*HEADER    HYDROLASE INHIBITOR                     14-AUG-12   2LX5              
*TITLE     NMR SOLUTION STRUCTURE OF PEPTIDE EPSILON(103-120) FROM MYCOBACTERIUM 
*TITLE    2 TUBERCULOSIS F-ATPSYNTHASE                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ATP SYNTHASE EPSILON CHAIN;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 103-120;                                      
*COMPND   5 SYNONYM: ATP SYNTHASE F1 SECTOR EPSILON SUBUNIT, F-ATPASE EPSILON    
*COMPND   6 SUBUNIT;                                                             
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS;                     
*SOURCE   4 ORGANISM_TAXID: 1773                                                 
*KEYWDS    F-ATPSYNTHASE, EPSILON SUBUNIT, ALPHA HELIX, COUPLING SUBUNIT,        
*KEYWDS   2 HYDROLASE INHIBITOR                                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.BASAK, S.RISHIKESAN, G.GRUBER                                       
*REVDAT   1   07-NOV-12 2LX5    0                                                


 15 VAL  H      15 VAL  HA      3.02            2.00     #peak     1
 16 GLY  H      16 GLY  HA3     2.90            2.00     #peak     2
 16 GLY  H      16 GLY  HA2     2.93            2.00     #peak     3
 15 VAL  H      15 VAL  HB      3.11            2.00     #peak     4
 15 VAL  HB     16 GLY  H       3.70            2.00     #peak     9
 17 ALA  H      17 ALA  HA      3.14            2.00     #peak    10
 16 GLY  HA3    17 ALA  H       3.27            2.00     #peak    11
 16 GLY  HA2    17 ALA  H       4.00            2.00     #peak    12
 18 ILE  H      18 ILE  HA      3.08            2.00     #peak    13
 17 ALA  HA     18 ILE  H       4.00            2.00     #peak    14
 15 VAL  HA     16 GLY  H       4.00            2.00     #peak    17
 18 ILE  H      18 ILE  HB      3.52            2.00     #peak    18
  4 ILE  H       4 ILE  HA      3.17            2.00     #peak    23
 14 ALA  H      14 ALA  HA      2.99            2.00     #peak    24
 13 ARG  H      13 ARG  HA      2.95            2.00     #peak    25
  4 ILE  H       4 ILE  HB      2.90            2.00     #peak    28
  3 ARG  H       3 ARG  HA      3.21            2.00     #peak    33
  3 ARG  H       3 ARG  HB2     3.27            2.00     #peak    35
  3 ARG  H       3 ARG  HB3     3.58            2.00     #peak    36
  3 ARG  HB2     4 ILE  H       3.73            2.00     #peak    40
  3 ARG  HB3     4 ILE  H       4.40            2.00     #peak    41
  5 ALA  H       5 ALA  HA      2.90            2.00     #peak    49
  4 ILE  HB      5 ALA  H       3.05            2.00     #peak    50
  9 ARG  H       9 ARG  HA      2.90            2.00     #peak    56
 12 LEU  H      12 LEU  HA      2.90            2.00     #peak    57
 14 ALA  HA     17 ALA  H       4.00            2.00     #peak    58
 11 ARG  HA     12 LEU  H       4.00            2.00     #peak    59
 11 ARG  H      11 ARG  HA      2.90            2.00     #peak    60
  3 ARG  HA      4 ILE  H       4.00            2.00     #peak    61
  8 GLY  H       8 GLY  HA2     2.90            2.00     #peak    62
  9 ARG  H       9 ARG  HB3     3.30            2.00     #peak    64
  9 ARG  H       9 ARG  HB2     2.90            2.00     #peak    65
 11 ARG  H      11 ARG  HB2     2.96            2.00     #peak    66
 11 ARG  H      11 ARG  HB3     2.80            2.00     #peak    67
  8 GLY  H      7 ARG  HB2     3.60            2.00      #peak    69
  8 GLY  HA2     9 ARG  H       4.00            2.00     #peak    71
 13 ARG  H      13 ARG  HB3     2.90            2.00     #peak    82
 13 ARG  H      13 ARG  HB2     2.86            2.00     #peak    83
 13 ARG  HA     16 GLY  H       4.00            2.00     #peak    84
 13 ARG  HA     14 ALA  H       4.00            2.00     #peak    85
  7 ARG  H       7 ARG  HA      2.90            2.00     #peak    87
  8 GLY  HA2    11 ARG  H       4.00            2.00     #peak    88
  4 ILE  HA      7 ARG  H       4.10            2.00     #peak    89
  4 ILE  HA      5 ALA  H       4.00            2.00     #peak    90
  7 ARG  H       7 ARG  HB2     2.90            2.00     #peak    95
  7 ARG  H       7 ARG  HB3     3.30            2.00     #peak    96
 12 LEU  H      12 LEU  HB2     2.90            2.00     #peak    98
  7 ARG  HB3     8 GLY  H       5.00            2.00     #peak    99
  6 ALA  H       6 ALA  HA      2.90            2.00     #peak   105
 10 ALA  H      10 ALA  HA      2.95            2.00     #peak   106
 11 ARG  HB3    12 LEU  H       3.36            2.00     #peak   109
 11 ARG  HB2    12 LEU  H       3.39            2.00     #peak   110
 12 LEU  HB2    13 ARG  H       3.39            2.00     #peak   112
  3 ARG  HA      6 ALA  H       4.34            2.00     #peak   113
  5 ALA  HA      8 GLY  H       4.20            2.00     #peak   114
 12 LEU  HA     15 VAL  HB      4.26            2.00     #peak   115
  1 ASP  H       1 ASP  HB2     4.88            2.00     #peak   117
  1 ASP  H       1 ASP  HB3     5.00            2.00     #peak   118
  1 ASP  HB2     4 ILE  H       5.50            2.00     #peak   119
  1 ASP  HB3     4 ILE  H       5.50            2.00     #peak   120
  3 ARG  H       4 ILE  HA      4.90            2.00     #peak   125
  2 PRO  HB2     3 ARG  H       4.63            2.00     #peak   126
  1 ASP  HB3     2 PRO  HA      4.70            2.00     #peak   128
  3 ARG  HB2     4 ILE  HA      4.55            2.00     #peak   130
  7 ARG  HA      8 GLY  H       4.00            2.00     #peak   150
  4 ILE  H       5 ALA  H       2.90            2.00     #peak   151
 17 ALA  H      18 ILE  H       3.11            2.00     #peak   152
  3 ARG  H       4 ILE  H       2.90            2.00     #peak   153
  4 ILE  H       6 ALA  H       4.50            2.00     #peak   154
  5 ALA  H       6 ALA  H       2.96            2.00     #peak   155
 12 LEU  H      13 ARG  H       3.24            2.00     #peak   156
 15 VAL  H      16 GLY  H       2.80            2.00     #peak   157
  9 ARG  H      10 ALA  H       2.99            2.00     #peak   158
 14 ALA  H      15 VAL  H       2.93            2.00     #peak   159
  8 GLY  H       9 ARG  H       3.14            2.00     #peak   160
  7 ARG  H       8 GLY  H       3.00            2.00     #peak   161
  3 ARG  H       5 ALA  H       4.35            2.00     #peak   163
 10 ALA  H      11 ARG  H       2.96            2.00     #peak   164
 15 VAL  HA     18 ILE  H       4.57            2.00     #peak   180
  2 PRO  HA      6 ALA  H       6.00            2.00     #peak   181
  2 PRO  HA      3 ARG  H       3.73            2.00     #peak   182
  2 PRO  HA      5 ALA  H       4.05            2.00     #peak   183
  4 ILE  HA      6 ALA  H       4.50            2.00     #peak   185
 18 ILE  H      18 ILE  HG12    5.19            2.00     #peak    19
 18 ILE  H      18 ILE  HG13    5.10            2.00     #peak    20
  4 ILE  H       4 ILE  HG12    3.95            2.00     #peak    29
  4 ILE  H       4 ILE  HG13    4.29            2.00     #peak    30
  2 PRO  HG3     3 ARG  H       4.38            2.00     #peak    34
  3 ARG  H       3 ARG  HG2     3.36            2.00     #peak    37
  3 ARG  H       3 ARG  HD2     5.50            2.00     #peak    38
  3 ARG  H       3 ARG  HD3     5.50            2.00     #peak    39
  3 ARG  HG2     4 ILE  H       5.50            2.00     #peak    42
  3 ARG  HG2     3 ARG  HE      4.00            2.00     #peak    43
  3 ARG  HB3     3 ARG  HE      4.38            2.00     #peak    44
  3 ARG  HB2     3 ARG  HE      4.00            2.00     #peak    45
  3 ARG  HD3     3 ARG  HE      4.82            2.00     #peak    46
  3 ARG  HD2     3 ARG  HE      4.54            2.00     #peak    47
  4 ILE  HG12    5 ALA  H       5.50            2.00     #peak    51
  4 ILE  HG13    5 ALA  H       5.50            2.00     #peak    52
  9 ARG  H       9 ARG  HG2     4.60            2.00     #peak    63
 11 ARG  H      11 ARG  HG2     4.50            2.00     #peak    68
  9 ARG  H       9 ARG  HD2     5.19            2.00     #peak    70
 12 LEU  H      12 LEU  HG      3.64            2.00     #peak    74
 12 LEU  HG     13 ARG  H       4.42            2.00     #peak    75
 13 ARG  H      13 ARG  HG3     4.51            2.00     #peak    76
 13 ARG  H      13 ARG  HG2     4.11            2.00     #peak    77
 11 ARG  HD2    12 LEU  H       6.00            2.00     #peak    78
 13 ARG  H      13 ARG  HD2     5.22            2.00     #peak    79
  7 ARG  H       7 ARG  HD2     4.97            2.00     #peak    80
 11 ARG  H      11 ARG  HG3     4.29            2.00     #peak    81
  7 ARG  H       7 ARG  HG2     4.54            2.00     #peak    97
 11 ARG  HG2    12 LEU  H       3.27            2.00     #peak   108
 11 ARG  HG3    12 LEU  H       5.47            2.00     #peak   111
  2 PRO  HD3     3 ARG  H       5.50            2.00     #peak   121
  2 PRO  HD3     2 PRO  HA      5.34            2.00     #peak   122
  2 PRO  HD2     3 ARG  H       4.26            2.00     #peak   124
  2 PRO  HG2     2 PRO  HD3     4.01            2.00     #peak   127
  1 ASP  HB3     2 PRO  HD3     5.50            2.00     #peak   129
 17 ALA  H      18 ILE  HG13    5.50            2.00     #peak   132
  3 ARG  HB3     3 ARG  HD2     4.88            2.00     #peak   135
  3 ARG  HB2     3 ARG  HD2     6.00            2.00     #peak   136
  1 ASP  HB2     2 PRO  HD3     6.00            2.00     #peak   137
  1 ASP  HB2     4 ILE  HB      6.00            2.00     #peak   138
  1 ASP  HB3     4 ILE  HB      6.00            2.00     #peak   139
  1 ASP  HB2     4 ILE  HG12    6.00            2.00     #peak   140
  1 ASP  HB3     4 ILE  HG12    6.00            2.00     #peak   141
  1 ASP  HB2     4 ILE  HG13    6.00            2.00     #peak   142
  1 ASP  HB3     4 ILE  HG13    6.00            2.00     #peak   143
 11 ARG  H      11 ARG  HD2     4.97            2.00     #peak   147
  7 ARG  HD2     8 GLY  H       5.50            2.00     #peak   148
  7 ARG  HG2     8 GLY  H       5.50            2.00     #peak   149
  3 ARG  H       3 ARG  HE      5.10            2.00     #peak   162
 13 ARG  HA     13 ARG  HE      5.50            2.00     #peak   165
 11 ARG  HB2    11 ARG  HE      5.50            2.00     #peak   166
 11 ARG  HB3    11 ARG  HE      5.50            2.00     #peak   167
 11 ARG  HG2    11 ARG  HE      5.50            2.00     #peak   168
 11 ARG  HG3    11 ARG  HE      5.50            2.00     #peak   169
 11 ARG  HD2    11 ARG  HE      4.88            2.00     #peak   170
 11 ARG  HA     11 ARG  HE      5.50            2.00     #peak   171
  7 ARG  HB2     7 ARG  HE      5.10            2.00     #peak   172
  7 ARG  HB3     7 ARG  HE      5.50            2.00     #peak   173
 13 ARG  HG3    13 ARG  HE      5.50            2.00     #peak   174
  3 ARG  H       4 ILE  HG13    5.50            2.00     #peak   176
 15 VAL  H      15 VAL  QG1     4.50            2.00     #peak     5
 15 VAL  H      15 VAL  QG2     4.69            2.00     #peak     6
 15 VAL  QG2    16 GLY  H       5.87            2.00     #peak     7
 15 VAL  QG1    16 GLY  H       5.71            2.00     #peak     8
 17 ALA  H      17 ALA  QB      4.00            2.00     #peak    15
 17 ALA  QB     18 ILE  H       5.46            2.00     #peak    16
 18 ILE  H      18 ILE  QG2     6.52            2.00     #peak    21
 18 ILE  H      18 ILE  QD1     6.52            2.00     #peak    22
  3 ARG  H       6 ALA  QB      5.00            2.00     #peak    26
 14 ALA  H      14 ALA  QB      4.00            2.00     #peak    27
  4 ILE  H       4 ILE  QG2     5.34            2.00     #peak    31
  4 ILE  H       4 ILE  QD1     6.49            2.00     #peak    32
  5 ALA  H       5 ALA  QB      3.57            2.00     #peak    48
  4 ILE  QG2     5 ALA  H       5.03            2.00     #peak    53
 14 ALA  QB     15 VAL  H       4.35            2.00     #peak    54
  6 ALA  QB      7 ARG  H       4.19            2.00     #peak    55
 12 LEU  H      12 LEU  QD2     5.46            2.00     #peak    72
 12 LEU  H      12 LEU  QD1     5.40            2.00     #peak    73
 10 ALA  H      10 ALA  QB      3.51            2.00     #peak    91
  6 ALA  H       6 ALA  QB      3.60            2.00     #peak    92
 12 LEU  QD1    13 ARG  H       6.52            2.00     #peak    93
 12 LEU  QD2    13 ARG  H       6.52            2.00     #peak    94
 14 ALA  H      15 VAL  QG1     6.49            2.00     #peak   100
 14 ALA  H      15 VAL  QG2     6.52            2.00     #peak   101
 11 ARG  H      12 LEU  QD1     6.00            2.00     #peak   102
 11 ARG  H      12 LEU  QD2     6.00            2.00     #peak   103
  4 ILE  QG2     6 ALA  H       6.00            2.00     #peak   104
  9 ARG  H      10 ALA  QB      5.71            2.00     #peak   107
 14 ALA  HA     17 ALA  QB      6.21            2.00     #peak   116
 12 LEU  HA     15 VAL  QG1     5.28            2.00     #peak   131
  4 ILE  QG2     7 ARG  H       6.00            2.00     #peak   133
 12 LEU  HA     15 VAL  QG2     6.08            2.00     #peak   134
 11 ARG  HD2    12 LEU  QD1     6.00            2.00     #peak   146
  4 ILE  H       5 ALA  QB      6.52            2.00     #peak   175
  3 ARG  H       4 ILE  QG2     6.52            2.00     #peak   177
 15 VAL  HA     18 ILE  QD1     6.00            2.00     #peak   189
 14 ALA  QB     13 ARG  HE      5.50            2.00
 5 ALA   HA      4 ILE  H       4.80            2.00
 9 ARG  HB2      8 GLY  H       5.00            2.00
 9 ARG  HB3      8 GLY  H       5.00            2.00
 9 ARG  HB3     10 ALA  H       5.00            2.00
 10 ALA  QB     11 ARG  H       5.00            2.00
 8 GLY   HA2     7 ARG  H       4.82            2.00
 10 ALA  HA      9 ARG  H       5.10            2.00
 7 ARG  HB2      8 GLY  HA2     5.30            2.00     
 7 ARG  HB3      8 GLY  HA      4.10            2.00     
 7 ARG  HG2      8 GLY  HA2     5.80            2.00
 4  ILE  HB      3 ARG  HA      5.65            2.00
 11 ARG  HA     14 ALA  H       4.00            2.00
 9 ARG   HA     12 LEU  H       4.00            2.00
 6 ALA HA        9 ARG  H       4.00            2.00
 5 ALA  HA       6 ALA  H       4.00            2.00
 8 GLY HA2      10 ALA  H       5.00            2.00
11 ARG  H       13 ARG  H       4.50            2.00
   3 ARG    PHI     -97.00   -37.00
   3 ARG    PSI     -64.61   -4.61
   4 ILE    PHI     -106.06   -40.06
   4 ILE    PSI     -66.40   -6.40
   6 ALA    PHI     -99.53    -39.53
   6 ALA    PSI     -62.99   -2.99
   7 ARG    PHI     -109.39   -49.39
   7 ARG    PSI     -54.38   5.62
   10 ALA   PHI     -92.86   -32.86
   10 ALA   PSI     -67.50   -7.50
   11 ARG   PHI     -91.11   -31.11
   11 ARG   PSI     -70.86   -10.86
   12 LEU   PHI     -96.90   -36.90
   12 LEU   PSI     -57.36   2.64
   13 ARG   PHI     -94.97   -34.97
   13 ARG   PSI     -64.13   -4.13
   14 ALA   PHI     -99.63   -39.63
   14 ALA   PSI     -65.95   -35.95
# ------ read input files ------

read seq tb.seq
read upl submission.upl   # read upper distance bounds
read aco tb.aco   # read dihedral angle restraints


# ------ structure calculation ------

calc_all 100 steps=40000   # calculate conformers


# ------ structure calculation ------

overview demo.ovw structures=40 pdb # write overview file and 40 best conformers
name:= tb
rmsdrange:=1..18
cyanalib
read seq tb.seq 



# Copyright (c) 2002-05 Peter Guntert. All rights reserved.
## 7MACROS: caliba - CYANA macro
##
## Parameters: dmin=dmin                 (default: 2.4)
##             dmax=dmax                 (default: 5.5)
##             vmin=Vmin                 (default: 0.0)
##             bb=A                      (default: calculated automatically)
##             sc=B                      (default: A/dmin2)
##             methyl=C                  (default: B/3)
##             weight=w                  (default: 1.0)
##             avedis=d                  (default: 3.4)
##             plot=file                 (required)
##
## Calibrates a peak list, i.e. derives upper limit distance constraints from
## all assigned peaks and adds them to the list of current distance
## constraints. The values dmin and dmax give the minimal and the maximal
## value in A for a distance constraints before possible pseudo atom
## corrections are added. Optionally, only peaks with volume larger than Vmin
## or from a peak list with given filename (without extension) may be
## considered. Peaks are classified into three calibration classes:
## class        peaks/constraints       function
## backbone     all  HN/Ha - HN/Ha, and  HN/Ha - Hb between residues (i, j) with
## |i - j| < 5  V = A/d6
## sidechain    not "backbone" and not "methyl" V = B/d4
## methyl       all involving methyl groups     V = C/d4
##
## The parameters A, B and C are either given by the user or calculated
## automatically as follows:
## The function calsca is used to calculate A by assuming an average distance
## of d A for all constraints from the class "backbone". By default, the
## scalar B is set to B = A/dmin2 in order to intersect the backbone
## calibration curve at dmin, and C is set to B/3 (see also Mumenthaler et
## al., 1997).
## Optionally, the resulting distance constraints may be given the relative
## weight w. Also optionally, a logarithmic plot of volumes versus
## corresponding minimal distances in the selected structures can be
## created.

