB       PRO  83  19.133 -15.366  -5.846
  230   2HB   PRO  83          3HB       PRO  83  19.008 -17.094  -6.104
  231   1HG   PRO  83          2HG       PRO  83  17.344 -14.927  -7.232
  232   2HG   PRO  83          3HG       PRO  83  17.517 -16.580  -7.787
  233   1HD   PRO  83          2HD       PRO  83  15.311 -15.485  -6.317
  234   2HD   PRO  83          3HD       PRO  83  15.539 -17.163  -6.772
  235    HA   PRO  84           HA       PRO  84  18.356 -13.589  -1.594
  236   1HB   PRO  84          2HB       PRO  84  21.030 -13.357  -1.078
  237   2HB   PRO  84          3HB       PRO  84  19.984 -14.480  -0.231
  238   1HG   PRO  84          2HG       PRO  84  21.979 -15.037  -2.340
  239   2HG   PRO  84          3HG       PRO  84  21.246 -16.149  -1.201
  240   1HD   PRO  84          2HD       PRO  84  20.589 -15.857  -3.978
  241   2HD   PRO  84          3HD       PRO  84  19.780 -16.884  -2.812
  Start of MODEL   15
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.087  -3.660  -2.738
    9   1HB   PRO  55          2HB       PRO  55  -0.857  -3.399  -4.640
   10   2HB   PRO  55          3HB       PRO  55  -1.206  -3.647  -2.941
   11   1HG   PRO  55          2HG       PRO  55  -1.429  -1.168  -4.535
   12   2HG   PRO  55          3HG       PRO  55  -2.157  -1.546  -2.987
   13   1HD   PRO  55          2HD       PRO  55   0.123   0.132  -3.447
   14   2HD   PRO  55          3HD       PRO  55  -0.535  -0.340  -1.893
   15    H    GLY  56           HN       GLY  56   0.584  -4.565  -5.308
   16   1HA   GLY  56          1HA       GLY  56   1.445  -4.523  -7.438
   17   2HA   GLY  56          2HA       GLY  56   2.455  -3.151  -7.028
   18    H    LEU  57           HN       LEU  57   2.038  -6.546  -5.771
   19    HA   LEU  57           HA       LEU  57   4.764  -6.777  -5.103
   20   1HB   LEU  57          2HB       LEU  57   2.766  -8.011  -4.144
   21   2HB   LEU  57          3HB       LEU  57   2.804  -9.019  -5.577
   22    HG   LEU  57           HG       LEU  57   4.746 -10.096  -4.960
   23   1HD1  LEU  57          1HD1      LEU  57   6.293  -8.347  -4.747
   24   2HD1  LEU  57          2HD1      LEU  57   5.425  -7.622  -3.373
   25   3HD1  LEU  57          3HD1      LEU  57   6.302  -9.156  -3.162
   26   1HD2  LEU  57          1HD2      LEU  57   3.852 -11.134  -3.219
   27   2HD2  LEU  57          2HD2      LEU  57   4.396  -9.824  -2.144
   28   3HD2  LEU  57          3HD2      LEU  57   2.795  -9.734  -2.917
   29    H    CYS  58           HN       CYS  58   6.353  -6.624  -6.604
   30    HA   CYS  58           HA       CYS  58   6.092  -6.994  -9.277
   31   1HB   CYS  58          2HB       CYS  58   8.050  -5.959  -8.210
   32   2HB   CYS  58          3HB       CYS  58   8.561  -7.515  -7.587
   33    HA   PRO  59           HA       PRO  59   5.442 -11.385  -9.159
   34   1HB   PRO  59          2HB       PRO  59   4.305 -11.605 -11.635
   35   2HB   PRO  59          3HB       PRO  59   3.384 -11.263 -10.184
   36   1HG   PRO  59          2HG       PRO  59   4.156  -9.424 -12.365
   37   2HG   PRO  59          3HG       PRO  59   2.908  -9.224 -11.151
   38   1HD   PRO  59          2HD       PRO  59   5.485  -7.964 -11.187
   39   2HD   PRO  59          3HD       PRO  59   4.283  -7.856  -9.916
   40    H    ARG  60           HN       ARG  60   7.643  -9.550 -10.668
   41    HA   ARG  60           HA       ARG  60   8.567 -11.645 -12.391
   42   1HB   ARG  60          2HB       ARG  60   8.934  -8.771 -12.165
   43   2HB   ARG  60          3HB       ARG  60  10.511  -9.536 -12.152
   44   1HG   ARG  60          2HG       ARG  60   8.463 -10.423 -14.199
   45   2HG   ARG  60          3HG       ARG  60   9.328  -8.921 -14.457
   46   1HD   ARG  60          2HD       ARG  60  11.402 -10.623 -13.749
   47   2HD   ARG  60          3HD       ARG  60  10.327 -11.724 -14.588
   48    HE   ARG  60           HE       ARG  60  10.475  -9.402 -16.191
   49   1HH1  ARG  60          1HH1      ARG  60  13.289 -10.249 -18.074
   50   2HH1  ARG  60          2HH1      ARG  60  11.884  -9.241 -17.984
   51   1HH2  ARG  60          1HH2      ARG  60  13.741 -11.764 -16.375
   52   2HH2  ARG  60          2HH2      ARG  60  12.673 -11.886 -15.017
   53    H    CYS  61           HN       CYS  61  10.152  -9.561  -9.849
   54    HA   CYS  61           HA       CYS  61  12.082 -11.624  -9.366
   55   1HB   CYS  61          2HB       CYS  61  13.076 -10.026  -7.792
   56   2HB   CYS  61          3HB       CYS  61  12.797  -9.292  -9.359
   57    H    LYS  62           HN       LYS  62   9.110 -10.250  -7.926
   58    HA   LYS  62           HA       LYS  62   7.855 -10.850  -6.212
   59   1HB   LYS  62          2HB       LYS  62   8.727 -13.292  -7.465
   60   2HB   LYS  62          3HB       LYS  62   8.549 -13.561  -5.743
   61   1HG   LYS  62          2HG       LYS  62   6.260 -12.402  -5.907
   62   2HG   LYS  62          3HG       LYS  62   6.448 -12.439  -7.649
   63   1HD   LYS  62          2HD       LYS  62   6.976 -15.039  -7.186
   64   2HD   LYS  62          3HD       LYS  62   6.045 -14.733  -5.733
   65   1HE   LYS  62          2HE       LYS  62   4.297 -15.288  -7.151
   66   2HE   LYS  62          3HE       LYS  62   4.356 -13.566  -7.474
   67   1HZ   LYS  62          1HZ       LYS  62   5.658 -15.666  -9.063
   68   2HZ   LYS  62          2HZ       LYS  62   4.369 -14.766  -9.508
   69   3HZ   LYS  62          3HZ       LYS  62   5.835 -14.065  -9.337
   70    H    LYS  63           HN       LYS  63  10.320  -9.543  -5.618
   71    HA   LYS  63           HA       LYS  63  10.802 -10.696  -2.966
   72   1HB   LYS  63          2HB       LYS  63  12.857  -9.723  -4.961
   73   2HB   LYS  63          3HB       LYS  63  13.194  -9.843  -3.246
   74   1HG   LYS  63          2HG       LYS  63  12.291 -12.299  -3.450
   75   2HG   LYS  63          3HG       LYS  63  12.487 -12.081  -5.178
   76   1HD   LYS  63          2HD       LYS  63  14.608 -12.866  -4.741
   77   2HD   LYS  63          3HD       LYS  63  14.920 -11.178  -4.388
   78   1HE   LYS  63          2HE       LYS  63  15.582 -11.856  -2.319
   79   2HE   LYS  63          3HE       LYS  63  13.888 -12.129  -1.965
   80   1HZ   LYS  63          1HZ       LYS  63  15.944 -14.034  -2.556
   81   2HZ   LYS  63          2HZ       LYS  63  14.597 -14.202  -1.649
   82   3HZ   LYS  63          3HZ       LYS  63  14.510 -14.346  -3.273
   83    H    GLY  64           HN       GLY  64   9.139  -8.431  -4.413
   84   1HA   GLY  64          1HA       GLY  64   9.082  -6.640  -2.294
   85   2HA   GLY  64          2HA       GLY  64  10.196  -5.974  -3.472
   86    H    TYR  65           HN       TYR  65   7.877  -4.564  -2.917
   87    HA   TYR  65           HA       TYR  65   5.997  -5.249  -5.046
   88   1HB   TYR  65          2HB       TYR  65   6.125  -3.376  -2.616
   89   2HB   TYR  65          3HB       TYR  65   4.839  -3.207  -3.794
   90    HD1  TYR  65           HD1      TYR  65   6.185  -5.261  -1.074
   91    HD2  TYR  65           HD2      TYR  65   3.099  -4.939  -4.020
   92    HE1  TYR  65           HE1      TYR  65   4.836  -7.047   0.133
   93    HE2  TYR  65           HE2      TYR  65   1.761  -6.726  -2.803
   94    HH   TYR  65           HH       TYR  65   1.577  -7.622  -0.565
   95    H    HIS  66           HN       HIS  66   6.406  -4.392  -7.023
   96    HA   HIS  66           HA       HIS  66   6.535  -1.657  -7.410
   97   1HB   HIS  66          2HB       HIS  66   8.850  -1.340  -8.139
   98   2HB   HIS  66          3HB       HIS  66   8.745  -1.721  -6.432
   99    HD1  HIS  66           HD1      HIS  66  10.504  -3.322  -5.704
  100    HD2  HIS  66           HD2      HIS  66   9.333  -3.987  -9.676
  101    HE1  HIS  66           HE1      HIS  66  11.933  -5.257  -6.556
  102    H    TRP  67           HN       TRP  67   6.819  -1.123  -9.758
  103    HA   TRP  67           HA       TRP  67   5.702  -3.250 -11.325
  104   1HB   TRP  67          2HB       TRP  67   6.377  -0.363 -11.874
  105   2HB   TRP  67          3HB       TRP  67   5.807  -1.449 -13.127
  106    HD1  TRP  67           HD1      TRP  67   4.553   0.357  -9.967
  107    HE1  TRP  67           HE1      TRP  67   1.918   0.344  -9.836
  108    HE3  TRP  67           HE3      TRP  67   3.851  -2.810 -13.882
  109    HZ2  TRP  67           HZ2      TRP  67  -0.119  -0.960 -11.351
  110    HZ3  TRP  67           HZ3      TRP  67   1.508  -3.402 -14.491
  111    HH2  TRP  67           HH2      TRP  67  -0.439  -2.532 -13.296
  112    H    LYS  68           HN       LYS  68   6.716  -4.286 -13.120
  113    HA   LYS  68           HA       LYS  68   9.378  -4.903 -12.839
  114   1HB   LYS  68          2HB       LYS  68   7.974  -6.374 -14.044
  115   2HB   LYS  68          3HB       LYS  68   7.454  -5.123 -15.155
  116   1HG   LYS  68          2HG       LYS  68  10.334  -5.261 -15.280
  117   2HG   LYS  68          3HG       LYS  68   9.719  -6.898 -15.392
  118   1HD   LYS  68          2HD       LYS  68   8.311  -4.808 -17.033
  119   2HD   LYS  68          3HD       LYS  68   9.925  -5.258 -17.546
  120   1HE   LYS  68          2HE       LYS  68   8.383  -6.727 -18.699
  121   2HE   LYS  68          3HE       LYS  68   9.202  -7.696 -17.490
  122   1HZ   LYS  68          1HZ       LYS  68   7.293  -8.056 -16.473
  123   2HZ   LYS  68          2HZ       LYS  68   6.880  -6.477 -16.442
  124   3HZ   LYS  68          3HZ       LYS  68   6.524  -7.388 -17.750
  125    H    SER  69           HN       SER  69   7.795  -2.288 -14.719
  126    HA   SER  69           HA       SER  69  10.002  -1.546 -16.185
  127   1HB   SER  69          2HB       SER  69   7.829  -0.666 -16.743
  128   2HB   SER  69          3HB       SER  69   7.611   0.018 -15.145
  129    HG   SER  69           HG       SER  69   8.288   1.794 -16.195
  130    H    GLU  70           HN       GLU  70   9.044  -0.884 -12.810
  131    HA   GLU  70           HA       GLU  70  11.314   0.908 -12.559
  132   1HB   GLU  70          2HB       GLU  70  10.224   1.910 -10.781
  133   2HB   GLU  70          3HB       GLU  70   8.832   1.329 -11.673
  134   1HG   GLU  70          2HG       GLU  70   8.795  -0.741 -10.261
  135   2HG   GLU  70          3HG       GLU  70  10.181  -0.152  -9.365
  136    H    CYS  71           HN       CYS  71  10.636  -2.356 -12.358
  137    HA   CYS  71           HA       CYS  71  11.712  -3.101  -9.911
  138   1HB   CYS  71          2HB       CYS  71  10.478  -4.718 -11.141
  139   2HB   CYS  71          3HB       CYS  71  11.484  -4.536 -12.564
  140    H    LYS  72           HN       LYS  72  13.761  -2.697  -9.160
  141    HA   LYS  72           HA       LYS  72  15.895  -2.537 -11.174
  142   1HB   LYS  72          2HB       LYS  72  17.025  -0.962  -9.696
  143   2HB   LYS  72          3HB       LYS  72  15.436  -0.372 -10.141
  144   1HG   LYS  72          2HG       LYS  72  14.959  -0.151  -7.937
  145   2HG   LYS  72          3HG       LYS  72  14.994  -1.897  -7.796
  146   1HD   LYS  72          2HD       LYS  72  17.723  -1.098  -7.827
  147   2HD   LYS  72          3HD       LYS  72  16.916   0.071  -6.801
  148   1HE   LYS  72          2HE       LYS  72  15.790  -2.384  -6.007
  149   2HE   LYS  72          3HE       LYS  72  17.471  -2.783  -6.302
  150   1HZ   LYS  72          1HZ       LYS  72  17.950  -1.810  -4.406
  151   2HZ   LYS  72          2HZ       LYS  72  17.409  -0.371  -4.955
  152   3HZ   LYS  72          3HZ       LYS  72  16.394  -1.376  -4.164
  153    H    SER  73           HN       SER  73  14.595  -4.819  -9.466
  154    HA   SER  73           HA       SER  73  16.335  -5.581  -7.509
  155   1HB   SER  73          2HB       SER  73  14.141  -6.718  -8.951
  156   2HB   SER  73          3HB       SER  73  15.426  -7.909  -8.982
  157    HG   SER  73           HG       SER  73  15.561  -7.781  -6.660
  158    H    LYS  74           HN       LYS  74  17.560  -7.964  -7.918
  159    HA   LYS  74           HA       LYS  74  19.472  -7.359 -10.061
  160   1HB   LYS  74          2HB       LYS  74  19.764  -8.242  -7.256
  161   2HB   LYS  74          3HB       LYS  74  20.763  -9.113  -8.403
  162   1HG   LYS  74          2HG       LYS  74  21.782  -7.064  -9.214
  163   2HG   LYS  74          3HG       LYS  74  20.608  -6.068  -8.377
  164   1HD   LYS  74          2HD       LYS  74  21.630  -6.339  -6.308
  165   2HD   LYS  74          3HD       LYS  74  22.178  -7.964  -6.665
  166   1HE   LYS  74          2HE       LYS  74  23.923  -7.040  -8.205
  167   2HE   LYS  74          3HE       LYS  74  23.374  -5.414  -7.853
  168   1HZ   LYS  74          1HZ       LYS  74  24.971  -5.614  -6.308
  169   2HZ   LYS  74          2HZ       LYS  74  23.769  -6.273  -5.420
  170   3HZ   LYS  74          3HZ       LYS  74  24.849  -7.237  -6.174
  171    H    PHE  75           HN       PHE  75  17.831 -10.066  -8.286
  172    HA   PHE  75           HA       PHE  75  17.900 -11.533 -10.825