var echo plt f

syntax dmin=@r=2.4 dmax=@r=5.5 vmin=@r=100.0 bb=@r=-1.0 sc=@r=-1.0 \
       methyl=@r=-1.0 weight=@r=1.0 avedis=@r=3.4 plot=@f.ps=

echo:=off
plt='$plot'.ne.' '

print
print "    Calibration class: backbone"
print
peaks select "H HN HA* HB* QA QB - METHYL, H HN HA* QA - METHYL levels=0..4" info=none
peaks select "+ H HN HA* QA      - METHYL, H HN HA* QA - METHYL levels=5.." info=none
peaks select "/ *,*"
f:=1/d**6
if (bb.le.0.0) bb=calscale('$f',avedis,vmin)
print "    Calibration function: $bb(1PE10.2) * $f"
calibrate bb*$f $dmin $dmax weight=$weight \
          plot=$if(plt,'caliba_bb.grf',' ') log dmin qfactor

print
print "    Calibration class: side-chain"
print
peaks select "! - METHYL, *"
peaks select "/ *, *"
f:=1/d**4
if (sc.le.0.0) sc=bb/(dmin)**2
print "    Calibration function: $sc(1PE10.2) * $f"
calibrate sc*$f $dmin $dmax weight=$weight \
          plot=$if(plt,'caliba_sc.grf',' ') log dmin qfactor

print
print "    Calibration class: methyl"
print
peaks select "METHYL ,*" info=none
peaks select "/ *, *"
f:=1/d**4
if (methyl.le.0.0) methyl=sc/3.0
print "    Calibration function: $methyl(1PE10.2) * $f"
calibrate methyl*$f $dmin $dmax weight=$weight \
          plot=$if(plt,'caliba_me.grf',' ') log dmin qfactor
print

if (plt) then
  print "x0=-160 y0=150 x1=210 y1=350"     >$plot(1:indexr('$plot','.'))grf
  print "marksize=4"                       >>
  print file=caliba_bb.grf                 >>
  print " "                                >>
  print "x0=-160 y0=-100 x1=210 y1=100"    >>
  print file=caliba_sc.grf                 >>
  print " "                                >>
  print "x0=-160 y0=-350 x1=210 y1=-150"   >>
  print file=caliba_me.grf                 >>
  print " "                                >>
  print "X0=0 X1=100 Y0=0 Y1=100 "         >>
  print "x0=-250 x1=250 y0=-350 y1=350 "   >>
  print "clip off "                        >>
  print "rotate=on "                       >>
  print "textsize=14 "                     >>
  print "weight=bold "                     >>
  print "text 6 78 \"Backbone class\" "    >>
  print "text 6 42 \"Side-chain class\" "  >>
  print "text 6 5 \"Methyl group class\" " >>
  print "rotate=off "                      >>.
  graf $plot replace
  remove caliba_bb.grf caliba_sc.grf caliba_me.grf
end if

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1           H        ASP   1   1.486   0.398   0.980
    2    HA   ASP   1           HA       ASP   1   1.246  -0.951  -1.545
    3    HB2  ASP   1           2HB      ASP   1   1.128   1.947  -1.441
    4    HB3  ASP   1           3HB      ASP   1   2.511   1.393  -2.381
    5    HA   PRO   2           HA       PRO   2   5.465  -1.896  -0.813
    6    HB2  PRO   2           2HB      PRO   2   6.487  -2.011  -3.325
    7    HB3  PRO   2           3HB      PRO   2   5.391  -3.237  -2.677
    8    HG2  PRO   2           2HG      PRO   2   4.792  -0.923  -4.479
    9    HG3  PRO   2           3HG      PRO   2   4.206  -2.594  -4.572
   10    HD2  PRO   2           2HD      PRO   2   2.711  -0.581  -3.550
   11    HD3  PRO   2           3HD      PRO   2   2.594  -2.251  -2.960
   12    H    ARG   3           H        ARG   3   4.709   0.963  -2.648
   13    HA   ARG   3           HA       ARG   3   7.423   1.995  -2.452
   14    HB2  ARG   3           2HB      ARG   3   4.919   3.251  -3.592
   15    HB3  ARG   3           3HB      ARG   3   6.538   3.929  -3.696
   16    HG2  ARG   3           2HG      ARG   3   6.890   1.425  -4.736
   17    HG3  ARG   3           3HG      ARG   3   5.269   1.847  -5.292
   18    HD2  ARG   3           2HD      ARG   3   7.408   3.894  -5.542
   19    HD3  ARG   3           3HD      ARG   3   7.445   2.522  -6.649
   20    HE   ARG   3           HE       ARG   3   4.851   3.561  -6.633
   21   HH11  ARG   3          1HH1      ARG   3   8.063   4.480  -7.614
   22   HH12  ARG   3          2HH1      ARG   3   7.517   5.510  -8.896
   23   HH21  ARG   3          1HH2      ARG   3   4.121   4.914  -8.317
   24   HH22  ARG   3          2HH2      ARG   3   5.275   5.757  -9.294
   25    H    ILE   4           H        ILE   4   4.816   1.803  -0.443
   26    HA   ILE   4           HA       ILE   4   5.264   4.419   0.803
   27    HB   ILE   4           HB       ILE   4   3.129   2.342   1.298
   28   HG12  ILE   4          2HG1      ILE   4   2.955   5.130   0.136
   29   HG13  ILE   4          3HG1      ILE   4   2.925   3.643  -0.805
   30   HG21  ILE   4          1HG2      ILE   4   3.641   4.987   2.642
   31   HG22  ILE   4          2HG2      ILE   4   2.108   4.121   2.740
   32   HG23  ILE   4          3HG2      ILE   4   3.576   3.391   3.388
   33   HD11  ILE   4          3HD1      ILE   4   0.700   4.050  -0.656
   34   HD12  ILE   4          1HD1      ILE   4   0.911   3.090   0.808
   35   HD13  ILE   4          2HD1      ILE   4   0.836   4.849   0.911
   36    H    ALA   5           H        ALA   5   5.821   1.030   1.253
   37    HA   ALA   5           HA       ALA   5   6.435   1.262   4.068
   38    HB1  ALA   5           1HB      ALA   5   6.632  -1.030   4.098
   39    HB2  ALA   5           2HB      ALA   5   5.499  -0.798   2.766
   40    HB3  ALA   5           3HB      ALA   5   7.202  -1.111   2.430
   41    H    ALA   6           H        ALA   6   8.151   1.261   1.026
   42    HA   ALA   6           HA       ALA   6  10.740   0.710   1.901
   43    HB1  ALA   6           1HB      ALA   6   9.514   1.603  -0.485
   44    HB2  ALA   6           2HB      ALA   6  10.856   2.694  -0.138
   45    HB3  ALA   6           3HB      ALA   6  11.141   0.958  -0.265
   46    H    ARG   7           H        ARG   7   8.781   3.527   2.328
   47    HA   ARG   7           HA       ARG   7  11.069   5.149   3.148
   48    HB2  ARG   7           2HB      ARG   7   8.614   5.739   1.921
   49    HB3  ARG   7           3HB      ARG   7   8.502   6.414   3.541
   50    HG2  ARG   7           2HG      ARG   7  10.815   7.436   3.031
   51    HG3  ARG   7           3HG      ARG   7  10.417   7.088   1.347
   52    HD2  ARG   7           2HD      ARG   7   8.197   8.343   2.692
   53    HD3  ARG   7           3HD      ARG   7   9.657   9.320   2.847
   54    HE   ARG   7           HE       ARG   7   9.433   8.525   0.182
   55   HH11  ARG   7          1HH1      ARG   7   7.752  10.525   2.484
   56   HH12  ARG   7          2HH1      ARG   7   7.130  11.609   1.284
   57   HH21  ARG   7          1HH2      ARG   7   8.619   9.945  -1.406
   58   HH22  ARG   7          2HH2      ARG   7   7.623  11.277  -0.929
   59    H    GLY   8           H        GLY   8   8.455   3.308   4.468
   60    HA2  GLY   8           2HA      GLY   8   8.339   4.540   7.026
   61    HA3  GLY   8           3HA      GLY   8   7.746   2.936   6.624
   62    H    ARG   9           H        ARG   9  10.376   2.046   5.655
   63    HA   ARG   9           HA       ARG   9  11.396   1.120   8.161
   64    HB2  ARG   9           2HB      ARG   9  11.376  -0.238   6.064
   65    HB3  ARG   9           3HB      ARG   9  12.617   0.825   5.413
   66    HG2  ARG   9           2HG      ARG   9  14.213   0.095   6.984
   67    HG3  ARG   9           3HG      ARG   9  12.984  -0.698   7.973
   68    HD2  ARG   9           2HD      ARG   9  12.938  -1.708   5.274
   69    HD3  ARG   9           3HD      ARG   9  14.555  -1.847   5.965
   70    HE   ARG   9           HE       ARG   9  12.572  -2.767   7.781
   71   HH11  ARG   9          1HH1      ARG   9  14.335  -3.653   4.913
   72   HH12  ARG   9          2HH1      ARG   9  14.209  -5.356   5.203
   73   HH21  ARG   9          1HH2      ARG   9  12.399  -5.007   8.175
   74   HH22  ARG   9          2HH2      ARG   9  13.107  -6.126   7.059
   75    H    ALA  10           H        ALA  10  12.233   3.649   5.922
   76    HA   ALA  10           HA       ALA  10  14.887   4.122   6.642
   77    HB1  ALA  10           1HB      ALA  10  14.718   5.811   5.199
   78    HB2  ALA  10           2HB      ALA  10  13.047   5.302   4.952
   79    HB3  ALA  10           3HB      ALA  10  13.419   6.570   6.121
   80    H    ARG  11           H        ARG  11  11.910   4.896   8.278
   81    HA   ARG  11           HA       ARG  11  12.671   6.941   9.965
   82    HB2  ARG  11           2HB      ARG  11  10.384   5.886   9.761
   83    HB3  ARG  11           3HB      ARG  11  10.964   4.599  10.809
   84    HG2  ARG  11           2HG      ARG  11  11.389   6.230  12.579
   85    HG3  ARG  11           3HG      ARG  11  10.802   7.519  11.526
   86    HD2  ARG  11           2HD      ARG  11   8.808   5.555  11.506
   87    HD3  ARG  11           3HD      ARG  11   9.323   5.690  13.187
   88    HE   ARG  11           HE       ARG  11   8.389   7.783  13.273
   89   HH11  ARG  11          1HH1      ARG  11   8.624   6.758   9.955
   90   HH12  ARG  11          2HH1      ARG  11   7.685   8.080   9.344
   91   HH21  ARG  11          1HH2      ARG  11   7.151   9.528  12.481
   92   HH22  ARG  11          2HH2      ARG  11   6.848   9.655  10.781
   93    H    LEU  12           H        LEU  12  12.542   3.553  11.060
   94    HA   LEU  12           HA       LEU  12  14.116   3.907  13.322
   95    HB2  LEU  12           2HB      LEU  12  13.921   1.399  11.664
   96    HB3  LEU  12           3HB      LEU  12  14.363   1.506  13.366
   97    HG   LEU  12           HG       LEU  12  11.666   2.411  12.421
   98   HD11  LEU  12          1HD1      LEU  12  10.777   0.307  12.429
   99   HD12  LEU  12          2HD1      LEU  12  12.040  -0.345  13.472
  100   HD13  LEU  12          3HD1      LEU  12  12.374  -0.039  11.767
  101   HD21  LEU  12          3HD2      LEU  12  11.992   1.068  14.995
  102   HD22  LEU  12          1HD2      LEU  12  11.185   2.586  14.598
  103   HD23  LEU  12          2HD2      LEU  12  12.932   2.553  14.841
  104    H    ARG  13           H        ARG  13  15.036   3.292   9.997
  105    HA   ARG  13           HA       ARG  13  17.697   2.538  10.368
  106    HB2  ARG  13           2HB      ARG  13  16.181   2.739   8.208
  107    HB3  ARG  13           3HB      ARG  13  16.973   4.304   8.073
  108    HG2  ARG  13           2HG      ARG  13  18.386   1.650   8.249
  109    HG3  ARG  13           3HG      ARG  13  18.100   2.565   6.767
  110    HD2  ARG  13           2HD      ARG  13  19.744   3.440   9.139
  111    HD3  ARG  13           3HD      ARG  13  20.355   2.952   7.558
  112    HE   ARG  13           HE       ARG  13  18.691   5.023   6.996
  113   HH11  ARG  13          1HH1      ARG  13  21.392   4.600   9.152
  114   HH12  ARG  13          2HH1      ARG  13  21.887   6.258   9.067
  115   HH21  ARG  13          1HH2      ARG  13  19.334   7.208   6.875
  116   HH22  ARG  13          2HH2      ARG  13  20.715   7.741   7.772
  117    H    ALA  14           H        ALA  14  16.432   5.796   9.641
  118    HA   ALA  14           HA       ALA  14  18.844   7.169   9.909
  119    HB1  ALA  14           1HB      ALA  14  15.994   8.054  10.278
  120    HB2  ALA  14           2HB      ALA  14  17.360   9.166  10.386
  121    HB3  ALA  14           3HB      ALA  14  17.046   8.298   8.883
  122    H    VAL  15           H        VAL  15  16.343   6.475  12.330
  123    HA   VAL  15           HA       VAL  15  17.493   7.895  14.459
  124    HB   VAL  15           HB       VAL  15  15.776   5.412  14.578
  125   HG11  VAL  15          1HG1      VAL  15  15.175   6.634  16.837
  126   HG12  VAL  15          2HG1      VAL  15  16.550   5.534  16.728
  127   HG13  VAL  15          3HG1      VAL  15  16.806   7.277  16.654
  128   HG21  VAL  15          3HG2      VAL  15  15.195   8.097  13.786
  129   HG22  VAL  15          1HG2      VAL  15  14.116   6.705  13.869
  130   HG23  VAL  15          2HG2      VAL  15  14.340   7.732  15.285
  131    H    GLY  16           H        GLY  16  17.951   4.567  13.350
  132    HA2  GLY  16           2HA      GLY  16  19.433   3.547  15.458
  133    HA3  GLY  16           3HA      GLY  16  19.624   3.055  13.781
  134    H    ALA  17           H        ALA  17  20.556   5.476  12.707
  135    HA   ALA  17           HA       ALA  17  23.288   5.272  13.063
  136    HB1  ALA  17           1HB      ALA  17  23.397   7.550  12.019
  137    HB2  ALA  17           2HB      ALA  17  22.438   6.366  11.129
  138    HB3  ALA  17           3HB      ALA  17  21.636   7.599  12.103
  139    H    ILE  18           H        ILE  18  21.270   7.955  14.284
  140    HA   ILE  18           HA       ILE  18  23.345   8.587  16.238
  141    HB   ILE  18           HB       ILE  18  20.783  10.068  15.633
  142   HG12  ILE  18          2HG1      ILE  18  23.023  11.565  14.830
  143   HG13  ILE  18          3HG1      ILE  18  23.306   9.934  14.230
  144   HG21  ILE  18          1HG2      ILE  18  21.499  10.601  17.835
  145   HG22  ILE  18          2HG2      ILE  18  23.179  10.750  17.321
  146   HG23  ILE  18          3HG2      ILE  18  21.988  11.941  16.798
  147   HD11  ILE  18          3HD1      ILE  18  20.635  10.510  13.639
  148   HD12  ILE  18          1HD1      ILE  18  21.550  11.962  13.233
  149   HD13  ILE  18          2HD1      ILE  18  21.994  10.411  12.519
  Start of MODEL    2
    1    H1   ASP   1           H        ASP   1   1.646  -1.560   1.284
    2    HA   ASP   1           HA       ASP   1   1.646  -1.466  -1.159
    3    HB2  ASP   1           2HB      ASP   1   1.312   1.360  -0.466
    4    HB3  ASP   1           3HB      ASP   1   2.482   1.092  -1.755
    5    HA   PRO   2           HA       PRO   2   6.006  -1.932  -1.139
    6    HB2  PRO   2           2HB      PRO   2   6.662  -1.457  -3.730
    7    HB3  PRO   2           3HB      PRO   2   5.817  -2.918  -3.206
    8    HG2  PRO   2           2HG      PRO   2   4.705  -0.426  -4.438
    9    HG3  PRO   2           3HG      PRO   2   4.305  -2.119  -4.782
   10    HD2  PRO   2           2HD      PRO   2   2.756  -0.546  -3.215
   11    HD3  PRO   2           3HD      PRO   2   2.915  -2.294  -2.951
   12    H    ARG   3           H        ARG   3   4.760   1.047  -2.537
   13    HA   ARG   3           HA       ARG   3   7.330   2.382  -2.252
   14    HB2  ARG   3           2HB      ARG   3   4.663   3.435  -3.213
   15    HB3  ARG   3           3HB      ARG   3   6.183   4.318  -3.255
   16    HG2  ARG   3           2HG      ARG   3   6.835   2.033  -4.586
   17    HG3  ARG   3           3HG      ARG   3   5.149   2.262  -5.055
   18    HD2  ARG   3           2HD      ARG   3   6.940   4.629  -5.121
   19    HD3  ARG   3           3HD      ARG   3   7.159   3.402  -6.368
   20    HE   ARG   3           HE       ARG   3   4.448   3.956  -6.264
   21   HH11  ARG   3          1HH1      ARG   3   7.399   5.663  -6.971
   22   HH12  ARG   3          2HH1      ARG   3   6.649   6.765  -8.078
   23   HH21  ARG   3          1HH2      ARG   3   3.450   5.401  -7.719
   24   HH22  ARG   3          2HH2      ARG   3   4.403   6.616  -8.502
   25    H    ILE   4           H        ILE   4   4.818   1.639  -0.251
   26    HA   ILE   4           HA       ILE   4   4.971   4.131   1.284
   27    HB   ILE   4           HB       ILE   4   3.121   1.760   1.559
   28   HG12  ILE   4          2HG1      ILE   4   2.682   3.234  -0.376
   29   HG13  ILE   4          3HG1      ILE   4   1.392   3.315   0.819
   30   HG21  ILE   4          1HG2      ILE   4   3.080   2.423   3.718
   31   HG22  ILE   4          2HG2      ILE   4   3.687   4.037   3.348
   32   HG23  ILE   4          3HG2      ILE   4   1.985   3.653   3.086
   33   HD11  ILE   4          3HD1      ILE   4   1.637   5.502   0.990
   34   HD12  ILE   4          1HD1      ILE   4   3.348   5.323   1.379
   35   HD13  ILE   4          2HD1      ILE   4   2.832   5.433  -0.304
   36    H    ALA   5           H        ALA   5   5.952   0.810   1.333
   37    HA   ALA   5           HA       ALA   5   6.603   0.796   4.150
   38    HB1  ALA   5           1HB      ALA   5   6.824  -1.169   1.917
   39    HB2  ALA   5           2HB      ALA   5   7.764  -1.418   3.389
   40    HB3  ALA   5           3HB      ALA   5   6.005  -1.318   3.472
   41    H    ALA   6           H        ALA   6   8.231   1.350   1.109
   42    HA   ALA   6           HA       ALA   6  10.889   1.034   1.889
   43    HB1  ALA   6           1HB      ALA   6   9.503   2.030  -0.366
   44    HB2  ALA   6           2HB      ALA   6  10.710   3.234   0.089
   45    HB3  ALA   6           3HB      ALA   6  11.202   1.572  -0.239
   46    H    ARG   7           H        ARG   7   8.609   3.517   2.657
   47    HA   ARG   7           HA       ARG   7  10.699   5.312   3.632
   48    HB2  ARG   7           2HB      ARG   7   8.136   5.709   2.528
   49    HB3  ARG   7           3HB      ARG   7   8.026   6.214   4.209
   50    HG2  ARG   7           2HG      ARG   7  10.137   7.575   3.757
   51    HG3  ARG   7           3HG      ARG   7   9.806   7.284   2.049
   52    HD2  ARG   7           2HD      ARG   7   7.384   8.111   3.254
   53    HD3  ARG   7           3HD      ARG   7   8.646   9.215   3.799
   54    HE   ARG   7           HE       ARG   7   7.511   9.084   1.200
   55   HH11  ARG   7          1HH1      ARG   7  10.495   9.683   2.890
   56   HH12  ARG   7          2HH1      ARG   7  11.144  10.704   1.649
   57   HH21  ARG   7          1HH2      ARG   7   8.354  10.426  -0.440
   58   HH22  ARG   7          2HH2      ARG   7   9.925  11.126  -0.244
   59    H    GLY   8           H        GLY   8   8.368   3.019   4.761
   60    HA2  GLY   8           2HA      GLY   8   8.164   3.931   7.445
   61    HA3  GLY   8           3HA      GLY   8   7.766   2.319   6.867
   62    H    ARG   9           H        ARG   9  10.462   1.888   5.774
   63    HA   ARG   9           HA       ARG   9  11.696   1.007   8.246
   64    HB2  ARG   9           2HB      ARG   9  11.526  -0.478   6.249
   65    HB3  ARG   9           3HB      ARG   9  12.626   0.599   5.400
   66    HG2  ARG   9           2HG      ARG   9  14.070   0.090   7.619
   67    HG3  ARG   9           3HG      ARG   9  13.170  -1.420   7.464
   68    HD2  ARG   9           2HD      ARG   9  14.038  -0.772   4.879
   69    HD3  ARG   9           3HD      ARG   9  15.413  -0.463   5.940
   70    HE   ARG   9           HE       ARG   9  14.328  -3.009   5.231
   71   HH11  ARG   9          1HH1      ARG   9  15.984  -1.254   7.740
   72   HH12  ARG   9          2HH1      ARG   9  16.725  -2.665   8.419
   73   HH21  ARG   9          1HH2      ARG   9  15.296  -4.875   6.116
   74   HH22  ARG   9          2HH2      ARG   9  16.333  -4.724   7.494
   75    H    ALA  10           H        ALA  10  12.310   3.294   5.650
   76    HA   ALA  10           HA       ALA  10  14.960   3.951   6.201
   77    HB1  ALA  10           1HB      ALA  10  12.947   5.992   5.315
   78    HB2  ALA  10           2HB      ALA  10  14.649   5.851   4.875
   79    HB3  ALA  10           3HB      ALA  10  13.478   4.691   4.249
   80    H    ARG  11           H        ARG  11  11.972   5.092   7.683
   81    HA   ARG  11           HA       ARG  11  12.888   7.254   9.130
   82    HB2  ARG  11           2HB      ARG  11  10.513   6.407   8.968
   83    HB3  ARG  11           3HB      ARG  11  10.931   5.216  10.192
   84    HG2  ARG  11           2HG      ARG  11  11.469   7.012  11.759
   85    HG3  ARG  11           3HG      ARG  11  11.044   8.206  10.530
   86    HD2  ARG  11           2HD      ARG  11   9.126   6.099  11.495
   87    HD3  ARG  11           3HD      ARG  11   9.267   7.682  12.258
   88    HE   ARG  11           HE       ARG  11   8.888   8.067   9.518
   89   HH11  ARG  11          1HH1      ARG  11   7.156   6.844  12.279
   90   HH12  ARG  11          2HH1      ARG  11   5.597   7.272  11.655
   91   HH21  ARG  11          1HH2      ARG  11   6.842   8.635   8.685
   92   HH22  ARG  11          2HH2      ARG  11   5.420   8.289   9.610
   93    H    LEU  12           H        LEU  12  12.388   4.063  10.634
   94    HA   LEU  12           HA       LEU  12  13.895   4.531  12.908
   95    HB2  LEU  12           2HB      LEU  12  13.511   1.905  11.479
   96    HB3  LEU  12           3HB      LEU  12  14.015   2.102  13.157
   97    HG   LEU  12           HG       LEU  12  11.324   2.831  12.000
   98   HD11  LEU  12          1HD1      LEU  12  10.581   0.834  12.656
   99   HD12  LEU  12          2HD1      LEU  12  11.451   0.917  14.187
  100   HD13  LEU  12          3HD1      LEU  12  12.277   0.358  12.733
  101   HD21  LEU  12          3HD2      LEU  12  12.675   3.556  14.500
  102   HD22  LEU  12          1HD2      LEU  12  11.058   2.882  14.705