  173   1HB   PHE  75          2HB       PHE  75  18.646 -12.249  -7.967
  174   2HB   PHE  75          3HB       PHE  75  17.911 -13.510  -8.937
  175    HD1  PHE  75           HD1      PHE  75  20.564 -10.913  -9.414
  176    HD2  PHE  75           HD2      PHE  75  19.393 -14.960  -9.920
  177    HE1  PHE  75           HE1      PHE  75  22.799 -11.433 -10.432
  178    HE2  PHE  75           HE2      PHE  75  21.627 -15.480 -10.938
  179    HZ   PHE  75           HZ       PHE  75  23.303 -13.710 -11.183
  180    H    ASP  76           HN       ASP  76  16.004 -12.611 -11.399
  181    HA   ASP  76           HA       ASP  76  13.862 -12.418  -9.432
  182   1HB   ASP  76          2HB       ASP  76  12.289 -11.998 -11.317
  183   2HB   ASP  76          3HB       ASP  76  13.494 -10.733 -11.181
  184    H    LYS  77           HN       LYS  77  11.871 -13.868 -10.680
  185    HA   LYS  77           HA       LYS  77  12.380 -16.445 -10.293
  186   1HB   LYS  77          2HB       LYS  77  10.265 -15.040 -11.227
  187   2HB   LYS  77          3HB       LYS  77  10.710 -15.895 -12.690
  188   1HG   LYS  77          2HG       LYS  77  10.795 -17.662 -10.335
  189   2HG   LYS  77          3HG       LYS  77   9.216 -16.929 -10.535
  190   1HD   LYS  77          2HD       LYS  77  10.480 -17.974 -13.040
  191   2HD   LYS  77          3HD       LYS  77  10.024 -19.187 -11.861
  192   1HE   LYS  77          2HE       LYS  77   8.009 -17.032 -12.471
  193   2HE   LYS  77          3HE       LYS  77   8.284 -18.245 -13.705
  194   1HZ   LYS  77          1HZ       LYS  77   8.066 -19.466 -11.192
  195   2HZ   LYS  77          2HZ       LYS  77   6.768 -18.507 -11.442
  196   3HZ   LYS  77          3HZ       LYS  77   7.137 -19.680 -12.517
  197    H    ASP  78           HN       ASP  78  12.999 -18.307 -11.552
  198    HA   ASP  78           HA       ASP  78  14.260 -19.409 -12.927
  199   1HB   ASP  78          2HB       ASP  78  12.983 -18.713 -14.809
  200   2HB   ASP  78          3HB       ASP  78  13.543 -17.056 -14.696
  201    H    GLY  79           HN       GLY  79  15.218 -16.884 -11.230
  202   1HA   GLY  79          1HA       GLY  79  17.167 -15.898 -10.707
  203   2HA   GLY  79          2HA       GLY  79  17.962 -17.243 -11.502
  204    H    ASN  80           HN       ASN  80  15.746 -14.755 -12.924
  205    HA   ASN  80           HA       ASN  80  17.664 -14.336 -14.994
  206   1HB   ASN  80          2HB       ASN  80  14.833 -13.434 -14.410
  207   2HB   ASN  80          3HB       ASN  80  15.765 -12.501 -15.563
  208   1HD2  ASN  80          1HD2      ASN  80  13.816 -15.175 -15.075
  209   2HD2  ASN  80          2HD2      ASN  80  14.064 -16.020 -16.566
  210    HA   PRO  81           HA       PRO  81  19.312 -10.769 -13.016
  211   1HB   PRO  81          2HB       PRO  81  20.812  -9.768 -15.070
  212   2HB   PRO  81          3HB       PRO  81  21.362 -11.062 -14.024
  213   1HG   PRO  81          2HG       PRO  81  20.392 -11.219 -16.812
  214   2HG   PRO  81          3HG       PRO  81  21.327 -12.393 -15.908
  215   1HD   PRO  81          2HD       PRO  81  18.523 -12.520 -16.498
  216   2HD   PRO  81          3HD       PRO  81  19.435 -13.632 -15.497
  217    H    LEU  82           HN       LEU  82  17.623  -9.474 -12.437
  218    HA   LEU  82           HA       LEU  82  15.866  -8.278 -14.060
  219   1HB   LEU  82          2HB       LEU  82  17.143  -7.480 -11.487
  220   2HB   LEU  82          3HB       LEU  82  16.131  -6.307 -12.305
  221    HG   LEU  82           HG       LEU  82  14.694  -7.354 -10.798
  222   1HD1  LEU  82          1HD1      LEU  82  14.168  -9.053 -13.233
  223   2HD1  LEU  82          2HD1      LEU  82  13.007  -8.301 -12.112
  224   3HD1  LEU  82          3HD1      LEU  82  13.930  -7.289 -13.248
  225   1HD2  LEU  82          1HD2      LEU  82  15.390 -10.149 -11.640
  226   2HD2  LEU  82          2HD2      LEU  82  16.421  -9.287 -10.472
  227   3HD2  LEU  82          3HD2      LEU  82  14.699  -9.555 -10.111
  228    HA   PRO  83           HA       PRO  83  17.906  -5.368 -16.506
  229   1HB   PRO  83          2HB       PRO  83  16.006  -3.439 -16.875
  230   2HB   PRO  83          3HB       PRO  83  16.016  -4.955 -17.755
  231   1HG   PRO  83          2HG       PRO  83  14.266  -4.119 -15.524
  232   2HG   PRO  83          3HG       PRO  83  14.030  -5.417 -16.678
  233   1HD   PRO  83          2HD       PRO  83  14.876  -5.679 -13.950
  234   2HD   PRO  83          3HD       PRO  83  14.752  -6.962 -15.136
  235    HA   PRO  84           HA       PRO  84  19.685  -2.208 -14.306
  236   1HB   PRO  84          2HB       PRO  84  20.514  -0.447 -16.224
  237   2HB   PRO  84          3HB       PRO  84  21.385  -1.915 -15.831
  238   1HG   PRO  84          2HG       PRO  84  19.688  -1.341 -18.182
  239   2HG   PRO  84          3HG       PRO  84  20.886  -2.604 -17.974
  240   1HD   PRO  84          2HD       PRO  84  18.036  -2.905 -17.857
  241   2HD   PRO  84          3HD       PRO  84  19.234  -4.142 -17.535
  Start of MODEL   16
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.162  -3.749  -2.557
    9   1HB   PRO  55          2HB       PRO  55  -1.140  -3.685  -4.028
   10   2HB   PRO  55          3HB       PRO  55  -1.116  -3.958  -2.297
   11   1HG   PRO  55          2HG       PRO  55  -1.889  -1.519  -3.778
   12   2HG   PRO  55          3HG       PRO  55  -2.253  -1.959  -2.121
   13   1HD   PRO  55          2HD       PRO  55  -0.281  -0.071  -3.003
   14   2HD   PRO  55          3HD       PRO  55  -0.566  -0.596  -1.356
   15    H    GLY  56           HN       GLY  56   2.027  -4.933  -4.202
   16   1HA   GLY  56          1HA       GLY  56   2.020  -4.983  -6.707
   17   2HA   GLY  56          2HA       GLY  56   2.548  -3.314  -6.622
   18    H    LEU  57           HN       LEU  57   3.436  -6.389  -4.880
   19    HA   LEU  57           HA       LEU  57   6.118  -5.654  -4.586
   20   1HB   LEU  57          2HB       LEU  57   4.890  -7.294  -3.208
   21   2HB   LEU  57          3HB       LEU  57   4.860  -8.401  -4.566
   22    HG   LEU  57           HG       LEU  57   7.319  -8.529  -4.536
   23   1HD1  LEU  57          1HD1      LEU  57   7.094  -6.186  -2.926
   24   2HD1  LEU  57          2HD1      LEU  57   7.909  -7.447  -1.971
   25   3HD1  LEU  57          3HD1      LEU  57   8.558  -6.974  -3.560
   26   1HD2  LEU  57          1HD2      LEU  57   5.572  -9.391  -2.332
   27   2HD2  LEU  57          2HD2      LEU  57   6.708 -10.321  -3.338
   28   3HD2  LEU  57          3HD2      LEU  57   7.309  -9.394  -1.942
   29    H    CYS  58           HN       CYS  58   8.003  -6.214  -5.740
   30    HA   CYS  58           HA       CYS  58   7.471  -6.724  -8.537
   31   1HB   CYS  58          2HB       CYS  58   8.940  -4.839  -7.895
   32   2HB   CYS  58          3HB       CYS  58  10.056  -5.959  -7.140
   33    HA   PRO  59           HA       PRO  59   8.574 -10.914  -7.643
   34   1HB   PRO  59          2HB       PRO  59   7.688 -11.995  -9.992
   35   2HB   PRO  59          3HB       PRO  59   6.655 -11.759  -8.596
   36   1HG   PRO  59          2HG       PRO  59   6.763 -10.201 -11.106
   37   2HG   PRO  59          3HG       PRO  59   5.489 -10.260  -9.904
   38   1HD   PRO  59          2HD       PRO  59   7.411  -8.161 -10.266
   39   2HD   PRO  59          3HD       PRO  59   6.211  -8.276  -8.994
   40    H    ARG  60           HN       ARG  60   9.958  -8.710  -9.593
   41    HA   ARG  60           HA       ARG  60  11.695 -10.619 -10.855
   42   1HB   ARG  60          2HB       ARG  60  10.879  -7.862 -11.331
   43   2HB   ARG  60          3HB       ARG  60  12.629  -7.938 -11.275
   44   1HG   ARG  60          2HG       ARG  60  11.602 -10.203 -12.797
   45   2HG   ARG  60          3HG       ARG  60  10.922  -8.717 -13.428
   46   1HD   ARG  60          2HD       ARG  60  13.578  -7.992 -13.051
   47   2HD   ARG  60          3HD       ARG  60  13.735  -9.681 -13.491
   48    HE   ARG  60           HE       ARG  60  11.919  -8.123 -15.214
   49   1HH1  ARG  60          1HH1      ARG  60  14.098  -8.351 -17.930
   50   2HH1  ARG  60          2HH1      ARG  60  12.504  -7.912 -17.413
   51   1HH2  ARG  60          1HH2      ARG  60  15.638  -9.153 -16.390
   52   2HH2  ARG  60          2HH2      ARG  60  15.194  -9.312 -14.724
   53    H    CYS  61           HN       CYS  61  12.196  -7.525  -8.985
   54    HA   CYS  61           HA       CYS  61  14.784  -8.433  -8.165
   55   1HB   CYS  61          2HB       CYS  61  14.933  -6.252  -7.024
   56   2HB   CYS  61          3HB       CYS  61  14.485  -6.087  -8.710
   57    H    LYS  62           HN       LYS  62  11.484  -7.965  -6.804
   58    HA   LYS  62           HA       LYS  62  10.534  -8.643  -4.931
   59   1HB   LYS  62          2HB       LYS  62  12.560 -10.754  -5.457
   60   2HB   LYS  62          3HB       LYS  62  11.865 -10.734  -3.849
   61   1HG   LYS  62          2HG       LYS  62   9.552 -10.611  -4.970
   62   2HG   LYS  62          3HG       LYS  62  10.359 -10.916  -6.496
   63   1HD   LYS  62          2HD       LYS  62  11.343 -13.031  -5.488
   64   2HD   LYS  62          3HD       LYS  62  10.390 -12.741  -4.046
   65   1HE   LYS  62          2HE       LYS  62   8.297 -12.771  -5.466
   66   2HE   LYS  62          3HE       LYS  62   9.281 -13.158  -6.864
   67   1HZ   LYS  62          1HZ       LYS  62   9.033 -14.785  -4.431
   68   2HZ   LYS  62          2HZ       LYS  62   8.420 -15.139  -5.902
   69   3HZ   LYS  62          3HZ       LYS  62  10.036 -15.132  -5.671
   70    H    LYS  63           HN       LYS  63  12.463  -6.454  -4.872
   71    HA   LYS  63           HA       LYS  63  13.238  -6.693  -2.052
   72   1HB   LYS  63          2HB       LYS  63  14.868  -5.817  -4.405
   73   2HB   LYS  63          3HB       LYS  63  15.110  -4.996  -2.877
   74   1HG   LYS  63          2HG       LYS  63  15.020  -8.018  -2.889
   75   2HG   LYS  63          3HG       LYS  63  16.466  -7.224  -3.478
   76   1HD   LYS  63          2HD       LYS  63  15.379  -6.182  -0.889
   77   2HD   LYS  63          3HD       LYS  63  16.027  -7.810  -0.840
   78   1HE   LYS  63          2HE       LYS  63  18.198  -7.082  -1.612
   79   2HE   LYS  63          3HE       LYS  63  17.585  -5.514  -2.099
   80   1HZ   LYS  63          1HZ       LYS  63  18.578  -6.249   0.372
   81   2HZ   LYS  63          2HZ       LYS  63  18.003  -4.789  -0.081
   82   3HZ   LYS  63          3HZ       LYS  63  17.000  -5.890   0.590
   83    H    GLY  64           HN       GLY  64  10.775  -5.686  -3.497
   84   1HA   GLY  64          1HA       GLY  64  10.140  -3.533  -1.952
   85   2HA   GLY  64          2HA       GLY  64  10.896  -2.820  -3.363
   86    H    TYR  65           HN       TYR  65   8.463  -1.976  -3.318
   87    HA   TYR  65           HA       TYR  65   6.847  -3.875  -4.882
   88   1HB   TYR  65          2HB       TYR  65   6.298  -1.550  -2.951
   89   2HB   TYR  65          3HB       TYR  65   5.036  -2.127  -4.021
   90    HD1  TYR  65           HD1      TYR  65   7.160  -2.997  -1.127
   91    HD2  TYR  65           HD2      TYR  65   3.902  -4.226  -3.613
   92    HE1  TYR  65           HE1      TYR  65   6.541  -4.795   0.560
   93    HE2  TYR  65           HE2      TYR  65   3.294  -6.019  -1.917
   94    HH   TYR  65           HH       TYR  65   3.905  -6.071   0.945
   95    H    HIS  66           HN       HIS  66   6.754  -3.417  -7.019
   96    HA   HIS  66           HA       HIS  66   5.988  -0.948  -7.982
   97   1HB   HIS  66          2HB       HIS  66   8.068  -0.179  -9.082
   98   2HB   HIS  66          3HB       HIS  66   8.113  -0.056  -7.335
   99    HD1  HIS  66           HD1      HIS  66  10.337  -0.707  -6.434
  100    HD2  HIS  66           HD2      HIS  66   9.309  -2.950  -9.827
  101    HE1  HIS  66           HE1      HIS  66  12.285  -2.301  -6.855
  102    H    TRP  67           HN       TRP  67   5.984  -0.922 -10.414
  103    HA   TRP  67           HA       TRP  67   5.417  -3.543 -11.359
  104   1HB   TRP  67          2HB       TRP  67   5.397  -0.795 -12.581
  105   2HB   TRP  67          3HB       TRP  67   5.154  -2.227 -13.562
  106    HD1  TRP  67           HD1      TRP  67   3.437  -0.296 -10.675
  107    HE1  TRP  67           HE1      TRP  67   0.871  -0.894 -10.532
  108    HE3  TRP  67           HE3      TRP  67   3.567  -3.988 -14.169
  109    HZ2  TRP  67           HZ2      TRP  67  -0.779  -2.802 -11.867
  110    HZ3  TRP  67           HZ3      TRP  67   1.435  -5.168 -14.691
  111    HH2  TRP  67           HH2      TRP  67  -0.687  -4.629 -13.604
  112    H    LYS  68           HN       LYS  68   6.554  -4.691 -13.056
  113    HA   LYS  68           HA       LYS  68   9.268  -4.812 -12.778
  114   1HB   LYS  68          2HB       LYS  68   7.520  -5.600 -15.126
  115   2HB   LYS  68          3HB       LYS  68   9.204  -6.055 -14.962
  116   1HG   LYS  68          2HG       LYS  68   8.786  -7.377 -13.011