  103   HD23  LEU  12          2HD2      LEU  12  11.297   4.305  13.691
  104    H    ARG  13           H        ARG  13  14.928   3.664   9.700
  105    HA   ARG  13           HA       ARG  13  17.480   2.671  10.233
  106    HB2  ARG  13           2HB      ARG  13  16.105   2.953   7.989
  107    HB3  ARG  13           3HB      ARG  13  17.050   4.430   7.859
  108    HG2  ARG  13           2HG      ARG  13  18.189   1.660   8.176
  109    HG3  ARG  13           3HG      ARG  13  18.070   2.554   6.659
  110    HD2  ARG  13           2HD      ARG  13  19.344   4.373   8.180
  111    HD3  ARG  13           3HD      ARG  13  19.933   2.887   8.923
  112    HE   ARG  13           HE       ARG  13  20.698   3.942   6.401
  113   HH11  ARG  13          1HH1      ARG  13  20.111   0.954   8.089
  114   HH12  ARG  13          2HH1      ARG  13  21.189   0.031   7.097
  115   HH21  ARG  13          1HH2      ARG  13  22.121   2.737   5.088
  116   HH22  ARG  13          2HH2      ARG  13  22.333   1.045   5.391
  117    H    ALA  14           H        ALA  14  16.536   6.016   9.429
  118    HA   ALA  14           HA       ALA  14  19.099   7.122   9.849
  119    HB1  ALA  14           1HB      ALA  14  16.347   8.318   9.744
  120    HB2  ALA  14           2HB      ALA  14  17.783   9.298  10.039
  121    HB3  ALA  14           3HB      ALA  14  17.629   8.391   8.534
  122    H    VAL  15           H        VAL  15  16.312   6.679  11.968
  123    HA   VAL  15           HA       VAL  15  17.311   8.180  14.150
  124    HB   VAL  15           HB       VAL  15  15.340   5.890  14.181
  125   HG11  VAL  15          1HG1      VAL  15  16.166   7.905  16.238
  126   HG12  VAL  15          2HG1      VAL  15  14.557   7.181  16.269
  127   HG13  VAL  15          3HG1      VAL  15  15.988   6.158  16.400
  128   HG21  VAL  15          3HG2      VAL  15  14.208   7.376  12.890
  129   HG22  VAL  15          1HG2      VAL  15  13.819   8.064  14.467
  130   HG23  VAL  15          2HG2      VAL  15  15.115   8.762  13.495
  131    H    GLY  16           H        GLY  16  17.900   4.951  13.018
  132    HA2  GLY  16           2HA      GLY  16  18.992   3.978  15.496
  133    HA3  GLY  16           3HA      GLY  16  19.078   3.181  13.932
  134    H    ALA  17           H        ALA  17  20.205   5.805  12.841
  135    HA   ALA  17           HA       ALA  17  22.958   5.082  13.171
  136    HB1  ALA  17           1HB      ALA  17  22.430   5.830  11.027
  137    HB2  ALA  17           2HB      ALA  17  21.535   7.225  11.631
  138    HB3  ALA  17           3HB      ALA  17  23.295   7.189  11.746
  139    H    ILE  18           H        ILE  18  20.815   7.432  14.567
  140    HA   ILE  18           HA       ILE  18  22.760   9.239  15.544
  141    HB   ILE  18           HB       ILE  18  20.051   8.668  16.747
  142   HG12  ILE  18          2HG1      ILE  18  19.877   9.157  14.338
  143   HG13  ILE  18          3HG1      ILE  18  19.203  10.459  15.312
  144   HG21  ILE  18          1HG2      ILE  18  20.353  11.217  17.236
  145   HG22  ILE  18          2HG2      ILE  18  21.104  10.015  18.283
  146   HG23  ILE  18          3HG2      ILE  18  22.067  10.843  17.060
  147   HD11  ILE  18          3HD1      ILE  18  21.902  11.099  14.895
  148   HD12  ILE  18          1HD1      ILE  18  21.266  10.555  13.344
  149   HD13  ILE  18          2HD1      ILE  18  20.479  11.878  14.205
  Start of MODEL    3
    1    H1   ASP   1           H        ASP   1   1.611  -1.284   0.684
    2    HA   ASP   1           HA       ASP   1   1.904  -1.228  -1.694
    3    HB2  ASP   1           2HB      ASP   1   1.783   1.683  -1.104
    4    HB3  ASP   1           3HB      ASP   1   2.770   1.184  -2.475
    5    HA   PRO   2           HA       PRO   2   6.242  -1.779  -1.359
    6    HB2  PRO   2           2HB      PRO   2   7.083  -1.403  -3.912
    7    HB3  PRO   2           3HB      PRO   2   6.173  -2.829  -3.401
    8    HG2  PRO   2           2HG      PRO   2   5.202  -0.358  -4.785
    9    HG3  PRO   2           3HG      PRO   2   4.789  -2.054  -5.102
   10    HD2  PRO   2           2HD      PRO   2   3.171  -0.399  -3.696
   11    HD3  PRO   2           3HD      PRO   2   3.274  -2.140  -3.367
   12    H    ARG   3           H        ARG   3   5.138   1.184  -2.889
   13    HA   ARG   3           HA       ARG   3   7.717   2.477  -2.510
   14    HB2  ARG   3           2HB      ARG   3   5.119   3.559  -3.616
   15    HB3  ARG   3           3HB      ARG   3   6.656   4.413  -3.604
   16    HG2  ARG   3           2HG      ARG   3   7.313   2.076  -4.854
   17    HG3  ARG   3           3HG      ARG   3   5.664   2.355  -5.417
   18    HD2  ARG   3           2HD      ARG   3   7.931   4.341  -5.555
   19    HD3  ARG   3           3HD      ARG   3   7.332   3.374  -6.902
   20    HE   ARG   3           HE       ARG   3   5.289   4.954  -5.661
   21   HH11  ARG   3          1HH1      ARG   3   7.876   4.979  -7.991
   22   HH12  ARG   3          2HH1      ARG   3   7.210   6.289  -8.909
   23   HH21  ARG   3          1HH2      ARG   3   4.403   6.679  -6.862
   24   HH22  ARG   3          2HH2      ARG   3   5.236   7.255  -8.266
   25    H    ILE   4           H        ILE   4   5.100   1.822  -0.615
   26    HA   ILE   4           HA       ILE   4   5.229   4.343   0.876
   27    HB   ILE   4           HB       ILE   4   3.324   2.013   1.110
   28   HG12  ILE   4          2HG1      ILE   4   3.004   3.454  -0.872
   29   HG13  ILE   4          3HG1      ILE   4   1.662   3.582   0.259
   30   HG21  ILE   4          1HG2      ILE   4   3.768   4.400   2.828
   31   HG22  ILE   4          2HG2      ILE   4   2.115   3.842   2.572
   32   HG23  ILE   4          3HG2      ILE   4   3.314   2.755   3.273
   33   HD11  ILE   4          3HD1      ILE   4   2.220   5.756  -0.591
   34   HD12  ILE   4          1HD1      ILE   4   2.636   5.674   1.121
   35   HD13  ILE   4          2HD1      ILE   4   3.902   5.555  -0.101
   36    H    ALA   5           H        ALA   5   6.144   1.006   1.037
   37    HA   ALA   5           HA       ALA   5   6.662   1.040   3.881
   38    HB1  ALA   5           1HB      ALA   5   7.167  -1.214   3.699
   39    HB2  ALA   5           2HB      ALA   5   5.969  -0.983   2.426
   40    HB3  ALA   5           3HB      ALA   5   7.683  -1.067   2.018
   41    H    ALA   6           H        ALA   6   8.442   1.497   0.910
   42    HA   ALA   6           HA       ALA   6  11.053   1.149   1.819
   43    HB1  ALA   6           1HB      ALA   6   9.793   2.123  -0.518
   44    HB2  ALA   6           2HB      ALA   6  11.000   3.314  -0.030
   45    HB3  ALA   6           3HB      ALA   6  11.475   1.637  -0.302
   46    H    ARG   7           H        ARG   7   8.789   3.690   2.429
   47    HA   ARG   7           HA       ARG   7  10.865   5.465   3.466
   48    HB2  ARG   7           2HB      ARG   7   8.383   5.897   2.220
   49    HB3  ARG   7           3HB      ARG   7   8.174   6.414   3.888
   50    HG2  ARG   7           2HG      ARG   7  10.384   7.702   3.516
   51    HG3  ARG   7           3HG      ARG   7  10.029   7.475   1.802
   52    HD2  ARG   7           2HD      ARG   7   7.630   8.332   2.934
   53    HD3  ARG   7           3HD      ARG   7   8.873   9.323   3.696
   54    HE   ARG   7           HE       ARG   7   9.241  10.362   1.683
   55   HH11  ARG   7          1HH1      ARG   7   7.312   7.507   1.182
   56   HH12  ARG   7          2HH1      ARG   7   6.957   7.878  -0.472
   57   HH21  ARG   7          1HH2      ARG   7   8.781  10.862  -0.495
   58   HH22  ARG   7          2HH2      ARG   7   7.794   9.786  -1.426
   59    H    GLY   8           H        GLY   8   8.438   3.241   4.529
   60    HA2  GLY   8           2HA      GLY   8   8.127   4.213   7.181
   61    HA3  GLY   8           3HA      GLY   8   7.722   2.598   6.617
   62    H    ARG   9           H        ARG   9  10.462   2.099   5.661
   63    HA   ARG   9           HA       ARG   9  11.529   1.125   8.149
   64    HB2  ARG   9           2HB      ARG   9  11.622  -0.219   6.083
   65    HB3  ARG   9           3HB      ARG   9  12.677   0.985   5.356
   66    HG2  ARG   9           2HG      ARG   9  14.485   0.160   6.358
   67    HG3  ARG   9           3HG      ARG   9  13.665   0.021   7.915
   68    HD2  ARG   9           2HD      ARG   9  12.490  -2.015   6.897
   69    HD3  ARG   9           3HD      ARG   9  13.724  -1.937   5.640
   70    HE   ARG   9           HE       ARG   9  15.231  -2.802   7.125
   71   HH11  ARG   9          1HH1      ARG   9  12.478  -1.595   8.881
   72   HH12  ARG   9          2HH1      ARG   9  13.006  -2.230  10.404
   73   HH21  ARG   9          1HH2      ARG   9  15.937  -3.644   9.123
   74   HH22  ARG   9          2HH2      ARG   9  14.974  -3.395  10.541
   75    H    ALA  10           H        ALA  10  12.240   3.707   5.897
   76    HA   ALA  10           HA       ALA  10  14.825   4.379   6.638
   77    HB1  ALA  10           1HB      ALA  10  13.015   6.654   6.165
   78    HB2  ALA  10           2HB      ALA  10  14.530   6.220   5.372
   79    HB3  ALA  10           3HB      ALA  10  13.031   5.413   4.911
   80    H    ARG  11           H        ARG  11  11.802   4.963   8.294
   81    HA   ARG  11           HA       ARG  11  12.481   6.983  10.045
   82    HB2  ARG  11           2HB      ARG  11  10.235   5.854   9.797
   83    HB3  ARG  11           3HB      ARG  11  10.855   4.558  10.810
   84    HG2  ARG  11           2HG      ARG  11  11.214   6.151  12.629
   85    HG3  ARG  11           3HG      ARG  11  10.586   7.449  11.611
   86    HD2  ARG  11           2HD      ARG  11   8.504   5.908  11.391
   87    HD3  ARG  11           3HD      ARG  11   9.143   5.136  12.842
   88    HE   ARG  11           HE       ARG  11   9.089   7.881  13.302
   89   HH11  ARG  11          1HH1      ARG  11   6.849   5.280  12.727
   90   HH12  ARG  11          2HH1      ARG  11   5.567   6.009  13.636
   91   HH21  ARG  11          1HH2      ARG  11   7.409   8.852  14.501
   92   HH22  ARG  11          2HH2      ARG  11   5.886   8.041  14.644
   93    H    LEU  12           H        LEU  12  12.468   3.562  11.039
   94    HA   LEU  12           HA       LEU  12  14.059   3.938  13.305
   95    HB2  LEU  12           2HB      LEU  12  13.823   1.427  11.655
   96    HB3  LEU  12           3HB      LEU  12  14.317   1.535  13.344
   97    HG   LEU  12           HG       LEU  12  11.573   2.277  12.336
   98   HD11  LEU  12          1HD1      LEU  12  10.884   0.132  13.404
   99   HD12  LEU  12          2HD1      LEU  12  12.590  -0.294  13.530
  100   HD13  LEU  12          3HD1      LEU  12  11.854  -0.061  11.944
  101   HD21  LEU  12          3HD2      LEU  12  12.294   1.577  15.150
  102   HD22  LEU  12          1HD2      LEU  12  10.958   2.555  14.542
  103   HD23  LEU  12          2HD2      LEU  12  12.597   3.206  14.542
  104    H    ARG  13           H        ARG  13  14.916   3.316   9.964
  105    HA   ARG  13           HA       ARG  13  17.583   2.566  10.287
  106    HB2  ARG  13           2HB      ARG  13  16.027   2.759   8.155
  107    HB3  ARG  13           3HB      ARG  13  16.814   4.324   8.001
  108    HG2  ARG  13           2HG      ARG  13  18.232   1.672   8.157
  109    HG3  ARG  13           3HG      ARG  13  17.918   2.583   6.678
  110    HD2  ARG  13           2HD      ARG  13  19.122   4.490   8.123
  111    HD3  ARG  13           3HD      ARG  13  19.884   3.068   8.834
  112    HE   ARG  13           HE       ARG  13  20.374   4.160   6.246
  113   HH11  ARG  13          1HH1      ARG  13  20.286   1.193   8.066
  114   HH12  ARG  13          2HH1      ARG  13  21.419   0.377   7.040
  115   HH21  ARG  13          1HH2      ARG  13  21.866   3.096   4.887
  116   HH22  ARG  13          2HH2      ARG  13  22.317   1.461   5.232
  117    H    ALA  14           H        ALA  14  16.139   5.789   9.990
  118    HA   ALA  14           HA       ALA  14  18.679   7.125  10.210
  119    HB1  ALA  14           1HB      ALA  14  15.850   7.957   9.895
  120    HB2  ALA  14           2HB      ALA  14  16.975   9.125  10.590
  121    HB3  ALA  14           3HB      ALA  14  17.285   8.446   8.992
  122    H    VAL  15           H        VAL  15  15.872   6.617  12.321
  123    HA   VAL  15           HA       VAL  15  16.733   8.124  14.507
  124    HB   VAL  15           HB       VAL  15  15.073   5.599  14.541
  125   HG11  VAL  15          1HG1      VAL  15  15.620   5.876  16.759
  126   HG12  VAL  15          2HG1      VAL  15  15.740   7.631  16.622
  127   HG13  VAL  15          3HG1      VAL  15  14.157   6.854  16.643
  128   HG21  VAL  15          3HG2      VAL  15  13.387   6.785  13.708
  129   HG22  VAL  15          1HG2      VAL  15  13.615   8.044  14.922
  130   HG23  VAL  15          2HG2      VAL  15  14.520   8.103  13.409
  131    H    GLY  16           H        GLY  16  17.760   5.019  13.358
  132    HA2  GLY  16           2HA      GLY  16  19.018   4.253  15.850
  133    HA3  GLY  16           3HA      GLY  16  19.110   3.389  14.323
  134    H    ALA  17           H        ALA  17  20.136   5.283  12.635
  135    HA   ALA  17           HA       ALA  17  22.865   5.116  13.043
  136    HB1  ALA  17           1HB      ALA  17  23.097   6.785  11.278
  137    HB2  ALA  17           2HB      ALA  17  21.857   5.598  10.872
  138    HB3  ALA  17           3HB      ALA  17  21.391   7.202  11.439
  139    H    ILE  18           H        ILE  18  21.018   8.163  13.252
  140    HA   ILE  18           HA       ILE  18  23.089   9.260  14.990
  141    HB   ILE  18           HB       ILE  18  20.660  10.640  13.843
  142   HG12  ILE  18          2HG1      ILE  18  23.015  11.594  12.636
  143   HG13  ILE  18          3HG1      ILE  18  23.151   9.839  12.620
  144   HG21  ILE  18          1HG2      ILE  18  21.229  12.115  15.450
  145   HG22  ILE  18          2HG2      ILE  18  22.863  11.473  15.608
  146   HG23  ILE  18          3HG2      ILE  18  22.475  12.582  14.293
  147   HD11  ILE  18          3HD1      ILE  18  20.528  10.454  11.817
  148   HD12  ILE  18          1HD1      ILE  18  21.605  11.541  10.940
  149   HD13  ILE  18          2HD1      ILE  18  21.842   9.796  10.843
  Start of MODEL    4
    1    H1   ASP   1           H        ASP   1   0.363   0.319   0.166
    2    HA   ASP   1           HA       ASP   1   1.493  -1.258  -1.742
    3    HB2  ASP   1           2HB      ASP   1   1.321   1.674  -1.340
    4    HB3  ASP   1           3HB      ASP   1   2.482   1.118  -2.542
    5    HA   PRO   2           HA       PRO   2   5.768  -1.833  -0.956
    6    HB2  PRO   2           2HB      PRO   2   6.857  -1.618  -3.433
    7    HB3  PRO   2           3HB      PRO   2   5.879  -3.002  -2.931
    8    HG2  PRO   2           2HG      PRO   2   5.086  -0.608  -4.544
    9    HG3  PRO   2           3HG      PRO   2   4.679  -2.314  -4.800
   10    HD2  PRO   2           2HD      PRO   2   2.960  -0.562  -3.657
   11    HD3  PRO   2           3HD      PRO   2   3.003  -2.282  -3.219
   12    H    ARG   3           H        ARG   3   4.736   1.100  -2.492
   13    HA   ARG   3           HA       ARG   3   7.330   2.379  -2.176
   14    HB2  ARG   3           2HB      ARG   3   4.702   3.485  -3.182
   15    HB3  ARG   3           3HB      ARG   3   6.241   4.335  -3.206
   16    HG2  ARG   3           2HG      ARG   3   6.812   1.979  -4.505
   17    HG3  ARG   3           3HG      ARG   3   5.172   2.353  -5.041
   18    HD2  ARG   3           2HD      ARG   3   6.624   3.404  -6.582
   19    HD3  ARG   3           3HD      ARG   3   6.002   4.684  -5.541
   20    HE   ARG   3           HE       ARG   3   8.326   3.966  -4.345
   21   HH11  ARG   3          1HH1      ARG   3   7.475   4.917  -7.584
   22   HH12  ARG   3          2HH1      ARG   3   9.016   5.635  -7.918
   23   HH21  ARG   3          1HH2      ARG   3  10.360   4.907  -4.773
   24   HH22  ARG   3          2HH2      ARG   3  10.657   5.627  -6.319
   25    H    ILE   4           H        ILE   4   4.774   1.702  -0.208
   26    HA   ILE   4           HA       ILE   4   4.959   4.199   1.316
   27    HB   ILE   4           HB       ILE   4   3.054   1.872   1.575
   28   HG12  ILE   4          2HG1      ILE   4   2.677   3.345  -0.373
   29   HG13  ILE   4          3HG1      ILE   4   1.371   3.458   0.801
   30   HG21  ILE   4          1HG2      ILE   4   1.865   3.404   3.187
   31   HG22  ILE   4          2HG2      ILE   4   3.376   2.706   3.767
   32   HG23  ILE   4          3HG2      ILE   4   3.334   4.380   3.213
   33   HD11  ILE   4          3HD1      ILE   4   3.604   5.431   0.397
   34   HD12  ILE   4          1HD1      ILE   4   1.906   5.645  -0.027
   35   HD13  ILE   4          2HD1      ILE   4   2.386   5.533   1.667
   36    H    ALA   5           H        ALA   5   5.866   0.858   1.396
   37    HA   ALA   5           HA       ALA   5   6.475   0.846   4.223
   38    HB1  ALA   5           1HB      ALA   5   6.281  -1.115   2.101
   39    HB2  ALA   5           2HB      ALA   5   7.719  -1.358   3.094
   40    HB3  ALA   5           3HB      ALA   5   6.124  -1.319   3.846
   41    H    ALA   6           H        ALA   6   8.160   1.347   1.203
   42    HA   ALA   6           HA       ALA   6  10.798   0.977   2.023
   43    HB1  ALA   6           1HB      ALA   6   9.467   1.991  -0.257
   44    HB2  ALA   6           2HB      ALA   6  10.694   3.170   0.210
   45    HB3  ALA   6           3HB      ALA   6  11.153   1.496  -0.103
   46    H    ARG   7           H        ARG   7   8.563   3.513   2.745
   47    HA   ARG   7           HA       ARG   7  10.677   5.266   3.742
   48    HB2  ARG   7           2HB      ARG   7   8.164   5.728   2.579
   49    HB3  ARG   7           3HB      ARG   7   7.998   6.209   4.262
   50    HG2  ARG   7           2HG      ARG   7  10.117   7.565   3.930
   51    HG3  ARG   7           3HG      ARG   7   9.902   7.273   2.203
   52    HD2  ARG   7           2HD      ARG   7   7.418   8.129   3.309
   53    HD3  ARG   7           3HD      ARG   7   8.681   9.248   3.820
   54    HE   ARG   7           HE       ARG   7   9.052   8.842   1.113
   55   HH11  ARG   7          1HH1      ARG   7   6.555  10.094   3.192
   56   HH12  ARG   7          2HH1      ARG   7   5.933  11.190   2.003
   57   HH21  ARG   7          1HH2      ARG   7   8.242  10.281  -0.461
   58   HH22  ARG   7          2HH2      ARG   7   6.893  11.295  -0.075
   59    H    GLY   8           H        GLY   8   8.279   3.032   4.848
   60    HA2  GLY   8           2HA      GLY   8   8.057   3.963   7.524
   61    HA3  GLY   8           3HA      GLY   8   7.629   2.358   6.948
   62    H    ARG   9           H        ARG   9  10.337   1.870   5.896
   63    HA   ARG   9           HA       ARG   9  11.492   0.899   8.357
   64    HB2  ARG   9           2HB      ARG   9  11.420  -0.450   6.251
   65    HB3  ARG   9           3HB      ARG   9  12.573   0.674   5.545
   66    HG2  ARG   9           2HG      ARG   9  13.719  -0.109   7.960
   67    HG3  ARG   9           3HG      ARG   9  13.030  -1.581   7.272
   68    HD2  ARG   9           2HD      ARG   9  14.855   0.324   5.811
   69    HD3  ARG   9           3HD      ARG   9  15.368  -1.181   6.572
   70    HE   ARG   9           HE       ARG   9  13.998  -0.885   4.064
   71   HH11  ARG   9          1HH1      ARG   9  14.650  -3.023   6.734
   72   HH12  ARG   9          2HH1      ARG   9  14.357  -4.465   5.820
   73   HH21  ARG   9          1HH2      ARG   9  13.609  -2.777   2.851
   74   HH22  ARG   9          2HH2      ARG   9  13.765  -4.324   3.611
   75    H    ALA  10           H        ALA  10  12.205   3.348   5.940
   76    HA   ALA  10           HA       ALA  10  14.820   3.985   6.613
   77    HB1  ALA  10           1HB      ALA  10  12.569   5.439   5.352
   78    HB2  ALA  10           2HB      ALA  10  13.928   6.403   5.931
   79    HB3  ALA  10           3HB      ALA  10  14.196   5.121   4.750
   80    H    ARG  11           H        ARG  11  11.819   4.824   8.215
   81    HA   ARG  11           HA       ARG  11  12.603   6.923   9.824
   82    HB2  ARG  11           2HB      ARG  11  10.299   5.903   9.640
   83    HB3  ARG  11           3HB      ARG  11  10.844   4.650  10.746
   84    HG2  ARG  11           2HG      ARG  11  11.284   6.344  12.452
   85    HG3  ARG  11           3HG      ARG  11  10.730   7.599  11.341
   86    HD2  ARG  11           2HD      ARG  11   8.922   5.303  11.892
   87    HD3  ARG  11           3HD      ARG  11   9.122   6.526  13.146
   88    HE   ARG  11           HE       ARG  11   7.659   6.792  10.715
   89   HH11  ARG  11          1HH1      ARG  11   9.577   8.545  13.032
   90   HH12  ARG  11          2HH1      ARG  11   8.828  10.071  12.692
   91   HH21  ARG  11          1HH2      ARG  11   6.666   8.794  10.259
   92   HH22  ARG  11          2HH2      ARG  11   7.172  10.211  11.115
   93    H    LEU  12           H        LEU  12  12.399   3.585  11.055
   94    HA   LEU  12           HA       LEU  12  13.977   4.016  13.310
   95    HB2  LEU  12           2HB      LEU  12  13.706   1.426  11.796
   96    HB3  LEU  12           3HB      LEU  12  14.134   1.620  13.494
   97    HG   LEU  12           HG       LEU  12  11.465   2.459  12.384
   98   HD11  LEU  12          1HD1      LEU  12  11.909  -0.103  13.861
   99   HD12  LEU  12          2HD1      LEU  12  12.093  -0.034  12.109
  100   HD13  LEU  12          3HD1      LEU  12  10.549   0.386  12.850
  101   HD21  LEU  12          3HD2      LEU  12  12.569   1.997  15.145
  102   HD22  LEU  12          1HD2      LEU  12  10.843   2.123  14.806
  103   HD23  LEU  12          2HD2      LEU  12  11.910   3.487  14.469
  104    H    ARG  13           H        ARG  13  14.870   3.275  10.016
  105    HA   ARG  13           HA       ARG  13  17.492   2.402  10.396
  106    HB2  ARG  13           2HB      ARG  13  15.985   2.645   8.234
  107    HB3  ARG  13           3HB      ARG  13  16.850   4.168   8.077
  108    HG2  ARG  13           2HG      ARG  13  18.136   1.453   8.289
  109    HG3  ARG  13           3HG      ARG  13  17.893   2.360   6.795
  110    HD2  ARG  13           2HD      ARG  13  19.163   4.228   8.216
  111    HD3  ARG  13           3HD      ARG  13  19.829   2.793   8.995
  112    HE   ARG  13           HE       ARG  13  20.415   3.757   6.363
  113   HH11  ARG  13          1HH1      ARG  13  20.251   0.919   8.372
  114   HH12  ARG  13          2HH1      ARG  13  21.401   0.027   7.432
  115   HH21  ARG  13          1HH2      ARG  13  21.930   2.593   5.116
  116   HH22  ARG  13          2HH2      ARG  13  22.356   0.980   5.580
  117    H    ALA  14           H        ALA  14  16.351   5.706   9.688
  118    HA   ALA  14           HA       ALA  14  18.895   6.907  10.039
  119    HB1  ALA  14           1HB      ALA  14  17.764   9.003   9.866
  120    HB2  ALA  14           2HB      ALA  14  17.002   7.883   8.735
  121    HB3  ALA  14           3HB      ALA  14  16.214   8.262  10.266
  122    H    VAL  15           H        VAL  15  16.128   6.414  12.178
  123    HA   VAL  15           HA       VAL  15  17.029   7.982  14.332
  124    HB   VAL  15           HB       VAL  15  15.298   5.508  14.448
  125   HG11  VAL  15          1HG1      VAL  15  16.091   6.067  16.638
  126   HG12  VAL  15          2HG1      VAL  15  15.711   7.773  16.394
  127   HG13  VAL  15          3HG1      VAL  15  14.411   6.587  16.513
  128   HG21  VAL  15          3HG2      VAL  15  13.668   6.681  13.496
  129   HG22  VAL  15          1HG2      VAL  15  13.857   7.965  14.690
  130   HG23  VAL  15          2HG2      VAL  15  14.811   7.992  13.207
  131    H    GLY  16           H        GLY  16  17.846   4.759  13.283
  132    HA2  GLY  16           2HA      GLY  16  18.999   3.847  15.711
  133    HA3  GLY  16           3HA      GLY  16  19.304   3.187  14.111
  134    H    ALA  17           H        ALA  17  20.258   5.702  13.008
  135    HA   ALA  17           HA       ALA  17  22.995   5.488  13.872
  136    HB1  ALA  17           1HB      ALA  17  23.517   6.947  12.048
  137    HB2  ALA  17           2HB      ALA  17  22.322   5.775  11.491
  138    HB3  ALA  17           3HB      ALA  17  21.827   7.422  11.879
  139    H    ILE  18           H        ILE  18  20.986   8.394  13.386
  140    HA   ILE  18           HA       ILE  18  22.535   9.831  15.358
  141    HB   ILE  18           HB       ILE  18  20.113  10.712  13.782
  142   HG12  ILE  18          2HG1      ILE  18  22.524  12.040  13.030
  143   HG13  ILE  18          3HG1      ILE  18  22.825  10.305  13.003
  144   HG21  ILE  18          1HG2      ILE  18  20.137  12.206  15.522
  145   HG22  ILE  18          2HG2      ILE  18  21.881  12.082  15.749
  146   HG23  ILE  18          3HG2      ILE  18  21.232  13.007  14.394
  147   HD11  ILE  18          3HD1      ILE  18  22.074  10.611  10.883
  148   HD12  ILE  18          1HD1      ILE  18  20.542  10.284  11.691
  149   HD13  ILE  18          2HD1      ILE  18  21.011  11.946  11.330
  Start of MODEL    5
    1    H1   ASP   1           H        ASP   1   1.845  -0.877   0.906
    2    HA   ASP   1           HA       ASP   1   1.803  -1.341  -1.697
    3    HB2  ASP   1           2HB      ASP   1   1.392   1.518  -1.317
    4    HB3  ASP   1           3HB      ASP   1   2.768   1.177  -2.362
    5    HA   PRO   2           HA       PRO   2   6.118  -1.847  -1.097
    6    HB2  PRO   2           2HB      PRO   2   7.094  -1.616  -3.620
    7    HB3  PRO   2           3HB      PRO   2   6.161  -3.015  -3.075
    8    HG2  PRO   2           2HG      PRO   2   5.261  -0.635  -4.652
    9    HG3  PRO   2           3HG      PRO   2   4.870  -2.349  -4.891
   10    HD2  PRO   2           2HD      PRO   2   3.175  -0.624  -3.674
   11    HD3  PRO   2           3HD      PRO   2   3.264  -2.342  -3.238
   12    H    ARG   3           H        ARG   3   4.993   1.059  -2.642
   13    HA   ARG   3           HA       ARG   3   7.574   2.379  -2.392
   14    HB2  ARG   3           2HB      ARG   3   4.912   3.433  -3.366
   15    HB3  ARG   3           3HB      ARG   3   6.439   4.304  -3.431
   16    HG2  ARG   3           2HG      ARG   3   7.219   2.187  -4.775
   17    HG3  ARG   3           3HG      ARG   3   5.488   2.014  -5.070
   18    HD2  ARG   3           2HD      ARG   3   7.057   4.532  -5.599
   19    HD3  ARG   3           3HD      ARG   3   6.708   3.308  -6.820
   20    HE   ARG   3           HE       ARG   3   4.306   4.119  -5.603
   21   HH11  ARG   3          1HH1      ARG   3   6.770   5.309  -7.756
   22   HH12  ARG   3          2HH1      ARG   3   5.702   6.387  -8.592
   23   HH21  ARG   3          1HH2      ARG   3   2.891   5.534  -6.695
   24   HH22  ARG   3          2HH2      ARG   3   3.496   6.515  -7.987
   25    H    ILE   4           H        ILE   4   5.063   1.697  -0.368
   26    HA   ILE   4           HA       ILE   4   5.239   4.219   1.115
   27    HB   ILE   4           HB       ILE   4   3.372   1.868   1.443
   28   HG12  ILE   4          2HG1      ILE   4   2.932   3.298  -0.519
   29   HG13  ILE   4          3HG1      ILE   4   1.652   3.428   0.683
   30   HG21  ILE   4          1HG2      ILE   4   3.766   4.341   3.085
   31   HG22  ILE   4          2HG2      ILE   4   2.194   3.547   3.005
   32   HG23  ILE   4          3HG2      ILE   4   3.596   2.668   3.614
   33   HD11  ILE   4          3HD1      ILE   4   3.581   5.428   1.236
   34   HD12  ILE   4          1HD1      ILE   4   3.199   5.486  -0.484
   35   HD13  ILE   4          2HD1      ILE   4   1.908   5.619   0.711
   36    H    ALA   5           H        ALA   5   6.195   0.892   1.229
   37    HA   ALA   5           HA       ALA   5   6.854   0.931   4.044
   38    HB1  ALA   5           1HB      ALA   5   6.176  -1.175   3.301
   39    HB2  ALA   5           2HB      ALA   5   7.180  -1.091   1.854
   40    HB3  ALA   5           3HB      ALA   5   7.929  -1.314   3.435
   41    H    ALA   6           H        ALA   6   8.478   1.409   0.988
   42    HA   ALA   6           HA       ALA   6  11.135   1.089   1.766
   43    HB1  ALA   6           1HB      ALA   6   9.750   2.050  -0.505
   44    HB2  ALA   6           2HB      ALA   6  10.967   3.253  -0.078
   45    HB3  ALA   6           3HB      ALA   6  11.445   1.582  -0.374
   46    H    ARG   7           H        ARG   7   8.877   3.605   2.489
   47    HA   ARG   7           HA       ARG   7  10.983   5.402   3.422
   48    HB2  ARG   7           2HB      ARG   7   8.339   5.755   2.398
   49    HB3  ARG   7           3HB      ARG   7   8.400   6.423   4.024
   50    HG2  ARG   7           2HG      ARG   7  10.517   7.632   3.248
   51    HG3  ARG   7           3HG      ARG   7   9.999   7.206   1.616
   52    HD2  ARG   7           2HD      ARG   7   7.847   8.333   3.208
   53    HD3  ARG   7           3HD      ARG   7   9.219   9.430   3.063
   54    HE   ARG   7           HE       ARG   7   8.397   8.260   0.568
   55   HH11  ARG   7          1HH1      ARG   7   7.887  10.866   2.819
   56   HH12  ARG   7          2HH1      ARG   7   7.221  11.936   1.630
   57   HH21  ARG   7          1HH2      ARG   7   7.522   9.660  -1.006
   58   HH22  ARG   7          2HH2      ARG   7   7.013  11.249  -0.545
   59    H    GLY   8           H        GLY   8   8.637   3.152   4.604
   60    HA2  GLY   8           2HA      GLY   8   8.448   4.120   7.269
   61    HA3  GLY   8           3HA      GLY   8   8.034   2.501   6.725
   62    H    ARG   9           H        ARG   9  10.731   2.037   5.632
   63    HA   ARG   9           HA       ARG   9  11.930   1.071   8.062
   64    HB2  ARG   9           2HB      ARG   9  11.917  -0.228   5.933
   65    HB3  ARG   9           3HB      ARG   9  13.008   0.965   5.241
   66    HG2  ARG   9           2HG      ARG   9  14.794   0.079   6.242
   67    HG3  ARG   9           3HG      ARG   9  13.946  -0.129   7.775
   68    HD2  ARG   9           2HD      ARG   9  12.982  -2.181   7.056
   69    HD3  ARG   9           3HD      ARG   9  13.514  -1.920   5.395
   70    HE   ARG   9           HE       ARG   9  15.800  -1.957   6.945
   71   HH11  ARG   9          1HH1      ARG   9  13.189  -4.134   6.193
   72   HH12  ARG   9          2HH1      ARG   9  14.153  -5.562   6.380
   73   HH21  ARG   9          1HH2      ARG   9  17.078  -3.830   7.195
   74   HH22  ARG   9          2HH2      ARG   9  16.365  -5.388   6.951
   75    H    ALA  10           H        ALA  10  12.591   3.596   5.702
   76    HA   ALA  10           HA       ALA  10  15.174   4.302   6.432
   77    HB1  ALA  10           1HB      ALA  10  13.857   5.189   4.489
   78    HB2  ALA  10           2HB      ALA  10  13.037   6.264   5.623
   79    HB3  ALA  10           3HB      ALA  10  14.779   6.399   5.382
   80    H    ARG  11           H        ARG  11  12.090   5.219   7.888
   81    HA   ARG  11           HA       ARG  11  12.897   7.230   9.595
   82    HB2  ARG  11           2HB      ARG  11  10.549   6.374   9.229
   83    HB3  ARG  11           3HB      ARG  11  10.930   5.066  10.341
   84    HG2  ARG  11           2HG      ARG  11  11.361   6.696  12.111
   85    HG3  ARG  11           3HG      ARG  11  10.972   8.005  10.994
   86    HD2  ARG  11           2HD      ARG  11   8.779   6.410  10.754
   87    HD3  ARG  11           3HD      ARG  11   9.204   6.170  12.448
   88    HE   ARG  11           HE       ARG  11   9.186   8.930  11.710
   89   HH11  ARG  11          1HH1      ARG  11   7.169   6.249  12.638
   90   HH12  ARG  11          2HH1      ARG  11   5.912   7.250  13.285
   91   HH21  ARG  11          1HH2      ARG  11   7.538  10.259  12.558
   92   HH22  ARG  11          2HH2      ARG  11   6.122   9.530  13.238
   93    H    LEU  12           H        LEU  12  12.385   3.893  10.732
   94    HA   LEU  12           HA       LEU  12  13.767   4.136  13.116
   95    HB2  LEU  12           2HB      LEU  12  13.469   1.692  11.376
   96    HB3  LEU  12           3HB      LEU  12  13.972   1.678  13.065
   97    HG   LEU  12           HG       LEU  12  11.296   2.718  12.153
   98   HD11  LEU  12          1HD1      LEU  12  10.369   0.574  12.856
   99   HD12  LEU  12          2HD1      LEU  12  11.995  -0.038  13.156
  100   HD13  LEU  12          3HD1      LEU  12  11.496   0.372  11.515
  101   HD21  LEU  12          3HD2      LEU  12  10.788   2.978  14.342
  102   HD22  LEU  12          1HD2      LEU  12  12.537   3.157  14.486
  103   HD23  LEU  12          2HD2      LEU  12  11.776   1.608  14.849
  104    H    ARG  13           H        ARG  13  14.979   3.372   9.902
  105    HA   ARG  13           HA       ARG  13  17.554   2.535  10.573
  106    HB2  ARG  13           2HB      ARG  13  16.270   2.690   8.264
  107    HB3  ARG  13           3HB      ARG  13  17.139   4.214   8.140
  108    HG2  ARG  13           2HG      ARG  13  18.410   1.519   8.575
  109    HG3  ARG  13           3HG      ARG  13  18.313   2.372   7.033
  110    HD2  ARG  13           2HD      ARG  13  19.406   4.281   8.621
  111    HD3  ARG  13           3HD      ARG  13  20.079   2.819   9.339
  112    HE   ARG  13           HE       ARG  13  20.760   3.966   6.808
  113   HH11  ARG  13          1HH1      ARG  13  20.558   0.987   8.599
  114   HH12  ARG  13          2HH1      ARG  13  21.765   0.183   7.651
  115   HH21  ARG  13          1HH2      ARG  13  22.350   2.918   5.552
  116   HH22  ARG  13          2HH2      ARG  13  22.784   1.283   5.919
  117    H    ALA  14           H        ALA  14  16.299   5.795   9.972
  118    HA   ALA  14           HA       ALA  14  18.840   7.057  10.394
  119    HB1  ALA  14           1HB      ALA  14  17.629   9.144  10.202
  120    HB2  ALA  14           2HB      ALA  14  17.111   8.031   8.936
  121    HB3  ALA  14           3HB      ALA  14  16.090   8.295  10.350
  122    H    VAL  15           H        VAL  15  15.838   6.778  12.281
  123    HA   VAL  15           HA       VAL  15  16.638   8.272  14.500
  124    HB   VAL  15           HB       VAL  15  14.777   5.892  14.443
  125   HG11  VAL  15          1HG1      VAL  15  13.806   7.299  16.437
  126   HG12  VAL  15          2HG1      VAL  15  15.136   6.168  16.692
  127   HG13  VAL  15          3HG1      VAL  15  15.463   7.895  16.539
  128   HG21  VAL  15          3HG2      VAL  15  14.532   8.609  13.464
  129   HG22  VAL  15          1HG2      VAL  15  13.474   7.220  13.216
  130   HG23  VAL  15          2HG2      VAL  15  13.291   8.222  14.656
  131    H    GLY  16           H        GLY  16  17.370   4.986  13.571
  132    HA2  GLY  16           2HA      GLY  16  18.423   4.256  16.160
  133    HA3  GLY  16           3HA      GLY  16  18.503   3.297  14.690
  134    H    ALA  17           H        ALA  17  19.669   5.626  13.217
  135    HA   ALA  17           HA       ALA  17  22.402   4.976  13.641
  136    HB1  ALA  17           1HB      ALA  17  22.173   5.558  11.474
  137    HB2  ALA  17           2HB      ALA  17  20.875   6.705  11.806
  138    HB3  ALA  17           3HB      ALA  17  22.554   7.167  12.089
  139    H    ILE  18           H        ILE  18  20.638   8.052  14.055
  140    HA   ILE  18           HA       ILE  18  22.752   8.914  15.911
  141    HB   ILE  18           HB       ILE  18  20.734  10.623  14.452
  142   HG12  ILE  18          2HG1      ILE  18  23.339  11.267  13.640
  143   HG13  ILE  18          3HG1      ILE  18  23.279   9.507  13.638
  144   HG21  ILE  18          1HG2      ILE  18  21.429  11.578  16.582
  145   HG22  ILE  18          2HG2      ILE  18  23.121  11.384  16.129
  146   HG23  ILE  18          3HG2      ILE  18  22.092  12.503  15.235
  147   HD11  ILE  18          3HD1      ILE  18  22.699  10.449  11.466
  148   HD12  ILE  18          1HD1      ILE  18  21.351   9.557  12.170
  149   HD13  ILE  18          2HD1      ILE  18  21.355  11.321  12.203
  Start of MODEL    6
    1    H1   ASP   1           H        ASP   1   0.444   0.912   0.234
    2    HA   ASP   1           HA       ASP   1   1.346  -0.921  -1.602
    3    HB2  ASP   1           2HB      ASP   1   1.315   2.008  -1.404
    4    HB3  ASP   1           3HB      ASP   1   2.575   1.378  -2.462
    5    HA   PRO   2           HA       PRO   2   5.563  -1.832  -0.816
    6    HB2  PRO   2           2HB      PRO   2   6.631  -1.876  -3.311
    7    HB3  PRO   2           3HB      PRO   2   5.540  -3.130  -2.712
    8    HG2  PRO   2           2HG      PRO   2   4.943  -0.782  -4.470