  117   2HG   LYS  68          3HG       LYS  68   7.231  -6.621 -12.721
  118   1HD   LYS  68          2HD       LYS  68   6.457  -7.628 -14.964
  119   2HD   LYS  68          3HD       LYS  68   7.946  -8.552 -14.972
  120   1HE   LYS  68          2HE       LYS  68   7.314  -9.862 -13.122
  121   2HE   LYS  68          3HE       LYS  68   6.237  -8.636 -12.483
  122   1HZ   LYS  68          1HZ       LYS  68   5.551  -9.698 -15.072
  123   2HZ   LYS  68          2HZ       LYS  68   5.390 -10.726 -13.812
  124   3HZ   LYS  68          3HZ       LYS  68   4.583  -9.306 -13.816
  125    H    SER  69           HN       SER  69   7.374  -3.055 -15.325
  126    HA   SER  69           HA       SER  69   9.644  -2.038 -16.567
  127   1HB   SER  69          2HB       SER  69   7.975  -0.366 -17.552
  128   2HB   SER  69          3HB       SER  69   7.604  -2.059 -17.808
  129    HG   SER  69           HG       SER  69   5.682  -1.265 -17.084
  130    H    GLU  70           HN       GLU  70   7.846  -1.123 -13.676
  131    HA   GLU  70           HA       GLU  70   8.960   1.521 -13.659
  132   1HB   GLU  70          2HB       GLU  70   7.087  -0.025 -11.846
  133   2HB   GLU  70          3HB       GLU  70   7.798   1.480 -11.299
  134   1HG   GLU  70          2HG       GLU  70   6.767   1.778 -14.021
  135   2HG   GLU  70          3HG       GLU  70   5.513   1.164 -12.961
  136    H    CYS  71           HN       CYS  71   9.976  -1.628 -12.828
  137    HA   CYS  71           HA       CYS  71  11.226  -1.375 -10.427
  138   1HB   CYS  71          2HB       CYS  71  11.075  -3.471 -11.728
  139   2HB   CYS  71          3HB       CYS  71  12.257  -2.859 -12.868
  140    H    LYS  72           HN       LYS  72  12.743   0.071  -9.692
  141    HA   LYS  72           HA       LYS  72  14.453   1.330 -11.723
  142   1HB   LYS  72          2HB       LYS  72  12.676   2.540  -9.984
  143   2HB   LYS  72          3HB       LYS  72  14.201   2.701  -9.137
  144   1HG   LYS  72          2HG       LYS  72  15.049   3.388 -11.624
  145   2HG   LYS  72          3HG       LYS  72  13.366   3.850 -11.787
  146   1HD   LYS  72          2HD       LYS  72  14.393   5.817 -10.955
  147   2HD   LYS  72          3HD       LYS  72  13.665   5.108  -9.527
  148   1HE   LYS  72          2HE       LYS  72  15.837   5.602  -8.766
  149   2HE   LYS  72          3HE       LYS  72  15.987   3.911  -9.204
  150   1HZ   LYS  72          1HZ       LYS  72  17.072   6.233 -10.521
  151   2HZ   LYS  72          2HZ       LYS  72  17.704   4.736 -10.357
  152   3HZ   LYS  72          3HZ       LYS  72  16.574   5.024 -11.500
  153    H    SER  73           HN       SER  73  14.555  -1.249  -9.849
  154    HA   SER  73           HA       SER  73  16.753  -0.679  -8.176
  155   1HB   SER  73          2HB       SER  73  15.207  -3.120  -8.999
  156   2HB   SER  73          3HB       SER  73  16.807  -3.379  -8.333
  157    HG   SER  73           HG       SER  73  15.856  -3.180  -6.428
  158    H    LYS  74           HN       LYS  74  18.938  -1.750  -8.401
  159    HA   LYS  74           HA       LYS  74  19.810  -1.520 -11.154
  160   1HB   LYS  74          2HB       LYS  74  22.014  -1.351 -10.263
  161   2HB   LYS  74          3HB       LYS  74  20.972  -0.344  -9.278
  162   1HG   LYS  74          2HG       LYS  74  20.749  -2.622  -7.842
  163   2HG   LYS  74          3HG       LYS  74  22.301  -2.958  -8.584
  164   1HD   LYS  74          2HD       LYS  74  22.754  -1.830  -6.494
  165   2HD   LYS  74          3HD       LYS  74  23.112  -0.688  -7.774
  166   1HE   LYS  74          2HE       LYS  74  20.428  -0.166  -7.328
  167   2HE   LYS  74          3HE       LYS  74  20.957  -0.613  -5.718
  168   1HZ   LYS  74          1HZ       LYS  74  22.555   1.067  -5.741
  169   2HZ   LYS  74          2HZ       LYS  74  22.432   1.324  -7.349
  170   3HZ   LYS  74          3HZ       LYS  74  21.216   1.770  -6.355
  171    H    PHE  75           HN       PHE  75  19.386  -3.943  -8.563
  172    HA   PHE  75           HA       PHE  75  20.030  -5.982 -10.568
  173   1HB   PHE  75          2HB       PHE  75  20.789  -5.679  -7.612
  174   2HB   PHE  75          3HB       PHE  75  20.816  -7.254  -8.380
  175    HD1  PHE  75           HD1      PHE  75  22.854  -4.699  -7.411
  176    HD2  PHE  75           HD2      PHE  75  22.077  -7.080 -10.836
  177    HE1  PHE  75           HE1      PHE  75  25.177  -4.253  -8.248
  178    HE2  PHE  75           HE2      PHE  75  24.400  -6.634 -11.674
  179    HZ   PHE  75           HZ       PHE  75  25.923  -5.225 -10.370
  180    H    ASP  76           HN       ASP  76  19.001  -8.132 -10.089
  181    HA   ASP  76           HA       ASP  76  16.637  -7.805  -8.427
  182   1HB   ASP  76          2HB       ASP  76  15.372  -9.147 -10.177
  183   2HB   ASP  76          3HB       ASP  76  15.810  -7.524 -10.673
  184    H    LYS  77           HN       LYS  77  15.528 -10.318  -8.583
  185    HA   LYS  77           HA       LYS  77  16.920 -11.925  -6.988
  186   1HB   LYS  77          2HB       LYS  77  14.576 -12.241  -7.809
  187   2HB   LYS  77          3HB       LYS  77  15.217 -12.921  -9.290
  188   1HG   LYS  77          2HG       LYS  77  14.852 -14.849  -7.994
  189   2HG   LYS  77          3HG       LYS  77  16.555 -14.545  -7.714
  190   1HD   LYS  77          2HD       LYS  77  15.799 -13.159  -5.644
  191   2HD   LYS  77          3HD       LYS  77  14.222 -13.889  -5.870
  192   1HE   LYS  77          2HE       LYS  77  14.965 -16.032  -5.292
  193   2HE   LYS  77          3HE       LYS  77  16.602 -15.736  -5.844
  194   1HZ   LYS  77          1HZ       LYS  77  15.355 -14.862  -3.353
  195   2HZ   LYS  77          2HZ       LYS  77  16.748 -15.689  -3.564
  196   3HZ   LYS  77          3HZ       LYS  77  16.680 -14.098  -3.926
  197    H    ASP  78           HN       ASP  78  18.314 -13.797  -7.204
  198    HA   ASP  78           HA       ASP  78  20.045 -14.865  -7.952
  199   1HB   ASP  78          2HB       ASP  78  18.865 -15.702  -9.833
  200   2HB   ASP  78          3HB       ASP  78  18.744 -14.123 -10.582
  201    H    GLY  79           HN       GLY  79  19.795 -11.679  -7.814
  202   1HA   GLY  79          1HA       GLY  79  21.188  -9.923  -7.970
  203   2HA   GLY  79          2HA       GLY  79  22.504 -11.075  -8.074
  204    H    ASN  80           HN       ASN  80  19.735 -10.693 -10.365
  205    HA   ASN  80           HA       ASN  80  21.598 -10.591 -12.510
  206   1HB   ASN  80          2HB       ASN  80  18.583 -10.660 -12.225
  207   2HB   ASN  80          3HB       ASN  80  19.250 -10.137 -13.759
  208   1HD2  ASN  80          1HD2      ASN  80  18.334 -12.736 -11.875
  209   2HD2  ASN  80          2HD2      ASN  80  19.060 -14.038 -12.757
  210    HA   PRO  81           HA       PRO  81  21.525  -6.220 -12.882
  211   1HB   PRO  81          2HB       PRO  81  22.223  -5.881 -15.502
  212   2HB   PRO  81          3HB       PRO  81  23.387  -6.217 -14.236
  213   1HG   PRO  81          2HG       PRO  81  22.340  -8.033 -16.321
  214   2HG   PRO  81          3HG       PRO  81  23.780  -8.205 -15.338
  215   1HD   PRO  81          2HD       PRO  81  21.289  -9.584 -14.989
  216   2HD   PRO  81          3HD       PRO  81  22.690  -9.669 -13.939
  217    H    LEU  82           HN       LEU  82  19.540  -5.412 -12.428
  218    HA   LEU  82           HA       LEU  82  17.259  -5.876 -13.733
  219   1HB   LEU  82          2HB       LEU  82  18.253  -3.947 -11.932
  220   2HB   LEU  82          3HB       LEU  82  17.420  -3.055 -13.189
  221    HG   LEU  82           HG       LEU  82  15.698  -3.390 -11.733
  222   1HD1  LEU  82          1HD1      LEU  82  14.159  -4.811 -12.704
  223   2HD1  LEU  82          2HD1      LEU  82  15.344  -4.599 -14.015
  224   3HD1  LEU  82          3HD1      LEU  82  15.366  -6.079 -13.026
  225   1HD2  LEU  82          1HD2      LEU  82  17.049  -5.978 -10.971
  226   2HD2  LEU  82          2HD2      LEU  82  16.747  -4.533  -9.975
  227   3HD2  LEU  82          3HD2      LEU  82  15.392  -5.584 -10.453
  228    HA   PRO  83           HA       PRO  83  18.414  -4.463 -17.761
  229   1HB   PRO  83          2HB       PRO  83  16.684  -6.059 -19.149
  230   2HB   PRO  83          3HB       PRO  83  18.312  -6.552 -18.724
  231   1HG   PRO  83          2HG       PRO  83  15.746  -7.395 -17.521
  232   2HG   PRO  83          3HG       PRO  83  17.315  -8.168 -17.414
  233   1HD   PRO  83          2HD       PRO  83  16.037  -6.591 -15.388
  234   2HD   PRO  83          3HD       PRO  83  17.653  -7.266 -15.326
  235    HA   PRO  84           HA       PRO  84  15.375  -1.595 -18.488
  236   1HB   PRO  84          2HB       PRO  84  15.813  -0.895 -21.093
  237   2HB   PRO  84          3HB       PRO  84  16.763  -0.269 -19.760
  238   1HG   PRO  84          2HG       PRO  84  17.503  -2.312 -21.765
  239   2HG   PRO  84          3HG       PRO  84  18.547  -1.378 -20.713
  240   1HD   PRO  84          2HD       PRO  84  17.790  -4.124 -20.381
  241   2HD   PRO  84          3HD       PRO  84  18.739  -3.157 -19.270
  Start of MODEL   17
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.773  -3.172  -3.794
    9   1HB   PRO  55          2HB       PRO  55   3.564  -2.933  -5.844
   10   2HB   PRO  55          3HB       PRO  55   1.931  -2.300  -5.919
   11   1HG   PRO  55          2HG       PRO  55   4.471  -0.835  -5.538
   12   2HG   PRO  55          3HG       PRO  55   2.909  -0.214  -6.034
   13   1HD   PRO  55          2HD       PRO  55   4.106   0.029  -3.439
   14   2HD   PRO  55          3HD       PRO  55   2.498   0.547  -3.904
   15    H    GLY  56           HN       GLY  56   5.159  -2.637  -4.488
   16   1HA   GLY  56          1HA       GLY  56   7.001  -3.721  -3.782
   17   2HA   GLY  56          2HA       GLY  56   6.136  -4.181  -2.329
   18    H    LEU  57           HN       LEU  57   7.272  -5.199  -5.474
   19    HA   LEU  57           HA       LEU  57   5.628  -7.434  -5.843
   20   1HB   LEU  57          2HB       LEU  57   7.018  -6.358  -7.568
   21   2HB   LEU  57          3HB       LEU  57   8.463  -6.939  -6.764
   22    HG   LEU  57           HG       LEU  57   7.645  -9.290  -7.135
   23   1HD1  LEU  57          1HD1      LEU  57   5.230  -8.568  -7.434
   24   2HD1  LEU  57          2HD1      LEU  57   5.682  -8.075  -9.083
   25   3HD1  LEU  57          3HD1      LEU  57   5.849  -9.776  -8.586
   26   1HD2  LEU  57          1HD2      LEU  57   9.157  -9.125  -8.752
   27   2HD2  LEU  57          2HD2      LEU  57   7.836  -8.696  -9.866
   28   3HD2  LEU  57          3HD2      LEU  57   8.754  -7.415  -9.038
   29    H    CYS  58           HN       CYS  58   5.858  -9.622  -5.268
   30    HA   CYS  58           HA       CYS  58   7.423  -9.981  -2.863
   31   1HB   CYS  58          2HB       CYS  58   5.062 -10.697  -2.888
   32   2HB   CYS  58          3HB       CYS  58   5.402 -11.817  -4.193
   33    HA   PRO  59           HA       PRO  59  10.446 -11.865  -5.486
   34   1HB   PRO  59          2HB       PRO  59  12.471 -11.941  -3.652
   35   2HB   PRO  59          3HB       PRO  59  12.155 -10.552  -4.674
   36   1HG   PRO  59          2HG       PRO  59  11.570 -10.909  -1.798
   37   2HG   PRO  59          3HG       PRO  59  11.660  -9.424  -2.725
   38   1HD   PRO  59          2HD       PRO  59   9.277 -10.760  -1.850
   39   2HD   PRO  59          3HD       PRO  59   9.367  -9.340  -2.873
   40    H    ARG  60           HN       ARG  60   8.750 -13.069  -2.944
   41    HA   ARG  60           HA       ARG  60  10.235 -15.508  -2.817
   42   1HB   ARG  60          2HB       ARG  60   8.213 -14.161  -1.222
   43   2HB   ARG  60          3HB       ARG  60   7.651 -15.782  -1.579
   44   1HG   ARG  60          2HG       ARG  60  10.468 -15.252  -0.547
   45   2HG   ARG  60          3HG       ARG  60   9.113 -15.473   0.542
   46   1HD   ARG  60          2HD       ARG  60   9.160 -17.732   0.265
   47   2HD   ARG  60          3HD       ARG  60   9.104 -17.580  -1.480
   48    HE   ARG  60           HE       ARG  60  11.737 -16.886  -0.555
   49   1HH1  ARG  60          1HH1      ARG  60  13.142 -20.036  -1.084
   50   2HH1  ARG  60          2HH1      ARG  60  13.467 -18.356  -0.815
   51   1HH2  ARG  60          1HH2      ARG  60  10.951 -20.793  -1.180
   52   2HH2  ARG  60          2HH2      ARG  60   9.640 -19.679  -0.983
   53    H    CYS  61           HN       CYS  61   6.731 -14.716  -3.460
   54    HA   CYS  61           HA       CYS  61   6.438 -17.160  -4.919
   55   1HB   CYS  61          2HB       CYS  61   4.093 -16.458  -5.182
   56   2HB   CYS  61          3HB       CYS  61   4.610 -16.396  -3.508
   57    H    LYS  62           HN       LYS  62   6.608 -13.607  -5.537
   58    HA   LYS  62           HA       LYS  62   6.999 -12.438  -7.367
   59   1HB   LYS  62          2HB       LYS  62   8.455 -14.934  -7.806
   60   2HB   LYS  62          3HB       LYS  62   7.991 -14.167  -9.312