    9    HG3  PRO   2           3HG      PRO   2   4.380  -2.457  -4.612
   10    HD2  PRO   2           2HD      PRO   2   2.843  -0.486  -3.570
   11    HD3  PRO   2           3HD      PRO   2   2.736  -2.171  -3.021
   12    H    ARG   3           H        ARG   3   4.814   1.054  -2.618
   13    HA   ARG   3           HA       ARG   3   7.508   2.115  -2.331
   14    HB2  ARG   3           2HB      ARG   3   5.020   3.359  -3.519
   15    HB3  ARG   3           3HB      ARG   3   6.633   4.059  -3.567
   16    HG2  ARG   3           2HG      ARG   3   6.992   1.537  -4.627
   17    HG3  ARG   3           3HG      ARG   3   5.427   2.045  -5.266
   18    HD2  ARG   3           2HD      ARG   3   8.055   3.502  -5.491
   19    HD3  ARG   3           3HD      ARG   3   7.145   2.738  -6.793
   20    HE   ARG   3           HE       ARG   3   5.553   4.697  -5.538
   21   HH11  ARG   3          1HH1      ARG   3   8.309   4.380  -7.641
   22   HH12  ARG   3          2HH1      ARG   3   8.044   5.898  -8.432
   23   HH21  ARG   3          1HH2      ARG   3   5.194   6.698  -6.572
   24   HH22  ARG   3          2HH2      ARG   3   6.273   7.217  -7.822
   25    H    ILE   4           H        ILE   4   4.850   1.858  -0.397
   26    HA   ILE   4           HA       ILE   4   5.231   4.458   0.903
   27    HB   ILE   4           HB       ILE   4   3.110   2.347   1.305
   28   HG12  ILE   4          2HG1      ILE   4   2.913   3.656  -0.777
   29   HG13  ILE   4          3HG1      ILE   4   1.603   4.012   0.343
   30   HG21  ILE   4          1HG2      ILE   4   3.831   4.756   2.871
   31   HG22  ILE   4          2HG2      ILE   4   2.116   4.445   2.606
   32   HG23  ILE   4          3HG2      ILE   4   3.120   3.231   3.398
   33   HD11  ILE   4          3HD1      ILE   4   2.102   6.161   0.285
   34   HD12  ILE   4          1HD1      ILE   4   3.753   5.827   0.807
   35   HD13  ILE   4          2HD1      ILE   4   3.350   5.813  -0.910
   36    H    ALA   5           H        ALA   5   5.818   1.069   1.312
   37    HA   ALA   5           HA       ALA   5   6.352   1.262   4.147
   38    HB1  ALA   5           1HB      ALA   5   7.058  -1.046   2.354
   39    HB2  ALA   5           2HB      ALA   5   6.761  -1.059   4.093
   40    HB3  ALA   5           3HB      ALA   5   5.427  -0.785   2.973
   41    H    ALA   6           H        ALA   6   8.150   1.331   1.153
   42    HA   ALA   6           HA       ALA   6  10.721   0.797   2.090
   43    HB1  ALA   6           1HB      ALA   6  10.867   2.816   0.088
   44    HB2  ALA   6           2HB      ALA   6  11.179   1.086  -0.060
   45    HB3  ALA   6           3HB      ALA   6   9.550   1.714  -0.314
   46    H    ARG   7           H        ARG   7   8.717   3.582   2.508
   47    HA   ARG   7           HA       ARG   7  10.962   5.218   3.416
   48    HB2  ARG   7           2HB      ARG   7   8.542   5.803   2.125
   49    HB3  ARG   7           3HB      ARG   7   8.362   6.438   3.755
   50    HG2  ARG   7           2HG      ARG   7  10.664   7.517   3.360
   51    HG3  ARG   7           3HG      ARG   7  10.356   7.185   1.655
   52    HD2  ARG   7           2HD      ARG   7   8.144   8.458   3.125
   53    HD3  ARG   7           3HD      ARG   7   9.592   9.445   2.928
   54    HE   ARG   7           HE       ARG   7   9.084   8.416   0.439
   55   HH11  ARG   7          1HH1      ARG   7   7.328  10.339   2.750
   56   HH12  ARG   7          2HH1      ARG   7   6.408  11.180   1.546
   57   HH21  ARG   7          1HH2      ARG   7   7.880   9.517  -1.154
   58   HH22  ARG   7          2HH2      ARG   7   6.722  10.711  -0.674
   59    H    GLY   8           H        GLY   8   8.335   3.325   4.635
   60    HA2  GLY   8           2HA      GLY   8   8.135   4.513   7.208
   61    HA3  GLY   8           3HA      GLY   8   7.572   2.909   6.764
   62    H    ARG   9           H        ARG   9  10.238   2.066   5.853
   63    HA   ARG   9           HA       ARG   9  11.221   1.183   8.408
   64    HB2  ARG   9           2HB      ARG   9  11.161  -0.299   6.422
   65    HB3  ARG   9           3HB      ARG   9  12.361   0.726   5.645
   66    HG2  ARG   9           2HG      ARG   9  13.258  -0.106   8.253
   67    HG3  ARG   9           3HG      ARG   9  12.826  -1.495   7.254
   68    HD2  ARG   9           2HD      ARG   9  14.271  -0.645   5.465
   69    HD3  ARG   9           3HD      ARG   9  14.709   0.730   6.478
   70    HE   ARG   9           HE       ARG   9  16.128  -0.631   7.666
   71   HH11  ARG   9          1HH1      ARG   9  14.054  -2.577   5.658
   72   HH12  ARG   9          2HH1      ARG   9  14.929  -4.043   5.951
   73   HH21  ARG   9          1HH2      ARG   9  17.288  -2.555   8.059
   74   HH22  ARG   9          2HH2      ARG   9  16.768  -4.030   7.317
   75    H    ALA  10           H        ALA  10  12.065   3.610   6.073
   76    HA   ALA  10           HA       ALA  10  14.744   4.053   6.705
   77    HB1  ALA  10           1HB      ALA  10  13.525   6.559   6.177
   78    HB2  ALA  10           2HB      ALA  10  14.482   5.551   5.091
   79    HB3  ALA  10           3HB      ALA  10  12.733   5.344   5.174
   80    H    ARG  11           H        ARG  11  11.837   4.905   8.419
   81    HA   ARG  11           HA       ARG  11  12.676   6.981  10.030
   82    HB2  ARG  11           2HB      ARG  11  10.374   5.946   9.930
   83    HB3  ARG  11           3HB      ARG  11  10.977   4.678  10.988
   84    HG2  ARG  11           2HG      ARG  11  11.479   6.346  12.702
   85    HG3  ARG  11           3HG      ARG  11  10.868   7.616  11.640
   86    HD2  ARG  11           2HD      ARG  11   9.166   5.264  12.387
   87    HD3  ARG  11           3HD      ARG  11   9.305   6.661  13.453
   88    HE   ARG  11           HE       ARG  11   8.674   7.718  11.016
   89   HH11  ARG  11          1HH1      ARG  11   7.245   5.337  13.115
   90   HH12  ARG  11          2HH1      ARG  11   5.623   5.668  12.603
   91   HH21  ARG  11          1HH2      ARG  11   6.544   8.164  10.333
   92   HH22  ARG  11          2HH2      ARG  11   5.226   7.276  11.020
   93    H    LEU  12           H        LEU  12  12.552   3.621  11.209
   94    HA   LEU  12           HA       LEU  12  14.229   4.029  13.397
   95    HB2  LEU  12           2HB      LEU  12  13.800   1.486  11.836
   96    HB3  LEU  12           3HB      LEU  12  14.465   1.595  13.464
   97    HG   LEU  12           HG       LEU  12  11.643   2.242  12.618
   98   HD11  LEU  12          1HD1      LEU  12  12.223  -0.159  12.770
   99   HD12  LEU  12          2HD1      LEU  12  11.025   0.345  13.961
  100   HD13  LEU  12          3HD1      LEU  12  12.701   0.095  14.449
  101   HD21  LEU  12          3HD2      LEU  12  11.404   2.370  15.199
  102   HD22  LEU  12          1HD2      LEU  12  12.009   3.770  14.314
  103   HD23  LEU  12          2HD2      LEU  12  13.134   2.714  15.167
  104    H    ARG  13           H        ARG  13  14.970   3.406  10.053
  105    HA   ARG  13           HA       ARG  13  17.599   2.499  10.271
  106    HB2  ARG  13           2HB      ARG  13  15.997   2.851   8.194
  107    HB3  ARG  13           3HB      ARG  13  16.867   4.374   8.067
  108    HG2  ARG  13           2HG      ARG  13  18.138   1.644   8.095
  109    HG3  ARG  13           3HG      ARG  13  17.834   2.620   6.657
  110    HD2  ARG  13           2HD      ARG  13  19.184   4.413   8.106
  111    HD3  ARG  13           3HD      ARG  13  19.874   2.937   8.780
  112    HE   ARG  13           HE       ARG  13  20.372   4.040   6.196
  113   HH11  ARG  13          1HH1      ARG  13  20.168   1.061   7.985
  114   HH12  ARG  13          2HH1      ARG  13  21.236   0.200   6.927
  115   HH21  ARG  13          1HH2      ARG  13  21.781   2.918   4.796
  116   HH22  ARG  13          2HH2      ARG  13  22.154   1.257   5.114
  117    H    ALA  14           H        ALA  14  16.440   5.838   9.801
  118    HA   ALA  14           HA       ALA  14  19.002   7.019  10.057
  119    HB1  ALA  14           1HB      ALA  14  17.543   8.404   8.957
  120    HB2  ALA  14           2HB      ALA  14  16.202   8.034  10.041
  121    HB3  ALA  14           3HB      ALA  14  17.497   9.105  10.575
  122    H    VAL  15           H        VAL  15  16.261   6.815  12.327
  123    HA   VAL  15           HA       VAL  15  17.443   8.097  14.490
  124    HB   VAL  15           HB       VAL  15  15.471   5.808  14.566
  125   HG11  VAL  15          1HG1      VAL  15  16.781   7.314  16.659
  126   HG12  VAL  15          2HG1      VAL  15  15.027   7.494  16.729
  127   HG13  VAL  15          3HG1      VAL  15  15.752   5.887  16.773
  128   HG21  VAL  15          3HG2      VAL  15  14.010   8.004  15.067
  129   HG22  VAL  15          1HG2      VAL  15  15.228   8.695  13.995
  130   HG23  VAL  15          2HG2      VAL  15  14.237   7.342  13.449
  131    H    GLY  16           H        GLY  16  17.929   4.880  13.254
  132    HA2  GLY  16           2HA      GLY  16  19.033   3.662  15.535
  133    HA3  GLY  16           3HA      GLY  16  19.354   3.191  13.873
  134    H    ALA  17           H        ALA  17  20.708   5.194  12.784
  135    HA   ALA  17           HA       ALA  17  23.272   4.988  14.015
  136    HB1  ALA  17           1HB      ALA  17  23.765   5.214  11.854
  137    HB2  ALA  17           2HB      ALA  17  22.192   5.923  11.488
  138    HB3  ALA  17           3HB      ALA  17  23.503   6.944  12.080
  139    H    ILE  18           H        ILE  18  20.897   7.585  13.658
  140    HA   ILE  18           HA       ILE  18  22.567   9.516  14.997
  141    HB   ILE  18           HB       ILE  18  19.638   9.676  14.275
  142   HG12  ILE  18          2HG1      ILE  18  21.972  10.953  12.851
  143   HG13  ILE  18          3HG1      ILE  18  21.316   9.389  12.382
  144   HG21  ILE  18          1HG2      ILE  18  21.587  11.798  15.159
  145   HG22  ILE  18          2HG2      ILE  18  19.973  12.116  14.527
  146   HG23  ILE  18          3HG2      ILE  18  20.169  11.229  16.039
  147   HD11  ILE  18          3HD1      ILE  18  19.786  10.398  11.155
  148   HD12  ILE  18          1HD1      ILE  18  19.164  11.223  12.584
  149   HD13  ILE  18          2HD1      ILE  18  20.445  11.965  11.624
  Start of MODEL    7
    1    H1   ASP   1           H        ASP   1   0.229  -0.390   0.861
    2    HA   ASP   1           HA       ASP   1   1.297  -1.083  -1.134
    3    HB2  ASP   1           2HB      ASP   1   1.229   1.817  -0.621
    4    HB3  ASP   1           3HB      ASP   1   2.298   1.328  -1.933
    5    HA   PRO   2           HA       PRO   2   5.611  -1.857  -1.017
    6    HB2  PRO   2           2HB      PRO   2   6.328  -1.595  -3.622
    7    HB3  PRO   2           3HB      PRO   2   5.374  -2.956  -3.021
    8    HG2  PRO   2           2HG      PRO   2   4.459  -0.475  -4.423
    9    HG3  PRO   2           3HG      PRO   2   3.941  -2.154  -4.667
   10    HD2  PRO   2           2HD      PRO   2   2.492  -0.377  -3.226
   11    HD3  PRO   2           3HD      PRO   2   2.522  -2.112  -2.851
   12    H    ARG   3           H        ARG   3   4.606   1.104  -2.637
   13    HA   ARG   3           HA       ARG   3   7.260   2.269  -2.379
   14    HB2  ARG   3           2HB      ARG   3   4.696   3.441  -3.474
   15    HB3  ARG   3           3HB      ARG   3   6.277   4.208  -3.539
   16    HG2  ARG   3           2HG      ARG   3   6.619   1.668  -4.665
   17    HG3  ARG   3           3HG      ARG   3   5.107   2.296  -5.323
   18    HD2  ARG   3           2HD      ARG   3   6.997   2.923  -6.727
   19    HD3  ARG   3           3HD      ARG   3   6.251   4.346  -6.001
   20    HE   ARG   3           HE       ARG   3   8.274   3.670  -4.291
   21   HH11  ARG   3          1HH1      ARG   3   8.045   4.429  -7.681
   22   HH12  ARG   3          2HH1      ARG   3   9.637   5.106  -7.770
   23   HH21  ARG   3          1HH2      ARG   3  10.372   4.559  -4.395
   24   HH22  ARG   3          2HH2      ARG   3  10.960   5.179  -5.901
   25    H    ILE   4           H        ILE   4   4.662   1.847  -0.395
   26    HA   ILE   4           HA       ILE   4   4.966   4.422   0.972
   27    HB   ILE   4           HB       ILE   4   2.944   2.214   1.360
   28   HG12  ILE   4          2HG1      ILE   4   2.641   3.569  -0.678
   29   HG13  ILE   4          3HG1      ILE   4   1.347   3.844   0.483
   30   HG21  ILE   4          1HG2      ILE   4   3.614   4.593   2.987
   31   HG22  ILE   4          2HG2      ILE   4   1.903   4.248   2.738
   32   HG23  ILE   4          3HG2      ILE   4   2.948   3.034   3.475
   33   HD11  ILE   4          3HD1      ILE   4   2.510   5.905   1.208
   34   HD12  ILE   4          1HD1      ILE   4   3.689   5.644  -0.077
   35   HD13  ILE   4          2HD1      ILE   4   1.996   5.934  -0.479
   36    H    ALA   5           H        ALA   5   5.701   1.051   1.269
   37    HA   ALA   5           HA       ALA   5   6.294   1.186   4.095
   38    HB1  ALA   5           1HB      ALA   5   5.987  -0.890   2.111
   39    HB2  ALA   5           2HB      ALA   5   7.432  -1.144   3.091
   40    HB3  ALA   5           3HB      ALA   5   5.857  -0.982   3.868
   41    H    ALA   6           H        ALA   6   8.018   1.411   1.065
   42    HA   ALA   6           HA       ALA   6  10.629   0.960   1.928
   43    HB1  ALA   6           1HB      ALA   6  11.023   1.325  -0.222
   44    HB2  ALA   6           2HB      ALA   6   9.365   1.895  -0.422
   45    HB3  ALA   6           3HB      ALA   6  10.647   3.037  -0.019
   46    H    ARG   7           H        ARG   7   8.522   3.647   2.471
   47    HA   ARG   7           HA       ARG   7  10.718   5.350   3.374
   48    HB2  ARG   7           2HB      ARG   7   8.262   5.875   2.143
   49    HB3  ARG   7           3HB      ARG   7   8.067   6.436   3.798
   50    HG2  ARG   7           2HG      ARG   7  10.239   7.697   3.483
   51    HG3  ARG   7           3HG      ARG   7  10.088   7.324   1.765
   52    HD2  ARG   7           2HD      ARG   7   7.638   8.394   2.925
   53    HD3  ARG   7           3HD      ARG   7   9.004   9.502   3.054
   54    HE   ARG   7           HE       ARG   7   8.668   8.356   0.436
   55   HH11  ARG   7          1HH1      ARG   7   7.754  10.942   2.579
   56   HH12  ARG   7          2HH1      ARG   7   7.322  12.026   1.298
   57   HH21  ARG   7          1HH2      ARG   7   8.104   9.774  -1.259
   58   HH22  ARG   7          2HH2      ARG   7   7.521  11.360  -0.885
   59    H    GLY   8           H        GLY   8   8.203   3.315   4.597
   60    HA2  GLY   8           2HA      GLY   8   8.014   4.422   7.207
   61    HA3  GLY   8           3HA      GLY   8   7.508   2.808   6.730
   62    H    ARG   9           H        ARG   9  10.193   2.117   5.733
   63    HA   ARG   9           HA       ARG   9  11.273   1.212   8.245
   64    HB2  ARG   9           2HB      ARG   9  11.208  -0.224   6.217
   65    HB3  ARG   9           3HB      ARG   9  12.368   0.853   5.450
   66    HG2  ARG   9           2HG      ARG   9  13.786   0.318   7.599
   67    HG3  ARG   9           3HG      ARG   9  12.763  -1.120   7.636
   68    HD2  ARG   9           2HD      ARG   9  13.602  -0.790   4.968
   69    HD3  ARG   9           3HD      ARG   9  15.027  -0.547   5.977
   70    HE   ARG   9           HE       ARG   9  13.610  -3.007   5.546
   71   HH11  ARG   9          1HH1      ARG   9  15.683  -1.247   7.719
   72   HH12  ARG   9          2HH1      ARG   9  16.325  -2.671   8.469
   73   HH21  ARG   9          1HH2      ARG   9  14.447  -4.889   6.525
   74   HH22  ARG   9          2HH2      ARG   9  15.622  -4.742   7.788
   75    H    ALA  10           H        ALA  10  12.003   3.671   5.887
   76    HA   ALA  10           HA       ALA  10  14.662   4.219   6.453
   77    HB1  ALA  10           1HB      ALA  10  12.633   5.402   4.948
   78    HB2  ALA  10           2HB      ALA  10  13.188   6.662   6.051
   79    HB3  ALA  10           3HB      ALA  10  14.338   5.854   4.985
   80    H    ARG  11           H        ARG  11  11.769   5.047   8.246
   81    HA   ARG  11           HA       ARG  11  12.683   7.051   9.905
   82    HB2  ARG  11           2HB      ARG  11  10.350   6.089   9.797
   83    HB3  ARG  11           3HB      ARG  11  10.923   4.775  10.815
   84    HG2  ARG  11           2HG      ARG  11  11.489   6.379  12.570
   85    HG3  ARG  11           3HG      ARG  11  10.908   7.695  11.548
   86    HD2  ARG  11           2HD      ARG  11   9.088   5.407  12.111
   87    HD3  ARG  11           3HD      ARG  11   9.366   6.598  13.381
   88    HE   ARG  11           HE       ARG  11   8.759   8.012  11.078
   89   HH11  ARG  11          1HH1      ARG  11   7.209   5.694  13.163
   90   HH12  ARG  11          2HH1      ARG  11   5.611   6.289  12.853
   91   HH21  ARG  11          1HH2      ARG  11   6.661   8.804  10.662
   92   HH22  ARG  11          2HH2      ARG  11   5.301   8.057  11.429
   93    H    LEU  12           H        LEU  12  12.467   3.665  10.993
   94    HA   LEU  12           HA       LEU  12  14.115   3.917  13.200
   95    HB2  LEU  12           2HB      LEU  12  13.969   1.438  11.506
   96    HB3  LEU  12           3HB      LEU  12  14.255   1.550  13.242
   97    HG   LEU  12           HG       LEU  12  11.661   2.051  11.788
   98   HD11  LEU  12          1HD1      LEU  12  12.693  -0.321  12.468
   99   HD12  LEU  12          2HD1      LEU  12  10.965   0.027  12.517
  100   HD13  LEU  12          3HD1      LEU  12  11.922   0.105  13.996
  101   HD21  LEU  12          3HD2      LEU  12  10.905   2.136  14.312
  102   HD22  LEU  12          1HD2      LEU  12  11.458   3.585  13.471
  103   HD23  LEU  12          2HD2      LEU  12  12.554   2.718  14.547
  104    H    ARG  13           H        ARG  13  14.955   3.491   9.837
  105    HA   ARG  13           HA       ARG  13  17.603   2.651  10.089
  106    HB2  ARG  13           2HB      ARG  13  16.046   3.048   7.986
  107    HB3  ARG  13           3HB      ARG  13  16.873   4.599   7.948
  108    HG2  ARG  13           2HG      ARG  13  18.224   1.909   7.894
  109    HG3  ARG  13           3HG      ARG  13  17.929   2.937   6.491
  110    HD2  ARG  13           2HD      ARG  13  19.182   4.686   8.117