   61   1HG   LYS  62          2HG       LYS  62   8.854 -11.964  -7.954
   62   2HG   LYS  62          3HG       LYS  62   9.840 -13.180  -7.164
   63   1HD   LYS  62          2HD       LYS  62  10.366 -13.996  -9.624
   64   2HD   LYS  62          3HD       LYS  62   9.784 -12.413 -10.100
   65   1HE   LYS  62          2HE       LYS  62  11.463 -11.308  -8.671
   66   2HE   LYS  62          3HE       LYS  62  11.980 -12.851  -8.021
   67   1HZ   LYS  62          1HZ       LYS  62  12.900 -11.620 -10.288
   68   2HZ   LYS  62          2HZ       LYS  62  13.291 -13.112  -9.752
   69   3HZ   LYS  62          3HZ       LYS  62  12.069 -12.922 -10.818
   70    H    LYS  63           HN       LYS  63   4.374 -13.508  -6.876
   71    HA   LYS  63           HA       LYS  63   3.429 -13.535  -9.644
   72   1HB   LYS  63          2HB       LYS  63   2.847 -15.557  -7.499
   73   2HB   LYS  63          3HB       LYS  63   1.610 -15.171  -8.677
   74   1HG   LYS  63          2HG       LYS  63   4.276 -15.586  -9.900
   75   2HG   LYS  63          3HG       LYS  63   3.692 -16.998  -9.041
   76   1HD   LYS  63          2HD       LYS  63   1.408 -16.214 -10.396
   77   2HD   LYS  63          3HD       LYS  63   2.654 -15.732 -11.529
   78   1HE   LYS  63          2HE       LYS  63   3.069 -17.889 -12.120
   79   2HE   LYS  63          3HE       LYS  63   3.262 -18.378 -10.448
   80   1HZ   LYS  63          1HZ       LYS  63   0.561 -17.860 -11.006
   81   2HZ   LYS  63          2HZ       LYS  63   1.150 -18.936 -12.084
   82   3HZ   LYS  63          3HZ       LYS  63   1.253 -19.244 -10.484
   83    H    GLY  64           HN       GLY  64   3.771 -11.380  -7.665
   84   1HA   GLY  64          1HA       GLY  64   1.535  -9.912  -7.990
   85   2HA   GLY  64          2HA       GLY  64   1.143 -10.865  -6.573
   86    H    TYR  65           HN       TYR  65   1.182  -8.273  -6.018
   87    HA   TYR  65           HA       TYR  65   3.879  -7.684  -5.008
   88   1HB   TYR  65          2HB       TYR  65   1.374  -6.103  -5.808
   89   2HB   TYR  65          3HB       TYR  65   2.601  -5.346  -4.811
   90    HD1  TYR  65           HD1      TYR  65   4.708  -4.626  -5.743
   91    HD2  TYR  65           HD2      TYR  65   1.894  -6.768  -8.151
   92    HE1  TYR  65           HE1      TYR  65   6.013  -4.004  -7.835
   93    HE2  TYR  65           HE2      TYR  65   3.209  -6.139 -10.234
   94    HH   TYR  65           HH       TYR  65   5.105  -5.317 -10.983
   95    H    HIS  66           HN       HIS  66   4.186  -8.061  -2.875
   96    HA   HIS  66           HA       HIS  66   2.539  -7.011  -0.925
   97   1HB   HIS  66          2HB       HIS  66   1.538  -9.062   0.033
   98   2HB   HIS  66          3HB       HIS  66   0.855  -8.606  -1.514
   99    HD1  HIS  66           HD1      HIS  66   0.475 -10.569  -2.994
  100    HD2  HIS  66           HD2      HIS  66   3.806 -11.112  -0.504
  101    HE1  HIS  66           HE1      HIS  66   1.394 -12.889  -3.526
  102    H    TRP  67           HN       TRP  67   3.276  -7.702   1.304
  103    HA   TRP  67           HA       TRP  67   6.106  -8.045   1.242
  104   1HB   TRP  67          2HB       TRP  67   4.095  -7.776   3.476
  105   2HB   TRP  67          3HB       TRP  67   5.813  -7.984   3.753
  106    HD1  TRP  67           HD1      TRP  67   3.307  -5.361   2.474
  107    HE1  TRP  67           HE1      TRP  67   4.404  -2.965   2.346
  108    HE3  TRP  67           HE3      TRP  67   8.054  -6.908   3.435
  109    HZ2  TRP  67           HZ2      TRP  67   7.074  -2.007   2.654
  110    HZ3  TRP  67           HZ3      TRP  67   9.848  -5.178   3.504
  111    HH2  TRP  67           HH2      TRP  67   9.420  -2.801   3.133
  112    H    LYS  68           HN       LYS  68   7.296  -9.838   2.173
  113    HA   LYS  68           HA       LYS  68   6.438 -12.323   1.437
  114   1HB   LYS  68          2HB       LYS  68   8.285 -13.178   2.786
  115   2HB   LYS  68          3HB       LYS  68   8.766 -11.755   1.885
  116   1HG   LYS  68          2HG       LYS  68   8.117 -10.416   4.046
  117   2HG   LYS  68          3HG       LYS  68   8.150 -11.971   4.854
  118   1HD   LYS  68          2HD       LYS  68  10.512 -11.316   3.118
  119   2HD   LYS  68          3HD       LYS  68  10.350 -10.391   4.597
  120   1HE   LYS  68          2HE       LYS  68   9.815 -13.078   5.352
  121   2HE   LYS  68          3HE       LYS  68  11.173 -13.179   4.248
  122   1HZ   LYS  68          1HZ       LYS  68  12.355 -11.622   5.569
  123   2HZ   LYS  68          2HZ       LYS  68  11.067 -11.333   6.530
  124   3HZ   LYS  68          3HZ       LYS  68  11.801 -12.791   6.566
  125    H    SER  69           HN       SER  69   6.281 -10.814   4.733
  126    HA   SER  69           HA       SER  69   5.008 -13.015   5.867
  127   1HB   SER  69          2HB       SER  69   6.155 -11.388   7.260
  128   2HB   SER  69          3HB       SER  69   5.145 -10.081   6.673
  129    HG   SER  69           HG       SER  69   4.356 -12.303   8.348
  130    H    GLU  70           HN       GLU  70   3.899 -10.319   3.888
  131    HA   GLU  70           HA       GLU  70   1.171 -10.670   4.700
  132   1HB   GLU  70          2HB       GLU  70   2.579  -8.849   2.720
  133   2HB   GLU  70          3HB       GLU  70   0.830  -8.940   2.780
  134   1HG   GLU  70          2HG       GLU  70   2.332  -8.525   5.368
  135   2HG   GLU  70          3HG       GLU  70   2.180  -7.168   4.269
  136    H    CYS  71           HN       CYS  71   3.354 -12.223   2.608
  137    HA   CYS  71           HA       CYS  71   1.945 -12.647   0.307
  138   1HB   CYS  71          2HB       CYS  71   4.279 -13.374   0.701
  139   2HB   CYS  71          3HB       CYS  71   3.708 -14.644   1.765
  140    H    LYS  72           HN       LYS  72  -0.073 -13.507  -0.038
  141    HA   LYS  72           HA       LYS  72  -1.105 -15.314   2.034
  142   1HB   LYS  72          2HB       LYS  72  -2.186 -12.981   1.486
  143   2HB   LYS  72          3HB       LYS  72  -2.861 -13.822   0.105
  144   1HG   LYS  72          2HG       LYS  72  -3.326 -15.635   2.168
  145   2HG   LYS  72          3HG       LYS  72  -3.517 -14.097   2.986
  146   1HD   LYS  72          2HD       LYS  72  -5.143 -13.362   1.232
  147   2HD   LYS  72          3HD       LYS  72  -4.948 -14.896   0.406
  148   1HE   LYS  72          2HE       LYS  72  -6.864 -15.328   1.680
  149   2HE   LYS  72          3HE       LYS  72  -5.619 -15.947   2.746
  150   1HZ   LYS  72          1HZ       LYS  72  -7.106 -13.453   2.952
  151   2HZ   LYS  72          2HZ       LYS  72  -6.815 -14.578   4.100
  152   3HZ   LYS  72          3HZ       LYS  72  -5.627 -13.556   3.638
  153    H    SER  73           HN       SER  73   0.574 -15.571  -0.677
  154    HA   SER  73           HA       SER  73  -1.150 -17.069  -2.319
  155   1HB   SER  73          2HB       SER  73   1.864 -16.713  -2.187
  156   2HB   SER  73          3HB       SER  73   1.131 -17.810  -3.341
  157    HG   SER  73           HG       SER  73   1.496 -15.635  -4.197
  158    H    LYS  74           HN       LYS  74  -0.451 -19.459  -2.944
  159    HA   LYS  74           HA       LYS  74  -0.244 -20.907  -0.411
  160   1HB   LYS  74          2HB       LYS  74  -2.009 -21.119  -2.584
  161   2HB   LYS  74          3HB       LYS  74  -0.953 -22.509  -2.730
  162   1HG   LYS  74          2HG       LYS  74  -1.417 -22.540  -0.021
  163   2HG   LYS  74          3HG       LYS  74  -2.921 -21.836  -0.582
  164   1HD   LYS  74          2HD       LYS  74  -3.641 -23.809  -1.475
  165   2HD   LYS  74          3HD       LYS  74  -2.103 -24.115  -2.258
  166   1HE   LYS  74          2HE       LYS  74  -1.149 -25.008  -0.177
  167   2HE   LYS  74          3HE       LYS  74  -2.575 -24.541   0.730
  168   1HZ   LYS  74          1HZ       LYS  74  -2.611 -26.446  -1.506
  169   2HZ   LYS  74          2HZ       LYS  74  -2.554 -26.876   0.068
  170   3HZ   LYS  74          3HZ       LYS  74  -3.859 -26.087  -0.517
  171    H    PHE  75           HN       PHE  75   1.166 -20.567  -3.698
  172    HA   PHE  75           HA       PHE  75   3.433 -22.152  -2.716
  173   1HB   PHE  75          2HB       PHE  75   2.209 -21.901  -5.530
  174   2HB   PHE  75          3HB       PHE  75   3.644 -22.839  -5.164
  175    HD1  PHE  75           HD1      PHE  75   3.385 -24.779  -3.491
  176    HD2  PHE  75           HD2      PHE  75   0.094 -22.880  -5.382
  177    HE1  PHE  75           HE1      PHE  75   1.952 -26.781  -3.007
  178    HE2  PHE  75           HE2      PHE  75  -1.339 -24.883  -4.898
  179    HZ   PHE  75           HZ       PHE  75  -0.393 -26.810  -3.717
  180    H    ASP  76           HN       ASP  76   5.541 -21.585  -3.739
  181    HA   ASP  76           HA       ASP  76   5.512 -18.891  -4.828
  182   1HB   ASP  76          2HB       ASP  76   7.222 -18.140  -3.366
  183   2HB   ASP  76          3HB       ASP  76   6.131 -19.021  -2.316
  184    H    LYS  77           HN       LYS  77   8.181 -18.509  -5.372
  185    HA   LYS  77           HA       LYS  77   8.764 -19.849  -7.590
  186   1HB   LYS  77          2HB       LYS  77  10.522 -18.636  -5.478
  187   2HB   LYS  77          3HB       LYS  77  11.256 -19.463  -6.837
  188   1HG   LYS  77          2HG       LYS  77   9.055 -17.493  -7.435
  189   2HG   LYS  77          3HG       LYS  77  10.604 -16.845  -6.934
  190   1HD   LYS  77          2HD       LYS  77  11.708 -17.605  -8.842
  191   2HD   LYS  77          3HD       LYS  77  10.657 -18.994  -9.035
  192   1HE   LYS  77          2HE       LYS  77   8.781 -17.341  -9.661
  193   2HE   LYS  77          3HE       LYS  77  10.009 -16.091  -9.714
  194   1HZ   LYS  77          1HZ       LYS  77  10.950 -18.252 -11.159
  195   2HZ   LYS  77          2HZ       LYS  77   9.415 -17.989 -11.650
  196   3HZ   LYS  77          3HZ       LYS  77  10.513 -16.783 -11.724
  197    H    ASP  78           HN       ASP  78  10.064 -21.685  -8.221
  198    HA   ASP  78           HA       ASP  78  10.695 -23.756  -8.131
  199   1HB   ASP  78          2HB       ASP  78  12.380 -23.284  -6.523
  200   2HB   ASP  78          3HB       ASP  78  11.215 -22.954  -5.257
  201    H    GLY  79           HN       GLY  79   7.860 -22.686  -7.127
  202   1HA   GLY  79          1HA       GLY  79   5.885 -23.581  -6.543
  203   2HA   GLY  79          2HA       GLY  79   6.539 -25.136  -7.020
  204    H    ASN  80           HN       ASN  80   7.720 -22.945  -4.397
  205    HA   ASN  80           HA       ASN  80   7.671 -25.164  -2.612
  206   1HB   ASN  80          2HB       ASN  80   8.626 -22.291  -2.512
  207   2HB   ASN  80          3HB       ASN  80   8.392 -23.132  -0.992
  208   1HD2  ASN  80          1HD2      ASN  80  10.476 -22.514  -3.522
  209   2HD2  ASN  80          2HD2      ASN  80  11.669 -23.741  -3.258
  210    HA   PRO  81           HA       PRO  81   3.866 -24.031  -0.744
  211   1HB   PRO  81          2HB       PRO  81   4.086 -25.229   1.702
  212   2HB   PRO  81          3HB       PRO  81   3.639 -26.097   0.246
  213   1HG   PRO  81          2HG       PRO  81   6.218 -26.108   1.691
  214   2HG   PRO  81          3HG       PRO  81   5.613 -27.258   0.516
  215   1HD   PRO  81          2HD       PRO  81   7.575 -25.215   0.066
  216   2HD   PRO  81          3HD       PRO  81   6.886 -26.289  -1.135
  217    H    LEU  82           HN       LEU  82   3.597 -21.875  -0.557
  218    HA   LEU  82           HA       LEU  82   5.150 -20.157   0.770
  219   1HB   LEU  82          2HB       LEU  82   2.491 -20.213  -0.233
  220   2HB   LEU  82          3HB       LEU  82   2.444 -19.438   1.338
  221    HG   LEU  82           HG       LEU  82   2.773 -17.639  -0.050
  222   1HD1  LEU  82          1HD1      LEU  82   4.617 -16.749   0.831
  223   2HD1  LEU  82          2HD1      LEU  82   4.904 -18.345   1.565
  224   3HD1  LEU  82          3HD1      LEU  82   5.678 -17.924   0.018
  225   1HD2  LEU  82          1HD2      LEU  82   4.285 -19.550  -1.789
  226   2HD2  LEU  82          2HD2      LEU  82   2.947 -18.446  -2.190
  227   3HD2  LEU  82          3HD2      LEU  82   4.589 -17.804  -1.946
  228    HA   PRO  83           HA       PRO  83   4.831 -21.865   4.836
  229   1HB   PRO  83          2HB       PRO  83   7.248 -20.960   5.734
  230   2HB   PRO  83          3HB       PRO  83   7.040 -22.507   4.938
  231   1HG   PRO  83          2HG       PRO  83   8.207 -20.012   3.864
  232   2HG   PRO  83          3HG       PRO  83   8.370 -21.649   3.261
  233   1HD   PRO  83          2HD       PRO  83   6.707 -19.579   2.178
  234   2HD   PRO  83          3HD       PRO  83   6.784 -21.247   1.646
  235    HA   PRO  84           HA       PRO  84   3.532 -18.513   7.087
  236   1HB   PRO  84          2HB       PRO  84   3.913 -19.265   9.686
  237   2HB   PRO  84          3HB       PRO  84   2.556 -19.809   8.721
  238   1HG   PRO  84          2HG       PRO  84   4.980 -21.301   9.517
  239   2HG   PRO  84          3HG       PRO  84   3.450 -21.924   8.934
  240   1HD   PRO  84          2HD       PRO  84   5.889 -21.696   7.442
  241   2HD   PRO  84          3HD       PRO  84   4.330 -22.209   6.829
  Start of MODEL   18
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.072  -3.630  -2.800
    9   1HB   PRO  55          2HB       PRO  55  -0.733  -3.312  -4.827
   10   2HB   PRO  55          3HB       PRO  55  -1.201  -3.545  -3.154
   11   1HG   PRO  55          2HG       PRO  55  -1.240  -1.065  -4.761
   12   2HG   PRO  55          3HG       PRO  55  -2.080  -1.416  -3.264
   13   1HD   PRO  55          2HD       PRO  55   0.278   0.188  -3.573
   14   2HD   PRO  55          3HD       PRO  55  -0.496  -0.258  -2.066
   15    H    GLY  56           HN       GLY  56   0.738  -4.555  -5.373
   16   1HA   GLY  56          1HA       GLY  56   1.716  -4.449  -7.477
   17   2HA   GLY  56          2HA       GLY  56   2.827  -3.213  -6.921
   18    H    LEU  57           HN       LEU  57   4.437  -4.676  -8.069
   19    HA   LEU  57           HA       LEU  57   5.011  -7.237  -7.265
   20   1HB   LEU  57          2HB       LEU  57   5.922  -5.850  -9.198
   21   2HB   LEU  57          3HB       LEU  57   7.076  -5.191  -8.056
   22    HG   LEU  57           HG       LEU  57   8.257  -7.162  -7.871
   23   1HD1  LEU  57          1HD1      LEU  57   7.310  -9.403  -8.583
   24   2HD1  LEU  57          2HD1      LEU  57   6.592  -8.668  -7.129
   25   3HD1  LEU  57          3HD1      LEU  57   5.725  -8.599  -8.683
   26   1HD2  LEU  57          1HD2      LEU  57   7.548  -8.082 -10.519
   27   2HD2  LEU  57          2HD2      LEU  57   7.616  -6.304 -10.460
   28   3HD2  LEU  57          3HD2      LEU  57   9.024  -7.267  -9.951
   29    H    CYS  58           HN       CYS  58   5.185  -7.924  -5.192
   30    HA   CYS  58           HA       CYS  58   5.666  -6.499  -2.993
   31   1HB   CYS  58          2HB       CYS  58   5.074  -8.877  -2.971
   32   2HB   CYS  58          3HB       CYS  58   6.674  -9.311  -3.539
   33    HA   PRO  59           HA       PRO  59   9.795  -5.162  -4.007
   34   1HB   PRO  59          2HB       PRO  59   9.772  -2.891  -2.487
   35   2HB   PRO  59          3HB       PRO  59   9.233  -2.934  -4.154
   36   1HG   PRO  59          2HG       PRO  59   7.613  -2.791  -1.685
   37   2HG   PRO  59          3HG       PRO  59   7.143  -2.412  -3.330
   38   1HD   PRO  59          2HD       PRO  59   6.473  -4.779  -1.855
   39   2HD   PRO  59          3HD       PRO  59   6.102  -4.452  -3.536
   40    H    ARG  60           HN       ARG  60   8.511  -6.607  -1.430
   41    HA   ARG  60           HA       ARG  60  10.711  -6.066   0.317
   42   1HB   ARG  60          2HB       ARG  60   8.029  -7.202   0.539
   43   2HB   ARG  60          3HB       ARG  60   9.187  -8.289   1.280
   44   1HG   ARG  60          2HG       ARG  60   9.554  -5.388   1.920
   45   2HG   ARG  60          3HG       ARG  60   8.094  -6.121   2.557
   46   1HD   ARG  60          2HD       ARG  60   9.539  -6.664   4.290
   47   2HD   ARG  60          3HD       ARG  60   9.805  -8.072   3.281
   48    HE   ARG  60           HE       ARG  60  11.611  -6.062   2.402
   49   1HH1  ARG  60          1HH1      ARG  60  14.281  -6.890   4.490
   50   2HH1  ARG  60          2HH1      ARG  60  13.802  -6.053   3.052
   51   1HH2  ARG  60          1HH2      ARG  60  12.699  -8.020   5.758
   52   2HH2  ARG  60          2HH2      ARG  60  11.038  -8.026   5.264
   53    H    CYS  61           HN       CYS  61   9.190  -9.081  -1.069
   54    HA   CYS  61           HA       CYS  61  11.749 -10.412  -0.782
   55   1HB   CYS  61          2HB       CYS  61  10.580 -12.461  -1.087
   56   2HB   CYS  61          3HB       CYS  61   9.607 -11.487  -0.003
   57    H    LYS  62           HN       LYS  62   9.361  -9.256  -3.205
   58    HA   LYS  62           HA       LYS  62   9.539  -8.855  -5.370
   59   1HB   LYS  62          2HB       LYS  62  12.325  -8.761  -4.472
   60   2HB   LYS  62          3HB       LYS  62  12.178  -9.220  -6.156
   61   1HG   LYS  62          2HG       LYS  62  11.466  -7.141  -6.785
   62   2HG   LYS  62          3HG       LYS  62  10.347  -7.017  -5.442
   63   1HD   LYS  62          2HD       LYS  62  11.782  -5.492  -4.555
   64   2HD   LYS  62          3HD       LYS  62  12.826  -6.845  -4.169
   65   1HE   LYS  62          2HE       LYS  62  14.304  -6.381  -5.883
   66   2HE   LYS  62          3HE       LYS  62  13.038  -5.872  -6.983
   67   1HZ   LYS  62          1HZ       LYS  62  12.867  -3.901  -5.360
   68   2HZ   LYS  62          2HZ       LYS  62  14.383  -4.322  -4.923
   69   3HZ   LYS  62          3HZ       LYS  62  14.061  -3.921  -6.473
   70    H    LYS  63           HN       LYS  63   8.505 -11.253  -4.705
   71    HA   LYS  63           HA       LYS  63   9.561 -12.947  -6.834
   72   1HB   LYS  63          2HB       LYS  63   9.571 -13.565  -3.956
   73   2HB   LYS  63          3HB       LYS  63   8.800 -14.795  -4.937
   74   1HG   LYS  63          2HG       LYS  63  10.763 -15.389  -5.984
   75   2HG   LYS  63          3HG       LYS  63  11.335 -13.736  -6.085
   76   1HD   LYS  63          2HD       LYS  63  11.343 -14.278  -3.319
   77   2HD   LYS  63          3HD       LYS  63  11.890 -15.780  -4.039
   78   1HE   LYS  63          2HE       LYS  63  13.103 -13.285  -5.170
   79   2HE   LYS  63          3HE       LYS  63  13.544 -13.660  -3.516
   80   1HZ   LYS  63          1HZ       LYS  63  14.761 -15.360  -4.198
   81   2HZ   LYS  63          2HZ       LYS  63  13.616 -15.938  -5.209
   82   3HZ   LYS  63          3HZ       LYS  63  14.632 -14.762  -5.712
   83    H    GLY  64           HN       GLY  64   7.198 -11.008  -6.096
   84   1HA   GLY  64          1HA       GLY  64   5.253 -12.040  -7.681
   85   2HA   GLY  64          2HA       GLY  64   4.900 -12.745  -6.116
   86    H    TYR  65           HN       TYR  65   3.265 -10.797  -7.598
   87    HA   TYR  65           HA       TYR  65   3.645  -8.264  -6.293
   88   1HB   TYR  65          2HB       TYR  65   1.469  -9.595  -8.022
   89   2HB   TYR  65          3HB       TYR  65   1.387  -7.912  -7.539
   90    HD1  TYR  65           HD1      TYR  65   2.672  -6.226  -8.664
   91    HD2  TYR  65           HD2      TYR  65   3.281 -10.361  -9.578
   92    HE1  TYR  65           HE1      TYR  65   4.041  -5.580 -10.707
   93    HE2  TYR  65           HE2      TYR  65   4.648  -9.701 -11.618
   94    HH   TYR  65           HH       TYR  65   4.856  -6.358 -12.644
   95    H    HIS  66           HN       HIS  66   2.861  -7.680  -4.332
   96    HA   HIS  66           HA       HIS  66   0.338  -8.240  -3.430
   97   1HB   HIS  66          2HB       HIS  66   0.854  -9.906  -1.606
   98   2HB   HIS  66          3HB       HIS  66   0.764 -10.545  -3.235
   99    HD1  HIS  66           HD1      HIS  66   2.712 -11.935  -3.998
  100    HD2  HIS  66           HD2      HIS  66   3.679  -9.493  -0.727
  101    HE1  HIS  66           HE1      HIS  66   5.077 -12.584  -3.296
  102    H    TRP  67           HN       TRP  67   0.221  -7.815  -0.904
  103    HA   TRP  67           HA       TRP  67   1.750  -5.438  -0.483
  104   1HB   TRP  67          2HB       TRP  67  -0.415  -6.889   1.004
  105   2HB   TRP  67          3HB       TRP  67   0.491  -5.611   1.790
  106    HD1  TRP  67           HD1      TRP  67  -1.849  -6.091  -1.278
  107    HE1  TRP  67           HE1      TRP  67  -3.031  -3.820  -1.918
  108    HE3  TRP  67           HE3      TRP  67   0.694  -3.219   2.060
  109    HZ2  TRP  67           HZ2      TRP  67  -2.777  -1.138  -0.977
  110    HZ3  TRP  67           HZ3      TRP  67   0.166  -0.784   2.135
  111    HH2  TRP  67           HH2      TRP  67  -1.502   0.263   0.687
  112    H    LYS  68           HN       LYS  68   3.305  -5.097   1.226
  113    HA   LYS  68           HA       LYS  68   5.164  -7.088   1.543
  114   1HB   LYS  68          2HB       LYS  68   6.136  -5.655   3.271
  115   2HB   LYS  68          3HB       LYS  68   5.642  -4.725   1.871
  116   1HG   LYS  68          2HG       LYS  68   3.482  -4.157   3.061
  117   2HG   LYS  68          3HG       LYS  68   4.071  -5.006   4.477
  118   1HD   LYS  68          2HD       LYS  68   5.080  -3.083   5.129
  119   2HD   LYS  68          3HD       LYS  68   6.189  -3.269   3.785
  120   1HE   LYS  68          2HE       LYS  68   4.096  -2.195   2.428
  121   2HE   LYS  68          3HE       LYS  68   3.749  -1.525   4.009
  122   1HZ   LYS  68          1HZ       LYS  68   5.961  -0.985   2.256
  123   2HZ   LYS  68          2HZ       LYS  68   5.202   0.003   3.311
  124   3HZ   LYS  68          3HZ       LYS  68   6.330  -1.049   3.845
  125    H    SER  69           HN       SER  69   2.515  -6.089   3.807
  126    HA   SER  69           HA       SER  69   3.182  -8.051   5.685
  127   1HB   SER  69          2HB       SER  69   0.962  -7.498   6.681
  128   2HB   SER  69          3HB       SER  69   1.906  -6.066   6.319
  129    HG   SER  69           HG       SER  69   0.547  -5.504   4.691
  130    H    GLU  70           HN       GLU  70   1.461  -8.081   2.639
  131    HA   GLU  70           HA       GLU  70   0.018 -10.473   3.312
  132   1HB   GLU  70          2HB       GLU  70   0.194  -8.774   0.793
  133   2HB   GLU  70          3HB       GLU  70  -0.706 -10.277   0.848
  134   1HG   GLU  70          2HG       GLU  70  -1.177  -8.010   2.833
  135   2HG   GLU  70          3HG       GLU  70  -2.048  -8.131   1.318
  136    H    CYS  71           HN       CYS  71   3.184  -9.760   2.543
  137    HA   CYS  71           HA       CYS  71   3.821 -11.489   0.493
  138   1HB   CYS  71          2HB       CYS  71   5.386  -9.826   1.351
  139   2HB   CYS  71          3HB       CYS  71   5.481 -10.653   2.893
  140    H    LYS  72           HN       LYS  72   3.492 -13.682   0.373
  141    HA   LYS  72           HA       LYS  72   3.432 -15.150   2.915
  142   1HB   LYS  72          2HB       LYS  72   1.352 -14.996   1.378
  143   2HB   LYS  72          3HB       LYS  72   2.211 -16.102   0.326
  144   1HG   LYS  72          2HG       LYS  72   2.529 -17.221   2.899
  145   2HG   LYS  72          3HG       LYS  72   0.879 -16.632   2.895
  146   1HD   LYS  72          2HD       LYS  72   0.213 -18.063   1.167
  147   2HD   LYS  72          3HD       LYS  72   1.814 -18.136   0.458
  148   1HE   LYS  72          2HE       LYS  72   2.149 -20.110   1.523
  149   2HE   LYS  72          3HE       LYS  72   2.113 -19.255   3.052
  150   1HZ   LYS  72          1HZ       LYS  72   0.259 -20.338   3.466
  151   2HZ   LYS  72          2HZ       LYS  72  -0.497 -19.516   2.275
  152   3HZ   LYS  72          3HZ       LYS  72   0.182 -20.967   1.961
  153    H    SER  73           HN       SER  73   5.669 -14.271   0.827
  154    HA   SER  73           HA       SER  73   6.580 -16.710  -0.212
  155   1HB   SER  73          2HB       SER  73   7.297 -13.944  -0.351
  156   2HB   SER  73          3HB       SER  73   8.733 -14.803   0.170
  157    HG   SER  73           HG       SER  73   8.554 -14.688  -2.166
  158    H    LYS  74           HN       LYS  74   8.884 -17.576   0.394
  159    HA   LYS  74           HA       LYS  74   8.854 -18.016   3.256
  160   1HB   LYS  74          2HB       LYS  74   9.961 -19.392   0.863
  161   2HB   LYS  74          3HB       LYS  74  10.881 -19.553   2.345
  162   1HG   LYS  74          2HG       LYS  74   9.413 -21.136   3.032
  163   2HG   LYS  74          3HG       LYS  74   8.178 -19.898   3.133
  164   1HD   LYS  74          2HD       LYS  74   8.279 -20.435   0.390
  165   2HD   LYS  74          3HD       LYS  74   8.556 -22.014   1.098
  166   1HE   LYS  74          2HE       LYS  74   6.372 -22.200   1.693
  167   2HE   LYS  74          3HE       LYS  74   6.429 -20.682   2.567
  168   1HZ   LYS  74          1HZ       LYS  74   5.897 -21.052  -0.293
  169   2HZ   LYS  74          2HZ       LYS  74   4.887 -20.445   0.838
  170   3HZ   LYS  74          3HZ       LYS  74   6.195 -19.587   0.366
  171    H    PHE  75           HN       PHE  75  11.053 -16.741   0.682
  172    HA   PHE  75           HA       PHE  75  12.548 -15.441   2.849
  173   1HB   PHE  75          2HB       PHE  75  13.314 -16.936   0.313
  174   2HB   PHE  75          3HB       PHE  75  14.347 -15.607   0.803
  175    HD1  PHE  75           HD1      PHE  75  16.058 -15.992   2.322
  176    HD2  PHE  75           HD2      PHE  75  12.823 -18.733   2.144
  177    HE1  PHE  75           HE1      PHE  75  17.258 -17.513   3.919
  178    HE2  PHE  75           HE2      PHE  75  14.023 -20.254   3.740
  179    HZ   PHE  75           HZ       PHE  75  16.226 -19.625   4.609
  180    H    ASP  76           HN       ASP  76  13.567 -13.356   2.251
  181    HA   ASP  76           HA       ASP  76  12.245 -12.143  -0.040
  182   1HB   ASP  76          2HB       ASP  76  11.671 -10.197   1.200