  111    HD3  ARG  13           3HD      ARG  13  19.934   3.179   8.639
  112    HE   ARG  13           HE       ARG  13  20.377   4.552   6.179
  113   HH11  ARG  13          1HH1      ARG  13  20.286   1.400   7.655
  114   HH12  ARG  13          2HH1      ARG  13  21.378   0.690   6.512
  115   HH21  ARG  13          1HH2      ARG  13  21.816   3.628   4.669
  116   HH22  ARG  13          2HH2      ARG  13  22.248   1.958   4.815
  117    H    ALA  14           H        ALA  14  16.464   5.988   9.522
  118    HA   ALA  14           HA       ALA  14  18.919   7.247   9.911
  119    HB1  ALA  14           1HB      ALA  14  16.696   8.859  10.842
  120    HB2  ALA  14           2HB      ALA  14  17.759   9.092   9.454
  121    HB3  ALA  14           3HB      ALA  14  16.341   8.053   9.314
  122    H    VAL  15           H        VAL  15  16.261   6.811  12.249
  123    HA   VAL  15           HA       VAL  15  17.463   7.995  14.451
  124    HB   VAL  15           HB       VAL  15  15.614   5.606  14.477
  125   HG11  VAL  15          1HG1      VAL  15  16.255   7.644  16.606
  126   HG12  VAL  15          2HG1      VAL  15  14.997   6.412  16.722
  127   HG13  VAL  15          3HG1      VAL  15  16.692   5.936  16.622
  128   HG21  VAL  15          3HG2      VAL  15  14.335   7.142  13.367
  129   HG22  VAL  15          1HG2      VAL  15  13.983   7.610  15.030
  130   HG23  VAL  15          2HG2      VAL  15  15.165   8.520  14.090
  131    H    GLY  16           H        GLY  16  17.931   4.804  13.082
  132    HA2  GLY  16           2HA      GLY  16  19.322   3.689  15.300
  133    HA3  GLY  16           3HA      GLY  16  19.336   3.074  13.654
  134    H    ALA  17           H        ALA  17  20.362   5.432  12.413
  135    HA   ALA  17           HA       ALA  17  23.143   4.982  12.804
  136    HB1  ALA  17           1HB      ALA  17  22.008   7.320  11.307
  137    HB2  ALA  17           2HB      ALA  17  23.496   6.423  11.000
  138    HB3  ALA  17           3HB      ALA  17  21.932   5.682  10.658
  139    H    ILE  18           H        ILE  18  20.869   7.351  13.981
  140    HA   ILE  18           HA       ILE  18  23.008   8.996  15.098
  141    HB   ILE  18           HB       ILE  18  20.023   9.424  15.248
  142   HG12  ILE  18          2HG1      ILE  18  22.056  10.674  13.387
  143   HG13  ILE  18          3HG1      ILE  18  20.873   9.455  12.925
  144   HG21  ILE  18          1HG2      ILE  18  21.472  11.833  15.452
  145   HG22  ILE  18          2HG2      ILE  18  20.507  11.036  16.693
  146   HG23  ILE  18          3HG2      ILE  18  22.229  10.683  16.554
  147   HD11  ILE  18          3HD1      ILE  18  20.511  12.337  13.497
  148   HD12  ILE  18          1HD1      ILE  18  19.784  11.325  12.249
  149   HD13  ILE  18          2HD1      ILE  18  19.194  11.240  13.909
  Start of MODEL    8
    1    H1   ASP   1           H        ASP   1   0.463   0.639   0.104
    2    HA   ASP   1           HA       ASP   1   1.286  -1.247  -1.869
    3    HB2  ASP   1           2HB      ASP   1   1.157   1.703  -1.634
    4    HB3  ASP   1           3HB      ASP   1   2.344   1.068  -2.770
    5    HA   PRO   2           HA       PRO   2   5.532  -1.865  -0.964
    6    HB2  PRO   2           2HB      PRO   2   6.673  -1.810  -3.427
    7    HB3  PRO   2           3HB      PRO   2   5.656  -3.144  -2.869
    8    HG2  PRO   2           2HG      PRO   2   4.946  -0.827  -4.628
    9    HG3  PRO   2           3HG      PRO   2   4.507  -2.537  -4.798
   10    HD2  PRO   2           2HD      PRO   2   2.804  -0.689  -3.789
   11    HD3  PRO   2           3HD      PRO   2   2.801  -2.383  -3.255
   12    H    ARG   3           H        ARG   3   4.570   1.010  -2.627
   13    HA   ARG   3           HA       ARG   3   7.191   2.250  -2.378
   14    HB2  ARG   3           2HB      ARG   3   4.578   3.367  -3.412
   15    HB3  ARG   3           3HB      ARG   3   6.133   4.184  -3.479
   16    HG2  ARG   3           2HG      ARG   3   6.472   1.641  -4.662
   17    HG3  ARG   3           3HG      ARG   3   4.997   2.346  -5.327
   18    HD2  ARG   3           2HD      ARG   3   6.992   2.931  -6.643
   19    HD3  ARG   3           3HD      ARG   3   6.200   4.349  -5.957
   20    HE   ARG   3           HE       ARG   3   8.167   3.578  -4.163
   21   HH11  ARG   3          1HH1      ARG   3   7.967   4.705  -7.451
   22   HH12  ARG   3          2HH1      ARG   3   9.520   5.473  -7.420
   23   HH21  ARG   3          1HH2      ARG   3  10.213   4.585  -4.110
   24   HH22  ARG   3          2HH2      ARG   3  10.797   5.403  -5.519
   25    H    ILE   4           H        ILE   4   4.634   1.704  -0.370
   26    HA   ILE   4           HA       ILE   4   4.877   4.256   1.051
   27    HB   ILE   4           HB       ILE   4   2.930   1.978   1.415
   28   HG12  ILE   4          2HG1      ILE   4   2.515   4.814   0.445
   29   HG13  ILE   4          3HG1      ILE   4   2.587   3.393  -0.592
   30   HG21  ILE   4          1HG2      ILE   4   3.217   4.566   2.928
   31   HG22  ILE   4          2HG2      ILE   4   1.782   3.543   2.990
   32   HG23  ILE   4          3HG2      ILE   4   3.330   2.927   3.569
   33   HD11  ILE   4          3HD1      ILE   4   0.495   4.088   1.445
   34   HD12  ILE   4          1HD1      ILE   4   0.307   3.924  -0.300
   35   HD13  ILE   4          2HD1      ILE   4   0.621   2.499   0.691
   36    H    ALA   5           H        ALA   5   5.720   0.903   1.262
   37    HA   ALA   5           HA       ALA   5   6.348   0.994   4.083
   38    HB1  ALA   5           1HB      ALA   5   7.520  -1.287   3.175
   39    HB2  ALA   5           2HB      ALA   5   5.844  -1.160   3.711
   40    HB3  ALA   5           3HB      ALA   5   6.231  -1.057   1.993
   41    H    ALA   6           H        ALA   6   8.022   1.337   1.035
   42    HA   ALA   6           HA       ALA   6  10.658   0.949   1.854
   43    HB1  ALA   6           1HB      ALA   6  10.584   3.069  -0.045
   44    HB2  ALA   6           2HB      ALA   6  11.010   1.375  -0.293
   45    HB3  ALA   6           3HB      ALA   6   9.333   1.896  -0.458
   46    H    ARG   7           H        ARG   7   8.477   3.557   2.484
   47    HA   ARG   7           HA       ARG   7  10.632   5.307   3.396
   48    HB2  ARG   7           2HB      ARG   7   8.019   5.723   2.325
   49    HB3  ARG   7           3HB      ARG   7   8.072   6.424   3.937
   50    HG2  ARG   7           2HG      ARG   7  10.331   7.444   3.065
   51    HG3  ARG   7           3HG      ARG   7   9.582   7.173   1.490
   52    HD2  ARG   7           2HD      ARG   7   7.702   8.359   3.320
   53    HD3  ARG   7           3HD      ARG   7   9.172   9.329   3.228
   54    HE   ARG   7           HE       ARG   7   8.202   8.566   0.650
   55   HH11  ARG   7          1HH1      ARG   7   7.803  10.844   3.252
   56   HH12  ARG   7          2HH1      ARG   7   7.143  12.085   2.239
   57   HH21  ARG   7          1HH2      ARG   7   7.335  10.192  -0.695
   58   HH22  ARG   7          2HH2      ARG   7   6.876  11.712  -0.006
   59    H    GLY   8           H        GLY   8   8.198   3.168   4.606
   60    HA2  GLY   8           2HA      GLY   8   8.010   4.212   7.243
   61    HA3  GLY   8           3HA      GLY   8   7.549   2.593   6.736
   62    H    ARG   9           H        ARG   9  10.234   2.000   5.692
   63    HA   ARG   9           HA       ARG   9  11.393   1.131   8.192
   64    HB2  ARG   9           2HB      ARG   9  11.267  -0.365   6.218
   65    HB3  ARG   9           3HB      ARG   9  12.371   0.705   5.364
   66    HG2  ARG   9           2HG      ARG   9  14.029  -0.535   6.152
   67    HG3  ARG   9           3HG      ARG   9  13.670   0.124   7.749
   68    HD2  ARG   9           2HD      ARG   9  12.356  -1.723   8.339
   69    HD3  ARG   9           3HD      ARG   9  12.193  -2.251   6.665
   70    HE   ARG   9           HE       ARG   9  14.367  -2.822   8.465
   71   HH11  ARG   9          1HH1      ARG   9  13.368  -2.599   5.137
   72   HH12  ARG   9          2HH1      ARG   9  14.600  -3.671   4.560
   73   HH21  ARG   9          1HH2      ARG   9  15.994  -4.234   7.717
   74   HH22  ARG   9          2HH2      ARG   9  16.093  -4.602   6.028
   75    H    ALA  10           H        ALA  10  11.960   3.582   5.803
   76    HA   ALA  10           HA       ALA  10  14.659   4.146   6.274
   77    HB1  ALA  10           1HB      ALA  10  12.704   5.168   4.648
   78    HB2  ALA  10           2HB      ALA  10  13.026   6.506   5.752
   79    HB3  ALA  10           3HB      ALA  10  14.341   5.804   4.810
   80    H    ARG  11           H        ARG  11  11.763   5.076   8.023
   81    HA   ARG  11           HA       ARG  11  12.694   7.156   9.578
   82    HB2  ARG  11           2HB      ARG  11  10.350   6.213   9.513
   83    HB3  ARG  11           3HB      ARG  11  10.907   4.948  10.600
   84    HG2  ARG  11           2HG      ARG  11  11.485   6.637  12.270
   85    HG3  ARG  11           3HG      ARG  11  10.920   7.903  11.179
   86    HD2  ARG  11           2HD      ARG  11   9.076   5.665  11.858
   87    HD3  ARG  11           3HD      ARG  11   9.362   6.920  13.063
   88    HE   ARG  11           HE       ARG  11   7.801   7.150  10.688
   89   HH11  ARG  11          1HH1      ARG  11   9.848   8.920  12.878
   90   HH12  ARG  11          2HH1      ARG  11   9.118  10.452  12.529
   91   HH21  ARG  11          1HH2      ARG  11   6.831   9.161  10.220
   92   HH22  ARG  11          2HH2      ARG  11   7.402  10.588  11.018
   93    H    LEU  12           H        LEU  12  12.439   3.834  10.841
   94    HA   LEU  12           HA       LEU  12  14.104   4.200  13.029
   95    HB2  LEU  12           2HB      LEU  12  13.748   1.648  11.466
   96    HB3  LEU  12           3HB      LEU  12  14.270   1.790  13.143
   97    HG   LEU  12           HG       LEU  12  11.574   2.788  12.298
   98   HD11  LEU  12          1HD1      LEU  12  12.170   0.282  11.680
   99   HD12  LEU  12          2HD1      LEU  12  10.599   0.734  12.342
  100   HD13  LEU  12          3HD1      LEU  12  11.834   0.044  13.395
  101   HD21  LEU  12          3HD2      LEU  12  12.984   2.117  14.824
  102   HD22  LEU  12          1HD2      LEU  12  11.246   1.829  14.745
  103   HD23  LEU  12          2HD2      LEU  12  11.886   3.448  14.457
  104    H    ARG  13           H        ARG  13  14.896   3.541   9.695
  105    HA   ARG  13           HA       ARG  13  17.516   2.630   9.968
  106    HB2  ARG  13           2HB      ARG  13  15.952   2.963   7.861
  107    HB3  ARG  13           3HB      ARG  13  16.827   4.483   7.731
  108    HG2  ARG  13           2HG      ARG  13  18.091   1.751   7.811
  109    HG3  ARG  13           3HG      ARG  13  17.813   2.711   6.356
  110    HD2  ARG  13           2HD      ARG  13  19.139   4.501   7.884
  111    HD3  ARG  13           3HD      ARG  13  19.855   2.996   8.462
  112    HE   ARG  13           HE       ARG  13  20.205   4.208   5.871
  113   HH11  ARG  13          1HH1      ARG  13  20.387   1.269   7.728
  114   HH12  ARG  13          2HH1      ARG  13  21.520   0.510   6.659
  115   HH21  ARG  13          1HH2      ARG  13  21.696   3.220   4.456
  116   HH22  ARG  13          2HH2      ARG  13  22.264   1.621   4.798
  117    H    ALA  14           H        ALA  14  16.307   5.956   9.629
  118    HA   ALA  14           HA       ALA  14  18.871   7.169   9.802
  119    HB1  ALA  14           1HB      ALA  14  17.418   8.612   8.818
  120    HB2  ALA  14           2HB      ALA  14  16.061   8.114   9.829
  121    HB3  ALA  14           3HB      ALA  14  17.294   9.196  10.478
  122    H    VAL  15           H        VAL  15  16.325   6.488  12.160
  123    HA   VAL  15           HA       VAL  15  17.395   7.875  14.339
  124    HB   VAL  15           HB       VAL  15  15.785   5.318  14.391
  125   HG11  VAL  15          1HG1      VAL  15  15.079   6.247  16.646
  126   HG12  VAL  15          2HG1      VAL  15  16.717   5.598  16.538
  127   HG13  VAL  15          3HG1      VAL  15  16.454   7.342  16.511
  128   HG21  VAL  15          3HG2      VAL  15  14.170   7.486  15.069
  129   HG22  VAL  15          1HG2      VAL  15  15.102   8.029  13.673
  130   HG23  VAL  15          2HG2      VAL  15  14.131   6.561  13.568
  131    H    GLY  16           H        GLY  16  18.090   4.665  13.071
  132    HA2  GLY  16           2HA      GLY  16  19.583   3.678  15.238
  133    HA3  GLY  16           3HA      GLY  16  19.741   3.151  13.570
  134    H    ALA  17           H        ALA  17  20.407   5.958  12.751
  135    HA   ALA  17           HA       ALA  17  23.224   5.717  12.904
  136    HB1  ALA  17           1HB      ALA  17  21.962   6.814  11.050
  137    HB2  ALA  17           2HB      ALA  17  21.666   8.177  12.131
  138    HB3  ALA  17           3HB      ALA  17  23.316   7.760  11.669
  139    H    ILE  18           H        ILE  18  21.022   8.146  14.314
  140    HA   ILE  18           HA       ILE  18  23.133   9.144  16.027
  141    HB   ILE  18           HB       ILE  18  20.214   9.916  15.933
  142   HG12  ILE  18          2HG1      ILE  18  21.817  11.990  14.941
  143   HG13  ILE  18          3HG1      ILE  18  22.447  10.527  14.193
  144   HG21  ILE  18          1HG2      ILE  18  21.220  12.041  16.995
  145   HG22  ILE  18          2HG2      ILE  18  20.965  10.624  18.013
  146   HG23  ILE  18          3HG2      ILE  18  22.580  10.999  17.413
  147   HD11  ILE  18          3HD1      ILE  18  20.549  10.156  12.999
  148   HD12  ILE  18          1HD1      ILE  18  19.511  10.940  14.190
  149   HD13  ILE  18          2HD1      ILE  18  20.499  11.916  13.103
  Start of MODEL    9
    1    H1   ASP   1           H        ASP   1   1.296   0.345   0.557
    2    HA   ASP   1           HA       ASP   1   1.409  -1.403  -1.794
    3    HB2  ASP   1           2HB      ASP   1   1.144   1.496  -1.819
    4    HB3  ASP   1           3HB      ASP   1   2.590   0.958  -2.669
    5    HA   PRO   2           HA       PRO   2   5.614  -2.056  -0.735
    6    HB2  PRO   2           2HB      PRO   2   6.816  -2.210  -3.164
    7    HB3  PRO   2           3HB      PRO   2   5.750  -3.474  -2.537
    8    HG2  PRO   2           2HG      PRO   2   5.146  -1.276  -4.478
    9    HG3  PRO   2           3HG      PRO   2   4.666  -2.982  -4.535
   10    HD2  PRO   2           2HD      PRO   2   2.988  -1.024  -3.708
   11    HD3  PRO   2           3HD      PRO   2   2.928  -2.673  -3.053
   12    H    ARG   3           H        ARG   3   4.775   0.708  -2.641
   13    HA   ARG   3           HA       ARG   3   7.419   1.899  -2.400
   14    HB2  ARG   3           2HB      ARG   3   4.871   2.995  -3.603
   15    HB3  ARG   3           3HB      ARG   3   6.449   3.766  -3.681
   16    HG2  ARG   3           2HG      ARG   3   7.050   1.354  -4.715
   17    HG3  ARG   3           3HG      ARG   3   5.366   1.507  -5.219
   18    HD2  ARG   3           2HD      ARG   3   6.774   2.407  -6.944
   19    HD3  ARG   3           3HD      ARG   3   5.908   3.733  -6.170
   20    HE   ARG   3           HE       ARG   3   8.273   3.609  -4.827
   21   HH11  ARG   3          1HH1      ARG   3   7.378   3.908  -8.178
   22   HH12  ARG   3          2HH1      ARG   3   8.787   4.821  -8.608
   23   HH21  ARG   3          1HH2      ARG   3  10.131   4.812  -5.380
   24   HH22  ARG   3          2HH2      ARG   3  10.352   5.334  -7.015
   25    H    ILE   4           H        ILE   4   4.787   1.572  -0.442
   26    HA   ILE   4           HA       ILE   4   5.054   4.220   0.786
   27    HB   ILE   4           HB       ILE   4   3.034   2.027   1.258
   28   HG12  ILE   4          2HG1      ILE   4   2.723   4.790   0.064
   29   HG13  ILE   4          3HG1      ILE   4   2.800   3.296  -0.863
   30   HG21  ILE   4          1HG2      ILE   4   1.881   3.755   2.660
   31   HG22  ILE   4          2HG2      ILE   4   3.375   3.117   3.345
   32   HG23  ILE   4          3HG2      ILE   4   3.362   4.708   2.585
   33   HD11  ILE   4          3HD1      ILE   4   0.766   2.526   0.332
   34   HD12  ILE   4          1HD1      ILE   4   0.663   4.117   1.085
   35   HD13  ILE   4          2HD1      ILE   4   0.519   3.959  -0.666
   36    H    ALA   5           H        ALA   5   5.798   0.874   1.281
   37    HA   ALA   5           HA       ALA   5   6.338   1.167   4.106
   38    HB1  ALA   5           1HB      ALA   5   6.877  -1.118   2.214
   39    HB2  ALA   5           2HB      ALA   5   7.119  -1.166   3.961
   40    HB3  ALA   5           3HB      ALA   5   5.497  -0.953   3.300
   41    H    ALA   6           H        ALA   6   8.118   1.229   1.100
   42    HA   ALA   6           HA       ALA   6  10.714   0.842   2.036
   43    HB1  ALA   6           1HB      ALA   6  11.146   1.085  -0.124
   44    HB2  ALA   6           2HB      ALA   6   9.491   1.636  -0.387
   45    HB3  ALA   6           3HB      ALA   6  10.762   2.804  -0.025
   46    H    ARG   7           H        ARG   7   8.586   3.544   2.386
   47    HA   ARG   7           HA       ARG   7  10.757   5.308   3.230
   48    HB2  ARG   7           2HB      ARG   7   8.211   5.707   2.023
   49    HB3  ARG   7           3HB      ARG   7   8.192   6.505   3.590
   50    HG2  ARG   7           2HG      ARG   7  10.545   7.391   2.731
   51    HG3  ARG   7           3HG      ARG   7   9.776   7.113   1.167
   52    HD2  ARG   7           2HD      ARG   7   7.870   8.392   2.804
   53    HD3  ARG   7           3HD      ARG   7   9.389   9.261   3.015
   54    HE   ARG   7           HE       ARG   7   8.720   8.727   0.268
   55   HH11  ARG   7          1HH1      ARG   7   8.335  10.919   2.946
   56   HH12  ARG   7          2HH1      ARG   7   7.985  12.288   1.943
   57   HH21  ARG   7          1HH2      ARG   7   8.260  10.522  -1.062
   58   HH22  ARG   7          2HH2      ARG   7   7.942  12.061  -0.336
   59    H    GLY   8           H        GLY   8   8.230   3.330   4.522
   60    HA2  GLY   8           2HA      GLY   8   7.987   4.583   7.061
   61    HA3  GLY   8           3HA      GLY   8   7.500   2.941   6.668
   62    H    ARG   9           H        ARG   9  10.200   2.202   5.764
   63    HA   ARG   9           HA       ARG   9  11.236   1.433   8.332