  183   2HB   ASP  76          3HB       ASP  76  11.233 -11.526   2.256
  184    H    LYS  77           HN       LYS  77  13.425  -9.647  -0.056
  185    HA   LYS  77           HA       LYS  77  15.843  -9.907  -1.133
  186   1HB   LYS  77          2HB       LYS  77  14.442  -7.828  -0.947
  187   2HB   LYS  77          3HB       LYS  77  15.075  -7.595   0.670
  188   1HG   LYS  77          2HG       LYS  77  17.440  -7.847  -0.504
  189   2HG   LYS  77          3HG       LYS  77  16.557  -7.485  -1.973
  190   1HD   LYS  77          2HD       LYS  77  15.671  -5.387  -0.900
  191   2HD   LYS  77          3HD       LYS  77  16.609  -5.743   0.537
  192   1HE   LYS  77          2HE       LYS  77  18.693  -5.791  -0.992
  193   2HE   LYS  77          3HE       LYS  77  17.674  -5.127  -2.253
  194   1HZ   LYS  77          1HZ       LYS  77  18.770  -3.836   0.014
  195   2HZ   LYS  77          2HZ       LYS  77  18.154  -3.185  -1.352
  196   3HZ   LYS  77          3HZ       LYS  77  17.164  -3.565  -0.110
  197    H    ASP  78           HN       ASP  78  18.070  -9.721  -0.465
  198    HA   ASP  78           HA       ASP  78  19.787 -10.182   0.775
  199   1HB   ASP  78          2HB       ASP  78  19.307  -8.393   2.270
  200   2HB   ASP  78          3HB       ASP  78  17.889  -9.192   2.920
  201    H    GLY  79           HN       GLY  79  17.227 -12.065   0.455
  202   1HA   GLY  79          1HA       GLY  79  16.681 -14.188   0.946
  203   2HA   GLY  79          2HA       GLY  79  18.346 -14.414   1.442
  204    H    ASN  80           HN       ASN  80  15.794 -12.242   2.826
  205    HA   ASN  80           HA       ASN  80  16.459 -13.261   5.416
  206   1HB   ASN  80          2HB       ASN  80  14.767 -11.000   4.321
  207   2HB   ASN  80          3HB       ASN  80  14.448 -11.545   5.956
  208   1HD2  ASN  80          1HD2      ASN  80  16.319  -9.590   3.987
  209   2HD2  ASN  80          2HD2      ASN  80  17.576  -9.144   5.092
  210    HA   PRO  81           HA       PRO  81  12.983 -15.946   5.470
  211   1HB   PRO  81          2HB       PRO  81  12.811 -16.471   8.146
  212   2HB   PRO  81          3HB       PRO  81  13.942 -17.282   7.081
  213   1HG   PRO  81          2HG       PRO  81  14.465 -15.158   9.069
  214   2HG   PRO  81          3HG       PRO  81  15.600 -16.262   8.317
  215   1HD   PRO  81          2HD       PRO  81  15.211 -13.494   7.670
  216   2HD   PRO  81          3HD       PRO  81  16.261 -14.627   6.841
  217    H    LEU  82           HN       LEU  82  11.110 -15.111   4.766
  218    HA   LEU  82           HA       LEU  82   9.928 -12.875   5.635
  219   1HB   LEU  82          2HB       LEU  82   8.940 -15.422   4.477
  220   2HB   LEU  82          3HB       LEU  82   7.734 -14.347   5.155
  221    HG   LEU  82           HG       LEU  82   8.034 -14.031   2.736
  222   1HD1  LEU  82          1HD1      LEU  82   7.151 -12.136   3.738
  223   2HD1  LEU  82          2HD1      LEU  82   8.654 -11.771   4.619
  224   3HD1  LEU  82          3HD1      LEU  82   8.562 -11.495   2.863
  225   1HD2  LEU  82          1HD2      LEU  82  10.420 -14.621   2.605
  226   2HD2  LEU  82          2HD2      LEU  82  10.062 -13.070   1.809
  227   3HD2  LEU  82          3HD2      LEU  82  10.834 -13.090   3.413
  228    HA   PRO  83           HA       PRO  83   8.588 -13.493   9.690
  229   1HB   PRO  83          2HB       PRO  83   6.560 -11.671   9.880
  230   2HB   PRO  83          3HB       PRO  83   8.253 -11.236  10.002
  231   1HG   PRO  83          2HG       PRO  83   6.391 -10.816   7.746
  232   2HG   PRO  83          3HG       PRO  83   7.926 -10.033   8.062
  233   1HD   PRO  83          2HD       PRO  83   7.420 -12.110   6.149
  234   2HD   PRO  83          3HD       PRO  83   8.976 -11.409   6.548
  235    HA   PRO  84           HA       PRO  84   5.352 -16.231   9.839
  236   1HB   PRO  84          2HB       PRO  84   4.808 -16.346  12.515
  237   2HB   PRO  84          3HB       PRO  84   6.129 -17.221  11.767
  238   1HG   PRO  84          2HG       PRO  84   6.229 -14.779  13.431
  239   2HG   PRO  84          3HG       PRO  84   7.524 -15.894  13.037
  240   1HD   PRO  84          2HD       PRO  84   7.085 -13.300  11.893
  241   2HD   PRO  84          3HD       PRO  84   8.308 -14.461  11.419
  Start of MODEL   19
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.799  -3.170  -3.800
    9   1HB   PRO  55          2HB       PRO  55   3.642  -2.953  -5.806
   10   2HB   PRO  55          3HB       PRO  55   2.019  -2.301  -5.921
   11   1HG   PRO  55          2HG       PRO  55   4.566  -0.867  -5.478
   12   2HG   PRO  55          3HG       PRO  55   3.024  -0.227  -6.013
   13   1HD   PRO  55          2HD       PRO  55   4.160   0.003  -3.389
   14   2HD   PRO  55          3HD       PRO  55   2.570   0.540  -3.894
   15    H    GLY  56           HN       GLY  56   2.477  -5.243  -3.534
   16   1HA   GLY  56          1HA       GLY  56   5.303  -5.513  -2.737
   17   2HA   GLY  56          2HA       GLY  56   4.031  -6.140  -1.707
   18    H    LEU  57           HN       LEU  57   5.486  -8.157  -2.282
   19    HA   LEU  57           HA       LEU  57   5.322  -9.270  -4.837
   20   1HB   LEU  57          2HB       LEU  57   6.900  -9.830  -2.947
   21   2HB   LEU  57          3HB       LEU  57   5.596 -10.750  -2.222
   22    HG   LEU  57           HG       LEU  57   5.520 -12.244  -4.152
   23   1HD1  LEU  57          1HD1      LEU  57   6.103 -10.752  -5.942
   24   2HD1  LEU  57          2HD1      LEU  57   7.731 -10.501  -5.268
   25   3HD1  LEU  57          3HD1      LEU  57   7.272 -12.094  -5.914
   26   1HD2  LEU  57          1HD2      LEU  57   8.341 -12.560  -3.832
   27   2HD2  LEU  57          2HD2      LEU  57   7.648 -12.022  -2.283
   28   3HD2  LEU  57          3HD2      LEU  57   7.014 -13.480  -3.082
   29    H    CYS  58           HN       CYS  58   3.813 -10.531  -5.875
   30    HA   CYS  58           HA       CYS  58   1.194 -10.495  -4.740
   31   1HB   CYS  58          2HB       CYS  58   1.588 -10.073  -7.147
   32   2HB   CYS  58          3HB       CYS  58   2.180 -11.710  -7.342
   33    HA   PRO  59           HA       PRO  59   1.943 -14.461  -2.939
   34   1HB   PRO  59          2HB       PRO  59  -0.289 -14.538  -1.363
   35   2HB   PRO  59          3HB       PRO  59   1.214 -13.789  -0.861
   36   1HG   PRO  59          2HG       PRO  59  -1.296 -12.499  -1.740
   37   2HG   PRO  59          3HG       PRO  59   0.041 -11.803  -0.847
   38   1HD   PRO  59          2HD       PRO  59  -0.541 -11.433  -3.631
   39   2HD   PRO  59          3HD       PRO  59   0.859 -10.833  -2.764
   40    H    ARG  60           HN       ARG  60  -0.038 -13.593  -5.318
   41    HA   ARG  60           HA       ARG  60  -1.477 -16.100  -5.260
   42   1HB   ARG  60          2HB       ARG  60  -2.013 -13.432  -6.283
   43   2HB   ARG  60          3HB       ARG  60  -2.108 -14.568  -7.614
   44   1HG   ARG  60          2HG       ARG  60  -3.423 -15.606  -5.187
   45   2HG   ARG  60          3HG       ARG  60  -4.109 -14.076  -5.699
   46   1HD   ARG  60          2HD       ARG  60  -4.898 -14.937  -7.720
   47   2HD   ARG  60          3HD       ARG  60  -3.602 -16.109  -7.857
   48    HE   ARG  60           HE       ARG  60  -5.115 -16.873  -5.595
   49   1HH1  ARG  60          1HH1      ARG  60  -7.479 -18.872  -7.206
   50   2HH1  ARG  60          2HH1      ARG  60  -6.728 -18.489  -5.693
   51   1HH2  ARG  60          1HH2      ARG  60  -6.847 -17.744  -9.134
   52   2HH2  ARG  60          2HH2      ARG  60  -5.625 -16.519  -9.059
   53    H    CYS  61           HN       CYS  61   0.104 -14.074  -7.849
   54    HA   CYS  61           HA       CYS  61   0.711 -16.429  -9.345
   55   1HB   CYS  61          2HB       CYS  61   1.687 -14.874 -10.978
   56   2HB   CYS  61          3HB       CYS  61   0.069 -14.388 -10.510
   57    H    LYS  62           HN       LYS  62   2.320 -14.152  -7.110
   58    HA   LYS  62           HA       LYS  62   4.359 -14.066  -6.256
   59   1HB   LYS  62          2HB       LYS  62   5.207 -16.075  -5.328
   60   2HB   LYS  62          3HB       LYS  62   3.461 -16.228  -5.334
   61   1HG   LYS  62          2HG       LYS  62   3.459 -17.791  -7.102
   62   2HG   LYS  62          3HG       LYS  62   5.010 -17.256  -7.719
   63   1HD   LYS  62          2HD       LYS  62   6.220 -18.353  -5.951
   64   2HD   LYS  62          3HD       LYS  62   4.775 -18.567  -4.983
   65   1HE   LYS  62          2HE       LYS  62   4.598 -19.803  -7.682
   66   2HE   LYS  62          3HE       LYS  62   5.860 -20.485  -6.675
   67   1HZ   LYS  62          1HZ       LYS  62   3.286 -21.147  -6.532
   68   2HZ   LYS  62          2HZ       LYS  62   4.361 -21.381  -5.325
   69   3HZ   LYS  62          3HZ       LYS  62   3.387 -20.071  -5.308
   70    H    LYS  63           HN       LYS  63   4.094 -13.703  -9.157
   71    HA   LYS  63           HA       LYS  63   6.813 -14.531  -9.897
   72   1HB   LYS  63          2HB       LYS  63   4.276 -14.610 -11.529
   73   2HB   LYS  63          3HB       LYS  63   5.847 -14.500 -12.296
   74   1HG   LYS  63          2HG       LYS  63   6.531 -16.539 -10.840
   75   2HG   LYS  63          3HG       LYS  63   4.827 -16.713 -10.467
   76   1HD   LYS  63          2HD       LYS  63   4.259 -17.036 -12.815
   77   2HD   LYS  63          3HD       LYS  63   5.873 -16.584 -13.330
   78   1HE   LYS  63          2HE       LYS  63   6.842 -18.590 -12.344
   79   2HE   LYS  63          3HE       LYS  63   5.348 -18.982 -11.517
   80   1HZ   LYS  63          1HZ       LYS  63   4.392 -19.680 -13.433
   81   2HZ   LYS  63          2HZ       LYS  63   5.275 -18.709 -14.404
   82   3HZ   LYS  63          3HZ       LYS  63   5.942 -20.061 -13.778
   83    H    GLY  64           HN       GLY  64   5.757 -12.101  -8.494
   84   1HA   GLY  64          1HA       GLY  64   7.287 -10.142  -9.541
   85   2HA   GLY  64          2HA       GLY  64   5.810  -9.995 -10.473
   86    H    TYR  65           HN       TYR  65   6.517  -7.858  -8.893
   87    HA   TYR  65           HA       TYR  65   4.982  -8.141  -6.419
   88   1HB   TYR  65          2HB       TYR  65   7.023  -6.235  -7.668
   89   2HB   TYR  65          3HB       TYR  65   6.041  -5.658  -6.337
   90    HD1  TYR  65           HD1      TYR  65   8.365  -8.443  -7.263
   91    HD2  TYR  65           HD2      TYR  65   6.723  -6.038  -4.128
   92    HE1  TYR  65           HE1      TYR  65   9.990  -9.481  -5.605
   93    HE2  TYR  65           HE2      TYR  65   8.353  -7.085  -2.481
   94    HH   TYR  65           HH       TYR  65  10.853  -8.246  -2.916
   95    H    HIS  66           HN       HIS  66   2.862  -7.600  -6.463
   96    HA   HIS  66           HA       HIS  66   1.994  -5.133  -7.372
   97   1HB   HIS  66          2HB       HIS  66   0.658  -5.769  -9.336
   98   2HB   HIS  66          3HB       HIS  66   2.381  -5.911  -9.617
   99    HD1  HIS  66           HD1      HIS  66   2.907  -7.936 -10.962
  100    HD2  HIS  66           HD2      HIS  66  -0.326  -8.579  -8.368
  101    HE1  HIS  66           HE1      HIS  66   2.160 -10.347 -11.335
  102    H    TRP  67           HN       TRP  67  -0.383  -4.886  -7.073
  103    HA   TRP  67           HA       TRP  67  -1.241  -6.488  -4.887
  104   1HB   TRP  67          2HB       TRP  67  -2.504  -4.257  -6.472
  105   2HB   TRP  67          3HB       TRP  67  -3.354  -5.093  -5.187
  106    HD1  TRP  67           HD1      TRP  67  -0.379  -2.687  -5.700
  107    HE1  TRP  67           HE1      TRP  67   0.295  -1.509  -3.437
  108    HE3  TRP  67           HE3      TRP  67  -3.457  -5.446  -2.738
  109    HZ2  TRP  67           HZ2      TRP  67  -0.517  -1.855  -0.723
  110    HZ3  TRP  67           HZ3      TRP  67  -3.456  -4.962  -0.292
  111    HH2  TRP  67           HH2      TRP  67  -2.053  -3.237   0.724
  112    H    LYS  68           HN       LYS  68  -3.122  -7.900  -4.850
  113    HA   LYS  68           HA       LYS  68  -3.240  -9.728  -6.875
  114   1HB   LYS  68          2HB       LYS  68  -5.459  -9.019  -4.932
  115   2HB   LYS  68          3HB       LYS  68  -5.288 -10.529  -5.804
  116   1HG   LYS  68          2HG       LYS  68  -3.755 -11.329  -4.322
  117   2HG   LYS  68          3HG       LYS  68  -2.808  -9.856  -4.386
  118   1HD   LYS  68          2HD       LYS  68  -4.943  -8.940  -2.951
  119   2HD   LYS  68          3HD       LYS  68  -4.998 -10.629  -2.487
  120   1HE   LYS  68          2HE       LYS  68  -2.249  -9.923  -2.349
  121   2HE   LYS  68          3HE       LYS  68  -3.103  -8.553  -1.666
  122   1HZ   LYS  68          1HZ       LYS  68  -3.364 -11.356  -0.834
  123   2HZ   LYS  68          2HZ       LYS  68  -2.707 -10.134   0.026
  124   3HZ   LYS  68          3HZ       LYS  68  -4.313 -10.152  -0.270
  125    H    SER  69           HN       SER  69  -5.469  -6.922  -6.297
  126    HA   SER  69           HA       SER  69  -6.979  -7.432  -8.578
  127   1HB   SER  69          2HB       SER  69  -8.005  -6.063  -6.950
  128   2HB   SER  69          3HB       SER  69  -6.588  -5.050  -6.758
  129    HG   SER  69           HG       SER  69  -8.683  -4.875  -8.622
  130    H    GLU  70           HN       GLU  70  -3.861  -5.892  -8.027
  131    HA   GLU  70           HA       GLU  70  -3.941  -4.508 -10.536
  132   1HB   GLU  70          2HB       GLU  70  -1.860  -4.794  -8.341
  133   2HB   GLU  70          3HB       GLU  70  -1.478  -4.014  -9.863
  134   1HG   GLU  70          2HG       GLU  70  -3.984  -3.132  -8.440
  135   2HG   GLU  70          3HG       GLU  70  -2.449  -2.639  -7.753
  136    H    CYS  71           HN       CYS  71  -3.343  -7.687  -9.464
  137    HA   CYS  71           HA       CYS  71  -1.134  -8.506 -10.824
  138   1HB   CYS  71          2HB       CYS  71  -2.478  -9.909  -9.278
  139   2HB   CYS  71          3HB       CYS  71  -3.725 -10.056 -10.499
  140    H    LYS  72           HN       LYS  72  -0.588  -8.377 -12.973
  141    HA   LYS  72           HA       LYS  72  -2.807  -8.187 -14.886
  142   1HB   LYS  72          2HB       LYS  72  -1.294  -6.923 -16.315
  143   2HB   LYS  72          3HB       LYS  72  -1.456  -6.155 -14.749
  144   1HG   LYS  72          2HG       LYS  72   0.712  -7.963 -14.451
  145   2HG   LYS  72          3HG       LYS  72   0.940  -7.245 -16.033
  146   1HD   LYS  72          2HD       LYS  72   0.228  -5.040 -14.474
  147   2HD   LYS  72          3HD       LYS  72   1.169  -6.004 -13.353
  148   1HE   LYS  72          2HE       LYS  72   2.436  -5.917 -16.006
  149   2HE   LYS  72          3HE       LYS  72   2.177  -4.304 -15.374
  150   1HZ   LYS  72          1HZ       LYS  72   3.369  -4.854 -13.438
  151   2HZ   LYS  72          2HZ       LYS  72   3.417  -6.446 -13.798
  152   3HZ   LYS  72          3HZ       LYS  72   4.276  -5.381 -14.690
  153    H    SER  73           HN       SER  73  -1.078 -10.512 -13.543
  154    HA   SER  73           HA       SER  73   0.190 -11.632 -15.816
  155   1HB   SER  73          2HB       SER  73  -0.238 -12.371 -12.955
  156   2HB   SER  73          3HB       SER  73  -0.030 -13.720 -14.053
  157    HG   SER  73           HG       SER  73   2.009 -12.958 -14.663
  158    H    LYS  74           HN       LYS  74  -0.426 -13.905 -16.623
  159    HA   LYS  74           HA       LYS  74  -3.304 -13.930 -17.046
  160   1HB   LYS  74          2HB       LYS  74  -1.117 -14.296 -18.728
  161   2HB   LYS  74          3HB       LYS  74  -1.720 -15.923 -18.485
  162   1HG   LYS  74          2HG       LYS  74  -3.322 -15.462 -20.025
  163   2HG   LYS  74          3HG       LYS  74  -4.064 -14.411 -18.834
  164   1HD   LYS  74          2HD       LYS  74  -3.366 -12.500 -19.893
  165   2HD   LYS  74          3HD       LYS  74  -1.775 -13.149 -20.234
  166   1HE   LYS  74          2HE       LYS  74  -3.628 -14.648 -21.831
  167   2HE   LYS  74          3HE       LYS  74  -4.073 -12.962 -22.001
  168   1HZ   LYS  74          1HZ       LYS  74  -1.749 -14.304 -22.932
  169   2HZ   LYS  74          2HZ       LYS  74  -2.411 -12.900 -23.440
  170   3HZ   LYS  74          3HZ       LYS  74  -1.394 -12.908 -22.162
  171    H    PHE  75           HN       PHE  75  -0.626 -15.844 -15.635
  172    HA   PHE  75           HA       PHE  75  -2.684 -17.585 -14.478
  173   1HB   PHE  75          2HB       PHE  75   0.176 -18.286 -15.373
  174   2HB   PHE  75          3HB       PHE  75  -0.995 -19.427 -14.743
  175    HD1  PHE  75           HD1      PHE  75   0.489 -18.308 -17.649
  176    HD2  PHE  75           HD2      PHE  75  -3.333 -19.346 -16.124
  177    HE1  PHE  75           HE1      PHE  75  -0.316 -18.770 -19.981
  178    HE2  PHE  75           HE2      PHE  75  -4.137 -19.808 -18.456
  179    HZ   PHE  75           HZ       PHE  75  -2.620 -19.514 -20.357
  180    H    ASP  76           HN       ASP  76  -1.931 -18.681 -12.422
  181    HA   ASP  76           HA       ASP  76   0.114 -17.087 -11.106
  182   1HB   ASP  76          2HB       ASP  76  -1.326 -17.200  -9.011
  183   2HB   ASP  76          3HB       ASP  76  -1.953 -16.166 -10.279
  184    H    LYS  77           HN       LYS  77   0.258 -18.334  -8.655
  185    HA   LYS  77           HA       LYS  77   1.642 -20.582  -8.966
  186   1HB   LYS  77          2HB       LYS  77   1.308 -21.027  -6.659
  187   2HB   LYS  77          3HB       LYS  77   1.248 -19.286  -6.850
  188   1HG   LYS  77          2HG       LYS  77  -1.377 -19.722  -7.137
  189   2HG   LYS  77          3HG       LYS  77  -1.014 -21.212  -6.290
  190   1HD   LYS  77          2HD       LYS  77   0.280 -19.625  -4.601
  191   2HD   LYS  77          3HD       LYS  77  -0.703 -18.360  -5.313
  192   1HE   LYS  77          2HE       LYS  77  -2.446 -18.982  -4.003
  193   2HE   LYS  77          3HE       LYS  77  -2.473 -20.550  -4.785
  194   1HZ   LYS  77          1HZ       LYS  77  -2.054 -20.411  -2.289
  195   2HZ   LYS  77          2HZ       LYS  77  -1.146 -21.447  -3.166
  196   3HZ   LYS  77          3HZ       LYS  77  -0.520 -20.016  -2.686
  197    H    ASP  78           HN       ASP  78   1.257 -22.888  -8.818
  198    HA   ASP  78           HA       ASP  78   0.256 -24.738  -9.342
  199   1HB   ASP  78          2HB       ASP  78  -1.348 -24.502  -7.609
  200   2HB   ASP  78          3HB       ASP  78  -2.126 -23.136  -8.382
  201    H    GLY  79           HN       GLY  79   0.305 -22.115 -11.174
  202   1HA   GLY  79          1HA       GLY  79  -0.169 -21.606 -13.309
  203   2HA   GLY  79          2HA       GLY  79  -0.460 -23.314 -13.571
  204    H    ASN  80           HN       ASN  80  -2.230 -21.098 -11.330
  205    HA   ASN  80           HA       ASN  80  -4.678 -22.010 -12.455
  206   1HB   ASN  80          2HB       ASN  80  -3.853 -20.204 -10.168
  207   2HB   ASN  80          3HB       ASN  80  -5.501 -20.085 -10.752
  208   1HD2  ASN  80          1HD2      ASN  80  -3.378 -21.696  -8.737
  209   2HD2  ASN  80          2HD2      ASN  80  -4.328 -23.084  -8.324
  210    HA   PRO  81           HA       PRO  81  -5.209 -18.542 -15.090
  211   1HB   PRO  81          2HB       PRO  81  -7.923 -18.503 -15.403
  212   2HB   PRO  81          3HB       PRO  81  -6.873 -19.594 -16.284
  213   1HG   PRO  81          2HG       PRO  81  -8.660 -20.180 -14.003
  214   2HG   PRO  81          3HG       PRO  81  -7.944 -21.294 -15.151
  215   1HD   PRO  81          2HD       PRO  81  -7.100 -20.835 -12.448
  216   2HD   PRO  81          3HD       PRO  81  -6.314 -21.861 -13.631
  217    H    LEU  82           HN       LEU  82  -4.458 -16.693 -14.198
  218    HA   LEU  82           HA       LEU  82  -5.292 -15.521 -11.949
  219   1HB   LEU  82          2HB       LEU  82  -3.829 -14.781 -14.250
  220   2HB   LEU  82          3HB       LEU  82  -4.953 -13.474 -13.936
  221    HG   LEU  82           HG       LEU  82  -3.147 -12.787 -12.711
  222   1HD1  LEU  82          1HD1      LEU  82  -5.254 -13.221 -11.270
  223   2HD1  LEU  82          2HD1      LEU  82  -4.288 -14.525 -10.537
  224   3HD1  LEU  82          3HD1      LEU  82  -3.714 -12.842 -10.461
  225   1HD2  LEU  82          1HD2      LEU  82  -1.758 -14.415 -11.302
  226   2HD2  LEU  82          2HD2      LEU  82  -2.576 -15.706 -12.214
  227   3HD2  LEU  82          3HD2      LEU  82  -1.589 -14.498 -13.072
  228    HA   PRO  83           HA       PRO  83  -9.539 -14.865 -12.991
  229   1HB   PRO  83          2HB       PRO  83 -10.488 -14.905 -10.429
  230   2HB   PRO  83          3HB       PRO  83 -10.342 -16.344 -11.420
  231   1HG   PRO  83          2HG       PRO  83  -8.640 -15.463  -9.169
  232   2HG   PRO  83          3HG       PRO  83  -8.779 -17.058  -9.882
  233   1HD   PRO  83          2HD       PRO  83  -6.648 -15.181 -10.279
  234   2HD   PRO  83          3HD       PRO  83  -6.846 -16.726 -11.081
  235    HA   PRO  84           HA       PRO  84  -9.848 -10.678 -12.390
  236   1HB   PRO  84          2HB       PRO  84 -12.521 -10.219 -12.729
  237   2HB   PRO  84          3HB       PRO  84 -11.408 -10.433 -14.066
  238   1HG   PRO  84          2HG       PRO  84 -13.409 -12.329 -12.999
  239   2HG   PRO  84          3HG       PRO  84 -12.605 -12.343 -14.556
  240   1HD   PRO  84          2HD       PRO  84 -12.010 -14.014 -12.301
  241   2HD   PRO  84          3HD       PRO  84 -11.132 -13.947 -13.816
  Start of MODEL   20
    1    HA   PRO  54           HA       PRO  54   1.690   0.628  -1.902
    2   1HB   PRO  54          2HB       PRO  54   4.263  -0.141  -1.396
    3   2HB   PRO  54          3HB       PRO  54   3.677   1.486  -1.116
    4   1HG   PRO  54          2HG       PRO  54   4.253  -0.640   0.854
    5   2HG   PRO  54          3HG       PRO  54   4.083   1.084   1.118
    6   1HD   PRO  54          2HD       PRO  54   2.147  -0.944   1.722
    7   2HD   PRO  54          3HD       PRO  54   1.934   0.789   1.877
    8    HA   PRO  55           HA       PRO  55   1.663  -3.185  -3.760
    9   1HB   PRO  55          2HB       PRO  55   3.205  -2.853  -5.992
   10   2HB   PRO  55          3HB       PRO  55   1.543  -2.307  -5.885
   11   1HG   PRO  55          2HG       PRO  55   4.030  -0.711  -5.774
   12   2HG   PRO  55          3HG       PRO  55   2.393  -0.173  -6.094
   13   1HD   PRO  55          2HD       PRO  55   3.852   0.133  -3.643
   14   2HD   PRO  55          3HD       PRO  55   2.178   0.566  -3.928
   15    H    GLY  56           HN       GLY  56   2.574  -4.386  -2.046
   16   1HA   GLY  56          1HA       GLY  56   5.455  -4.886  -2.413
   17   2HA   GLY  56          2HA       GLY  56   4.529  -5.158  -0.951
   18    H    LEU  57           HN       LEU  57   6.247  -7.013  -2.654
   19    HA   LEU  57           HA       LEU  57   4.642  -8.779  -4.074
   20   1HB   LEU  57          2HB       LEU  57   7.163  -8.558  -4.027
   21   2HB   LEU  57          3HB       LEU  57   7.140  -9.475  -2.534
   22    HG   LEU  57           HG       LEU  57   6.128 -11.387  -3.692
   23   1HD1  LEU  57          1HD1      LEU  57   4.996 -11.109  -5.577
   24   2HD1  LEU  57          2HD1      LEU  57   5.571  -9.430  -5.719
   25   3HD1  LEU  57          3HD1      LEU  57   6.525 -10.760  -6.419
   26   1HD2  LEU  57          1HD2      LEU  57   8.698 -10.765  -3.659
   27   2HD2  LEU  57          2HD2      LEU  57   8.092 -12.184  -4.547
   28   3HD2  LEU  57          3HD2      LEU  57   8.460 -10.677  -5.421
   29    H    CYS  58           HN       CYS  58   3.437 -10.597  -3.534
   30    HA   CYS  58           HA       CYS  58   2.654 -10.692  -0.758
   31   1HB   CYS  58          2HB       CYS  58   0.936 -10.678  -2.541
   32   2HB   CYS  58          3HB       CYS  58   1.557 -12.196  -3.158
   33    HA   PRO  59           HA       PRO  59   5.507 -14.044  -0.335
   34   1HB   PRO  59          2HB       PRO  59   5.468 -14.167   2.395
   35   2HB   PRO  59          3HB       PRO  59   6.535 -13.104   1.499
   36   1HG   PRO  59          2HG       PRO  59   4.080 -12.430   3.002
   37   2HG   PRO  59          3HG       PRO  59   5.368 -11.368   2.472
   38   1HD   PRO  59          2HD       PRO  59   2.775 -11.648   1.279
   39   2HD   PRO  59          3HD       PRO  59   4.103 -10.673   0.682
   40    H    ARG  60           HN       ARG  60   2.282 -13.966  -0.080
   41    HA   ARG  60           HA       ARG  60   2.120 -16.596   1.083
   42   1HB   ARG  60          2HB       ARG  60   0.338 -14.310   0.807
   43   2HB   ARG  60          3HB       ARG  60  -0.440 -15.720   0.117
   44   1HG   ARG  60          2HG       ARG  60   0.862 -15.730   2.878
   45   2HG   ARG  60          3HG       ARG  60  -0.830 -15.349   2.626
   46   1HD   ARG  60          2HD       ARG  60   0.129 -17.871   1.324
   47   2HD   ARG  60          3HD       ARG  60   0.103 -17.889   3.076
   48    HE   ARG  60           HE       ARG  60  -2.359 -16.810   1.921
   49   1HH1  ARG  60          1HH1      ARG  60  -4.195 -19.688   2.643
   50   2HH1  ARG  60          2HH1      ARG  60  -4.279 -18.025   2.165
   51   1HH2  ARG  60          1HH2      ARG  60  -2.135 -20.681   3.035
   52   2HH2  ARG  60          2HH2      ARG  60  -0.680 -19.760   2.850
   53    H    CYS  61           HN       CYS  61   0.700 -14.926  -1.836
   54    HA   CYS  61           HA       CYS  61   0.529 -17.468  -3.173
   55   1HB   CYS  61          2HB       CYS  61  -0.638 -16.243  -4.930
   56   2HB   CYS  61          3HB       CYS  61  -1.328 -15.875  -3.361
   57    H    LYS  62           HN       LYS  62   2.360 -14.369  -3.282
   58    HA   LYS  62           HA       LYS  62   4.219 -13.771  -4.309
   59   1HB   LYS  62          2HB       LYS  62   4.771 -16.190  -3.225
   60   2HB   LYS  62          3HB       LYS  62   5.114 -16.541  -4.906
   61   1HG   LYS  62          2HG       LYS  62   6.188 -13.938  -3.894
   62   2HG   LYS  62          3HG       LYS  62   6.910 -15.372  -3.192
   63   1HD   LYS  62          2HD       LYS  62   7.050 -16.192  -5.722
   64   2HD   LYS  62          3HD       LYS  62   6.891 -14.486  -6.087
   65   1HE   LYS  62          2HE       LYS  62   8.815 -14.505  -4.050
   66   2HE   LYS  62          3HE       LYS  62   9.196 -15.956  -4.956
   67   1HZ   LYS  62          1HZ       LYS  62   9.191 -13.197  -5.868
   68   2HZ   LYS  62          2HZ       LYS  62  10.311 -14.362  -6.105
   69   3HZ   LYS  62          3HZ       LYS  62   8.919 -14.381  -6.958
   70    H    LYS  63           HN       LYS  63   1.867 -13.779  -5.848
   71    HA   LYS  63           HA       LYS  63   2.999 -14.433  -8.475
   72   1HB   LYS  63          2HB       LYS  63   0.383 -15.220  -7.297
   73   2HB   LYS  63          3HB       LYS  63   0.354 -14.674  -8.961
   74   1HG   LYS  63          2HG       LYS  63   2.298 -16.793  -7.937
   75   2HG   LYS  63          3HG       LYS  63   0.740 -17.183  -8.637
   76   1HD   LYS  63          2HD       LYS  63   2.261 -15.305 -10.325
   77   2HD   LYS  63          3HD       LYS  63   3.146 -16.791 -10.042
   78   1HE   LYS  63          2HE       LYS  63   0.569 -17.730 -10.558
   79   2HE   LYS  63          3HE       LYS  63   0.675 -16.341 -11.621
   80   1HZ   LYS  63          1HZ       LYS  63   1.542 -18.552 -12.449
   81   2HZ   LYS  63          2HZ       LYS  63   2.482 -17.242 -12.705
   82   3HZ   LYS  63          3HZ       LYS  63   2.850 -18.289 -11.507
   83    H    GLY  64           HN       GLY  64   2.967 -11.974  -6.682
   84   1HA   GLY  64          1HA       GLY  64   2.781  -9.993  -8.506
   85   2HA   GLY  64          2HA       GLY  64   1.121 -10.165  -7.971
   86    H    TYR  65           HN       TYR  65   1.760  -7.804  -7.289
   87    HA   TYR  65           HA       TYR  65   2.974  -7.910  -4.612
   88   1HB   TYR  65          2HB       TYR  65   2.727  -5.857  -6.877
   89   2HB   TYR  65          3HB       TYR  65   3.094  -5.316  -5.251
   90    HD1  TYR  65           HD1      TYR  65   4.341  -7.357  -8.086
   91    HD2  TYR  65           HD2      TYR  65   5.290  -5.560  -4.321
   92    HE1  TYR  65           HE1      TYR  65   6.811  -7.810  -8.484
   93    HE2  TYR  65           HE2      TYR  65   7.757  -6.019  -4.732
   94    HH   TYR  65           HH       TYR  65   9.061  -6.514  -7.492
   95    H    HIS  66           HN       HIS  66   1.384  -8.028  -3.090
   96    HA   HIS  66           HA       HIS  66  -0.437  -5.895  -2.876
   97   1HB   HIS  66          2HB       HIS  66  -2.534  -7.155  -3.096
   98   2HB   HIS  66          3HB       HIS  66  -1.666  -7.026  -4.613
   99    HD1  HIS  66           HD1      HIS  66  -1.865  -9.145  -5.901
  100    HD2  HIS  66           HD2      HIS  66  -1.558  -9.846  -1.776
  101    HE1  HIS  66           HE1      HIS  66  -1.912 -11.679  -5.601
  102    H    TRP  67           HN       TRP  67  -1.710  -6.057  -0.838
  103    HA   TRP  67           HA       TRP  67  -0.141  -7.329   1.166
  104   1HB   TRP  67          2HB       TRP  67  -2.679  -5.706   1.193
  105   2HB   TRP  67          3HB       TRP  67  -2.033  -6.444   2.645
  106    HD1  TRP  67           HD1      TRP  67  -1.293  -3.591   0.182
  107    HE1  TRP  67           HE1      TRP  67   0.542  -1.949   1.131
  108    HE3  TRP  67           HE3      TRP  67  -0.046  -6.461   4.190
  109    HZ2  TRP  67           HZ2      TRP  67   2.271  -2.033   3.400
  110    HZ3  TRP  67           HZ3      TRP  67   1.726  -5.608   5.723
  111    HH2  TRP  67           HH2      TRP  67   2.870  -3.476   5.379
  112    H    LYS  68           HN       LYS  68  -0.788  -9.086   2.547
  113    HA   LYS  68           HA       LYS  68  -1.961 -11.221   1.317
  114   1HB   LYS  68          2HB       LYS  68  -2.148 -12.179   3.603
  115   2HB   LYS  68          3HB       LYS  68  -0.574 -11.493   3.251
  116   1HG   LYS  68          2HG       LYS  68  -1.748  -9.284   4.310
  117   2HG   LYS  68          3HG       LYS  68  -2.704 -10.504   5.129
  118   1HD   LYS  68          2HD       LYS  68   0.052 -11.345   5.239
  119   2HD   LYS  68          3HD       LYS  68  -0.002  -9.657   5.706
  120   1HE   LYS  68          2HE       LYS  68  -0.619 -10.397   7.771
  121   2HE   LYS  68          3HE       LYS  68  -2.196 -10.704   7.070
  122   1HZ   LYS  68          1HZ       LYS  68  -0.445 -12.555   8.069
  123   2HZ   LYS  68          2HZ       LYS  68  -1.852 -12.852   7.295
  124   3HZ   LYS  68          3HZ       LYS  68  -0.452 -12.808   6.455
  125    H    SER  69           HN       SER  69  -3.496  -8.781   3.506
  126    HA   SER  69           HA       SER  69  -5.987  -9.974   3.500
  127   1HB   SER  69          2HB       SER  69  -6.811  -7.774   4.281
  128   2HB   SER  69          3HB       SER  69  -5.331  -8.225   5.103
  129    HG   SER  69           HG       SER  69  -4.190  -6.880   3.437
  130    H    GLU  70           HN       GLU  70  -4.340  -7.812   1.189
  131    HA   GLU  70           HA       GLU  70  -6.768  -7.362  -0.264
  132   1HB   GLU  70          2HB       GLU  70  -3.882  -6.497  -0.601
  133   2HB   GLU  70          3HB       GLU  70  -5.036  -6.251  -1.896
  134   1HG   GLU  70          2HG       GLU  70  -5.688  -5.346   0.929
  135   2HG   GLU  70          3HG       GLU  70  -4.693  -4.347  -0.111
  136    H    CYS  71           HN       CYS  71  -4.418  -9.832  -0.026
  137    HA   CYS  71           HA       CYS  71  -3.878 -10.623  -2.548
  138   1HB   CYS  71          2HB       CYS  71  -3.010 -11.748  -0.550
  139   2HB   CYS  71          3HB       CYS  71  -4.597 -12.399  -0.192
  140    H    LYS  72           HN       LYS  72  -5.140 -11.133  -4.308
  141    HA   LYS  72           HA       LYS  72  -7.890 -12.002  -3.744
  142   1HB   LYS  72          2HB       LYS  72  -8.589 -10.833  -5.766
  143   2HB   LYS  72          3HB       LYS  72  -7.858  -9.726  -4.623
  144   1HG   LYS  72          2HG       LYS  72  -6.275  -9.129  -6.133
  145   2HG   LYS  72          3HG       LYS  72  -5.768 -10.796  -6.320
  146   1HD   LYS  72          2HD       LYS  72  -8.083 -10.880  -7.765
  147   2HD   LYS  72          3HD       LYS  72  -7.675  -9.191  -7.988
  148   1HE   LYS  72          2HE       LYS  72  -5.437  -9.801  -8.848
  149   2HE   LYS  72          3HE       LYS  72  -5.739 -11.495  -8.520
  150   1HZ   LYS  72          1HZ       LYS  72  -6.348 -11.367 -10.675
  151   2HZ   LYS  72          2HZ       LYS  72  -7.799 -11.016 -10.015
  152   3HZ   LYS  72          3HZ       LYS  72  -6.856  -9.817 -10.598
  153    H    SER  73           HN       SER  73  -5.046 -13.292  -4.331
  154    HA   SER  73           HA       SER  73  -5.364 -14.535  -6.814
  155   1HB   SER  73          2HB       SER  73  -3.576 -14.822  -4.435
  156   2HB   SER  73          3HB       SER  73  -3.707 -16.238  -5.459
  157    HG   SER  73           HG       SER  73  -3.394 -14.315  -7.210
  158    H    LYS  74           HN       LYS  74  -5.414 -17.097  -6.934
  159    HA   LYS  74           HA       LYS  74  -7.680 -17.939  -5.276
  160   1HB   LYS  74          2HB       LYS  74  -7.910 -17.786  -7.808
  161   2HB   LYS  74          3HB       LYS  74  -6.794 -19.133  -7.912
  162   1HG   LYS  74          2HG       LYS  74  -8.379 -20.366  -6.259
  163   2HG   LYS  74          3HG       LYS  74  -9.536 -19.091  -6.587
  164   1HD   LYS  74          2HD       LYS  74  -8.991 -19.674  -9.138
  165   2HD   LYS  74          3HD       LYS  74  -8.456 -21.201  -8.465
  166   1HE   LYS  74          2HE       LYS  74 -10.639 -21.651  -7.503
  167   2HE   LYS  74          3HE       LYS  74 -11.187 -20.015  -7.810
  168   1HZ   LYS  74          1HZ       LYS  74 -11.590 -20.490  -9.937
  169   2HZ   LYS  74          2HZ       LYS  74 -10.275 -21.439 -10.127
  170   3HZ   LYS  74          3HZ       LYS  74 -11.627 -22.045  -9.440
  171    H    PHE  75           HN       PHE  75  -4.417 -18.826  -6.495
  172    HA   PHE  75           HA       PHE  75  -4.365 -20.874  -4.393
  173   1HB   PHE  75          2HB       PHE  75  -3.144 -20.787  -7.217
  174   2HB   PHE  75          3HB       PHE  75  -2.749 -22.032  -6.049
  175    HD1  PHE  75           HD1      PHE  75  -5.121 -22.990  -4.925
  176    HD2  PHE  75           HD2      PHE  75  -4.555 -21.526  -8.868
  177    HE1  PHE  75           HE1      PHE  75  -7.080 -24.349  -5.711
  178    HE2  PHE  75           HE2      PHE  75  -6.514 -22.886  -9.653
  179    HZ   PHE  75           HZ       PHE  75  -7.753 -24.281  -8.066
  180    H    ASP  76           HN       ASP  76  -2.444 -21.044  -3.172
  181    HA   ASP  76           HA       ASP  76  -0.436 -19.041  -3.830
  182   1HB   ASP  76          2HB       ASP  76  -0.277 -18.332  -1.568
  183   2HB   ASP  76          3HB       ASP  76  -2.002 -18.442  -1.860
  184    H    LYS  77           HN       LYS  77   1.508 -19.616  -1.957
  185    HA   LYS  77           HA       LYS  77   2.853 -21.741  -2.816
  186   1HB   LYS  77          2HB       LYS  77   3.467 -19.942  -1.071
  187   2HB   LYS  77          3HB       LYS  77   2.835 -21.056   0.124
  188   1HG   LYS  77          2HG       LYS  77   4.792 -22.195   0.085
  189   2HG   LYS  77          3HG       LYS  77   4.507 -22.613  -1.593
  190   1HD   LYS  77          2HD       LYS  77   5.459 -19.827  -1.228
  191   2HD   LYS  77          3HD       LYS  77   6.600 -21.027  -0.654
  192   1HE   LYS  77          2HE       LYS  77   7.049 -21.813  -2.771
  193   2HE   LYS  77          3HE       LYS  77   5.378 -21.691  -3.285
  194   1HZ   LYS  77          1HZ       LYS  77   6.655 -20.095  -4.441
  195   2HZ   LYS  77          2HZ       LYS  77   5.713 -19.271  -3.392
  196   3HZ   LYS  77          3HZ       LYS  77   7.300 -19.482  -3.072
  197    H    ASP  78           HN       ASP  78   3.164 -23.967  -2.208
  198    HA   ASP  78           HA       ASP  78   2.508 -25.970  -1.708
  199   1HB   ASP  78          2HB       ASP  78   2.451 -25.452   0.619
  200   2HB   ASP  78          3HB       ASP  78   1.039 -24.428   0.451
  201    H    GLY  79           HN       GLY  79   0.769 -23.870  -3.355
  202   1HA   GLY  79          1HA       GLY  79  -1.101 -23.899  -4.598
  203   2HA   GLY  79          2HA       GLY  79  -1.100 -25.641  -4.406
  204    H    ASN  80           HN       ASN  80  -1.447 -23.049  -1.895
  205    HA   ASN  80           HA       ASN  80  -3.741 -24.442  -0.904
  206   1HB   ASN  80          2HB       ASN  80  -2.017 -22.127   0.017
  207   2HB   ASN  80          3HB       ASN  80  -3.620 -22.282   0.709
  208   1HD2  ASN  80          1HD2      ASN  80  -0.422 -23.229   0.876
  209   2HD2  ASN  80          2HD2      ASN  80  -0.549 -24.579   1.954
  210    HA   PRO  81           HA       PRO  81  -6.507 -21.689  -2.925
  211   1HB   PRO  81          2HB       PRO  81  -8.818 -22.272  -1.589
  212   2HB   PRO  81          3HB       PRO  81  -8.198 -23.250  -2.904
  213   1HG   PRO  81          2HG       PRO  81  -8.159 -23.810  -0.002
  214   2HG   PRO  81          3HG       PRO  81  -7.945 -24.924  -1.337
  215   1HD   PRO  81          2HD       PRO  81  -5.889 -23.854   0.352
  216   2HD   PRO  81          3HD       PRO  81  -5.664 -24.876  -1.054
  217    H    LEU  82           HN       LEU  82  -5.902 -19.603  -2.660
  218    HA   LEU  82           HA       LEU  82  -5.628 -18.286  -0.345
  219   1HB   LEU  82          2HB       LEU  82  -6.458 -17.478  -3.086
  220   2HB   LEU  82          3HB       LEU  82  -6.613 -16.289  -1.808
  221    HG   LEU  82           HG       LEU  82  -4.521 -15.838  -2.690
  222   1HD1  LEU  82          1HD1      LEU  82  -2.964 -16.236  -0.979
  223   2HD1  LEU  82          2HD1      LEU  82  -4.551 -16.281  -0.175
  224   3HD1  LEU  82          3HD1      LEU  82  -3.700 -17.799  -0.549
  225   1HD2  LEU  82          1HD2      LEU  82  -2.865 -17.471  -3.374
  226   2HD2  LEU  82          2HD2      LEU  82  -3.894 -18.801  -2.790
  227   3HD2  LEU  82          3HD2      LEU  82  -4.421 -17.808  -4.170
  228    HA   PRO  83           HA       PRO  83  -9.496 -17.799   1.504
  229   1HB   PRO  83          2HB       PRO  83  -9.277 -15.390   2.777
  230   2HB   PRO  83          3HB       PRO  83  -8.580 -16.871   3.402
  231   1HG   PRO  83          2HG       PRO  83  -7.225 -14.593   2.093
  232   2HG   PRO  83          3HG       PRO  83  -6.532 -15.859   3.087
  233   1HD   PRO  83          2HD       PRO  83  -6.399 -15.655   0.229
  234   2HD   PRO  83          3HD       PRO  83  -5.807 -16.978   1.214
  235    HA   PRO  84           HA       PRO  84 -12.194 -15.599  -0.920
  236   1HB   PRO  84          2HB       PRO  84 -14.467 -15.581   0.597
  237   2HB   PRO  84          3HB       PRO  84 -13.972 -16.955  -0.372
  238   1HG   PRO  84          2HG       PRO  84 -13.824 -16.606   2.559
  239   2HG   PRO  84          3HG       PRO  84 -13.742 -18.086   1.625
  240   1HD   PRO  84          2HD       PRO  84 -11.545 -16.703   2.845
  241   2HD   PRO  84          3HD       PRO  84 -11.451 -18.117   1.814