   64    HB2  ARG   9           2HB      ARG   9  11.260  -0.104   6.401
   65    HB3  ARG   9           3HB      ARG   9  12.370   0.976   5.567
   66    HG2  ARG   9           2HG      ARG   9  14.153   0.322   6.798
   67    HG3  ARG   9           3HG      ARG   9  13.188   0.038   8.248
   68    HD2  ARG   9           2HD      ARG   9  12.314  -2.018   7.280
   69    HD3  ARG   9           3HD      ARG   9  13.228  -1.725   5.801
   70    HE   ARG   9           HE       ARG   9  14.209  -2.876   8.209
   71   HH11  ARG   9          1HH1      ARG   9  15.111  -0.845   5.529
   72   HH12  ARG   9          2HH1      ARG   9  16.795  -1.243   5.625
   73   HH21  ARG   9          1HH2      ARG   9  16.423  -3.407   8.346
   74   HH22  ARG   9          2HH2      ARG   9  17.540  -2.701   7.228
   75    H    ALA  10           H        ALA  10  12.001   3.804   5.894
   76    HA   ALA  10           HA       ALA  10  14.630   4.421   6.487
   77    HB1  ALA  10           1HB      ALA  10  12.365   6.195   5.605
   78    HB2  ALA  10           2HB      ALA  10  14.038   6.745   5.718
   79    HB3  ALA  10           3HB      ALA  10  13.611   5.444   4.607
   80    H    ARG  11           H        ARG  11  11.683   5.393   8.158
   81    HA   ARG  11           HA       ARG  11  12.641   7.381   9.813
   82    HB2  ARG  11           2HB      ARG  11  10.260   6.559   9.616
   83    HB3  ARG  11           3HB      ARG  11  10.704   5.239  10.690
   84    HG2  ARG  11           2HG      ARG  11  11.287   6.851  12.432
   85    HG3  ARG  11           3HG      ARG  11  10.834   8.173  11.354
   86    HD2  ARG  11           2HD      ARG  11   8.581   6.763  11.225
   87    HD3  ARG  11           3HD      ARG  11   9.130   6.232  12.814
   88    HE   ARG  11           HE       ARG  11   9.202   9.079  12.492
   89   HH11  ARG  11          1HH1      ARG  11   7.180   6.358  13.284
   90   HH12  ARG  11          2HH1      ARG  11   6.063   7.295  14.220
   91   HH21  ARG  11          1HH2      ARG  11   7.738  10.323  13.721
   92   HH22  ARG  11          2HH2      ARG  11   6.381   9.550  14.468
   93    H    LEU  12           H        LEU  12  12.168   4.043  10.966
   94    HA   LEU  12           HA       LEU  12  13.751   4.270  13.234
   95    HB2  LEU  12           2HB      LEU  12  13.293   1.792  11.579
   96    HB3  LEU  12           3HB      LEU  12  13.813   1.837  13.262
   97    HG   LEU  12           HG       LEU  12  11.149   2.877  12.310
   98   HD11  LEU  12          1HD1      LEU  12  11.932   0.163  13.342
   99   HD12  LEU  12          2HD1      LEU  12  11.110   0.561  11.833
  100   HD13  LEU  12          3HD1      LEU  12  10.275   0.767  13.373
  101   HD21  LEU  12          3HD2      LEU  12  11.396   3.851  14.349
  102   HD22  LEU  12          1HD2      LEU  12  12.525   2.624  14.924
  103   HD23  LEU  12          2HD2      LEU  12  10.796   2.279  14.878
  104    H    ARG  13           H        ARG  13  14.647   3.561   9.923
  105    HA   ARG  13           HA       ARG  13  17.220   2.561  10.324
  106    HB2  ARG  13           2HB      ARG  13  15.754   2.902   8.147
  107    HB3  ARG  13           3HB      ARG  13  16.691   4.385   8.021
  108    HG2  ARG  13           2HG      ARG  13  17.845   1.610   8.212
  109    HG3  ARG  13           3HG      ARG  13  17.664   2.546   6.727
  110    HD2  ARG  13           2HD      ARG  13  19.433   3.123   9.090
  111    HD3  ARG  13           3HD      ARG  13  19.910   2.821   7.419
  112    HE   ARG  13           HE       ARG  13  19.135   5.318   8.552
  113   HH11  ARG  13          1HH1      ARG  13  19.072   3.436   5.624
  114   HH12  ARG  13          2HH1      ARG  13  19.002   4.819   4.582
  115   HH21  ARG  13          1HH2      ARG  13  19.043   7.146   7.191
  116   HH22  ARG  13          2HH2      ARG  13  18.986   6.929   5.475
  117    H    ALA  14           H        ALA  14  16.202   5.924   9.730
  118    HA   ALA  14           HA       ALA  14  18.742   7.084   9.954
  119    HB1  ALA  14           1HB      ALA  14  17.673   9.025   9.607
  120    HB2  ALA  14           2HB      ALA  14  16.262   8.004   9.329
  121    HB3  ALA  14           3HB      ALA  14  16.520   8.739  10.911
  122    H    VAL  15           H        VAL  15  16.296   6.350  12.389
  123    HA   VAL  15           HA       VAL  15  17.530   7.697  14.544
  124    HB   VAL  15           HB       VAL  15  15.695   5.297  14.622
  125   HG11  VAL  15          1HG1      VAL  15  16.908   6.997  16.717
  126   HG12  VAL  15          2HG1      VAL  15  15.205   6.579  16.917
  127   HG13  VAL  15          3HG1      VAL  15  16.417   5.305  16.771
  128   HG21  VAL  15          3HG2      VAL  15  15.242   8.205  14.279
  129   HG22  VAL  15          1HG2      VAL  15  14.325   6.832  13.660
  130   HG23  VAL  15          2HG2      VAL  15  14.131   7.337  15.338
  131    H    GLY  16           H        GLY  16  17.625   4.285  13.526
  132    HA2  GLY  16           2HA      GLY  16  19.410   3.469  15.583
  133    HA3  GLY  16           3HA      GLY  16  19.037   2.570  14.120
  134    H    ALA  17           H        ALA  17  19.883   4.901  12.450
  135    HA   ALA  17           HA       ALA  17  22.495   4.106  11.897
  136    HB1  ALA  17           1HB      ALA  17  22.073   5.333  10.101
  137    HB2  ALA  17           2HB      ALA  17  20.645   6.012  10.883
  138    HB3  ALA  17           3HB      ALA  17  22.212   6.799  11.072
  139    H    ILE  18           H        ILE  18  21.442   7.123  13.490
  140    HA   ILE  18           HA       ILE  18  24.090   7.839  14.267
  141    HB   ILE  18           HB       ILE  18  21.462   8.875  15.337
  142   HG12  ILE  18          2HG1      ILE  18  23.234  10.018  13.169
  143   HG13  ILE  18          3HG1      ILE  18  21.750   9.120  12.871
  144   HG21  ILE  18          1HG2      ILE  18  23.213   9.440  16.851
  145   HG22  ILE  18          2HG2      ILE  18  24.278   9.921  15.531
  146   HG23  ILE  18          3HG2      ILE  18  22.848  10.883  15.906
  147   HD11  ILE  18          3HD1      ILE  18  20.719  11.080  12.894
  148   HD12  ILE  18          1HD1      ILE  18  20.980  11.093  14.638
  149   HD13  ILE  18          2HD1      ILE  18  22.129  11.898  13.568
  Start of MODEL   10
    1    H1   ASP   1           H        ASP   1  -0.294   0.412  -0.054
    2    HA   ASP   1           HA       ASP   1   0.995  -0.781  -1.641
    3    HB2  ASP   1           2HB      ASP   1   1.288   2.174  -1.739
    4    HB3  ASP   1           3HB      ASP   1   2.328   1.236  -2.807
    5    HA   PRO   2           HA       PRO   2   5.124  -1.826  -0.598
    6    HB2  PRO   2           2HB      PRO   2   6.270  -2.196  -3.031
    7    HB3  PRO   2           3HB      PRO   2   5.089  -3.318  -2.345
    8    HG2  PRO   2           2HG      PRO   2   4.687  -1.145  -4.365
    9    HG3  PRO   2           3HG      PRO   2   4.033  -2.794  -4.350
   10    HD2  PRO   2           2HD      PRO   2   2.578  -0.642  -3.585
   11    HD3  PRO   2           3HD      PRO   2   2.357  -2.249  -2.865
   12    H    ARG   3           H        ARG   3   4.555   0.929  -2.620
   13    HA   ARG   3           HA       ARG   3   7.309   1.851  -2.438
   14    HB2  ARG   3           2HB      ARG   3   4.879   3.150  -3.683
   15    HB3  ARG   3           3HB      ARG   3   6.528   3.750  -3.799
   16    HG2  ARG   3           2HG      ARG   3   6.990   1.363  -4.784
   17    HG3  ARG   3           3HG      ARG   3   5.260   1.414  -5.130
   18    HD2  ARG   3           2HD      ARG   3   6.480   3.903  -5.868
   19    HD3  ARG   3           3HD      ARG   3   7.356   2.565  -6.611
   20    HE   ARG   3           HE       ARG   3   4.581   2.198  -6.952
   21   HH11  ARG   3          1HH1      ARG   3   7.216   4.179  -8.071
   22   HH12  ARG   3          2HH1      ARG   3   6.501   4.485  -9.619
   23   HH21  ARG   3          1HH2      ARG   3   3.629   2.593  -8.987
   24   HH22  ARG   3          2HH2      ARG   3   4.460   3.582 -10.139
   25    H    ILE   4           H        ILE   4   4.671   1.883  -0.462
   26    HA   ILE   4           HA       ILE   4   5.218   4.541   0.647
   27    HB   ILE   4           HB       ILE   4   2.987   2.589   1.221
   28   HG12  ILE   4          2HG1      ILE   4   2.954   5.314  -0.095
   29   HG13  ILE   4          3HG1      ILE   4   2.866   3.780  -0.953
   30   HG21  ILE   4          1HG2      ILE   4   3.456   3.732   3.258
   31   HG22  ILE   4          2HG2      ILE   4   3.597   5.280   2.426
   32   HG23  ILE   4          3HG2      ILE   4   2.027   4.485   2.550
   33   HD11  ILE   4          3HD1      ILE   4   0.771   3.279   0.263
   34   HD12  ILE   4          1HD1      ILE   4   0.845   4.890   0.976
   35   HD13  ILE   4          2HD1      ILE   4   0.670   4.706  -0.769
   36    H    ALA   5           H        ALA   5   5.618   1.161   1.288
   37    HA   ALA   5           HA       ALA   5   6.205   1.521   4.097
   38    HB1  ALA   5           1HB      ALA   5   7.081  -0.981   3.540
   39    HB2  ALA   5           2HB      ALA   5   5.413  -0.578   3.948
   40    HB3  ALA   5           3HB      ALA   5   5.890  -0.750   2.259
   41    H    ALA   6           H        ALA   6   7.960   1.272   1.086
   42    HA   ALA   6           HA       ALA   6  10.510   0.660   2.031
   43    HB1  ALA   6           1HB      ALA   6   9.356   1.472  -0.420
   44    HB2  ALA   6           2HB      ALA   6  10.741   2.520  -0.113
   45    HB3  ALA   6           3HB      ALA   6  10.949   0.769  -0.140
   46    H    ARG   7           H        ARG   7   8.672   3.579   2.270
   47    HA   ARG   7           HA       ARG   7  11.019   5.144   3.033
   48    HB2  ARG   7           2HB      ARG   7   8.581   5.765   1.760
   49    HB3  ARG   7           3HB      ARG   7   8.531   6.562   3.327
   50    HG2  ARG   7           2HG      ARG   7  10.861   7.444   2.744
   51    HG3  ARG   7           3HG      ARG   7  10.490   6.940   1.094
   52    HD2  ARG   7           2HD      ARG   7   8.295   8.415   2.244
   53    HD3  ARG   7           3HD      ARG   7   9.791   9.344   2.331
   54    HE   ARG   7           HE       ARG   7   9.653   8.328  -0.234
   55   HH11  ARG   7          1HH1      ARG   7   7.768  10.449   1.782
   56   HH12  ARG   7          2HH1      ARG   7   7.158  11.382   0.456
   57   HH21  ARG   7          1HH2      ARG   7   8.856   9.548  -1.989
   58   HH22  ARG   7          2HH2      ARG   7   7.777  10.868  -1.689
   59    H    GLY   8           H        GLY   8   8.309   3.495   4.414
   60    HA2  GLY   8           2HA      GLY   8   8.214   4.872   6.897
   61    HA3  GLY   8           3HA      GLY   8   7.556   3.275   6.575
   62    H    ARG   9           H        ARG   9  10.168   2.234   5.694
   63    HA   ARG   9           HA       ARG   9  11.122   1.435   8.279
   64    HB2  ARG   9           2HB      ARG   9  11.017  -0.103   6.325
   65    HB3  ARG   9           3HB      ARG   9  12.287   0.838   5.555
   66    HG2  ARG   9           2HG      ARG   9  13.465   0.287   7.915
   67    HG3  ARG   9           3HG      ARG   9  12.444  -1.139   7.724
   68    HD2  ARG   9           2HD      ARG   9  13.394  -1.297   5.364
   69    HD3  ARG   9           3HD      ARG   9  14.599  -0.124   5.893
   70    HE   ARG   9           HE       ARG   9  14.498  -2.907   6.553
   71   HH11  ARG   9          1HH1      ARG   9  15.547   0.227   7.647
   72   HH12  ARG   9          2HH1      ARG   9  16.805  -0.403   8.659
   73   HH21  ARG   9          1HH2      ARG   9  16.150  -3.749   7.881
   74   HH22  ARG   9          2HH2      ARG   9  17.147  -2.664   8.790
   75    H    ALA  10           H        ALA  10  12.085   3.722   5.844
   76    HA   ALA  10           HA       ALA  10  14.769   4.096   6.512
   77    HB1  ALA  10           1HB      ALA  10  13.526   6.595   5.814
   78    HB2  ALA  10           2HB      ALA  10  14.655   5.606   4.887
   79    HB3  ALA  10           3HB      ALA  10  12.922   5.293   4.789
   80    H    ARG  11           H        ARG  11  11.849   5.216   8.067
   81    HA   ARG  11           HA       ARG  11  12.772   7.317   9.597
   82    HB2  ARG  11           2HB      ARG  11  10.406   6.442   9.453
   83    HB3  ARG  11           3HB      ARG  11  10.874   5.198  10.604
   84    HG2  ARG  11           2HG      ARG  11  11.427   6.922  12.246
   85    HG3  ARG  11           3HG      ARG  11  10.952   8.168  11.090
   86    HD2  ARG  11           2HD      ARG  11   9.125   5.997  12.107
   87    HD3  ARG  11           3HD      ARG  11   9.202   7.627  12.774
   88    HE   ARG  11           HE       ARG  11   8.738   8.052  10.142
   89   HH11  ARG  11          1HH1      ARG  11   7.188   6.091  12.565
   90   HH12  ARG  11          2HH1      ARG  11   5.617   6.211  11.844
   91   HH21  ARG  11          1HH2      ARG  11   6.675   8.217   9.183
   92   HH22  ARG  11          2HH2      ARG  11   5.327   7.420   9.919
   93    H    LEU  12           H        LEU  12  12.358   4.047  10.951
   94    HA   LEU  12           HA       LEU  12  13.961   4.453  13.189
   95    HB2  LEU  12           2HB      LEU  12  13.449   1.867  11.727
   96    HB3  LEU  12           3HB      LEU  12  14.038   2.017  13.381
   97    HG   LEU  12           HG       LEU  12  11.353   3.058  12.502
   98   HD11  LEU  12          1HD1      LEU  12  10.888   0.812  14.014
   99   HD12  LEU  12          2HD1      LEU  12  12.222   0.320  12.971
  100   HD13  LEU  12          3HD1      LEU  12  10.728   0.932  12.261
  101   HD21  LEU  12          3HD2      LEU  12  10.982   2.665  15.024
  102   HD22  LEU  12          1HD2      LEU  12  11.911   4.074  14.515
  103   HD23  LEU  12          2HD2      LEU  12  12.743   2.643  15.123
  104    H    ARG  13           H        ARG  13  14.810   3.532   9.925
  105    HA   ARG  13           HA       ARG  13  17.380   2.535  10.350
  106    HB2  ARG  13           2HB      ARG  13  15.889   2.765   8.176
  107    HB3  ARG  13           3HB      ARG  13  16.836   4.230   7.954
  108    HG2  ARG  13           2HG      ARG  13  17.972   1.462   8.287
  109    HG3  ARG  13           3HG      ARG  13  17.778   2.314   6.754
  110    HD2  ARG  13           2HD      ARG  13  19.551   3.065   9.069
  111    HD3  ARG  13           3HD      ARG  13  20.047   2.569   7.452
  112    HE   ARG  13           HE       ARG  13  18.511   4.810   7.079
  113   HH11  ARG  13          1HH1      ARG  13  21.399   4.023   8.857
  114   HH12  ARG  13          2HH1      ARG  13  22.068   5.616   8.729
  115   HH21  ARG  13          1HH2      ARG  13  19.382   6.911   6.904
  116   HH22  ARG  13          2HH2      ARG  13  20.920   7.258   7.619
  117    H    ALA  14           H        ALA  14  16.391   5.867   9.558
  118    HA   ALA  14           HA       ALA  14  18.930   7.024   9.676
  119    HB1  ALA  14           1HB      ALA  14  16.779   8.759  10.622
  120    HB2  ALA  14           2HB      ALA  14  17.849   8.931   9.229
  121    HB3  ALA  14           3HB      ALA  14  16.408   7.920   9.115
  122    H    VAL  15           H        VAL  15  16.535   6.468  12.214
  123    HA   VAL  15           HA       VAL  15  17.709   7.916  14.279
  124    HB   VAL  15           HB       VAL  15  16.261   5.283  14.579
  125   HG11  VAL  15          1HG1      VAL  15  15.727   6.009  16.789
  126   HG12  VAL  15          2HG1      VAL  15  17.470   6.184  16.578
  127   HG13  VAL  15          3HG1      VAL  15  16.423   7.602  16.495
  128   HG21  VAL  15          3HG2      VAL  15  14.621   6.401  13.497
  129   HG22  VAL  15          1HG2      VAL  15  14.381   7.139  15.082
  130   HG23  VAL  15          2HG2      VAL  15  15.318   7.983  13.848
  131    H    GLY  16           H        GLY  16  18.541   4.791  12.947
  132    HA2  GLY  16           2HA      GLY  16  20.189   3.898  15.073
  133    HA3  GLY  16           3HA      GLY  16  20.244   3.321  13.414
  134    H    ALA  17           H        ALA  17  20.795   5.949  12.290
  135    HA   ALA  17           HA       ALA  17  23.629   5.886  12.456
  136    HB1  ALA  17           1HB      ALA  17  21.685   7.050  10.764
  137    HB2  ALA  17           2HB      ALA  17  22.746   8.344  11.322
  138    HB3  ALA  17           3HB      ALA  17  23.427   6.933  10.512
  139    H    ILE  18           H        ILE  18  21.145   7.840  13.968
  140    HA   ILE  18           HA       ILE  18  21.214   9.496  15.533
  141    HB   ILE  18           HB       ILE  18  23.737   8.050  16.350
  142   HG12  ILE  18          2HG1      ILE  18  20.930   7.759  17.434
  143   HG13  ILE  18          3HG1      ILE  18  21.638   6.672  16.244
  144   HG21  ILE  18          1HG2      ILE  18  22.352  10.381  17.428
  145   HG22  ILE  18          2HG2      ILE  18  22.623   9.108  18.617
  146   HG23  ILE  18          3HG2      ILE  18  23.986   9.791  17.731
  147   HD11  ILE  18          3HD1      ILE  18  21.785   5.694  18.431
  148   HD12  ILE  18          1HD1      ILE  18  23.403   6.106  17.865
  149   HD13  ILE  18          2HD1      ILE  18  22.599   7.128  19.056
  Start of MODEL   11
    1    H1   ASP   1           H        ASP   1   1.349  -0.973   1.834
    2    HA   ASP   1           HA       ASP   1   1.250  -1.027  -0.572
    3    HB2  ASP   1           2HB      ASP   1   1.309   1.843  -0.089
    4    HB3  ASP   1           3HB      ASP   1   2.407   1.369  -1.382
    5    HA   PRO   2           HA       PRO   2   5.487  -2.124  -0.847
    6    HB2  PRO   2           2HB      PRO   2   5.974  -1.931  -3.511
    7    HB3  PRO   2           3HB      PRO   2   4.982  -3.213  -2.806
    8    HG2  PRO   2           2HG      PRO   2   4.127  -0.677  -4.149
    9    HG3  PRO   2           3HG      PRO   2   3.465  -2.313  -4.322
   10    HD2  PRO   2           2HD      PRO   2   2.294  -0.425  -2.775
   11    HD3  PRO   2           3HD      PRO   2   2.229  -2.155  -2.383
   12    H    ARG   3           H        ARG   3   4.629   0.831  -2.611
   13    HA   ARG   3           HA       ARG   3   7.363   1.813  -2.433
   14    HB2  ARG   3           2HB      ARG   3   4.889   3.085  -3.620
   15    HB3  ARG   3           3HB      ARG   3   6.522   3.727  -3.737
   16    HG2  ARG   3           2HG      ARG   3   6.598   1.057  -4.660
   17    HG3  ARG   3           3HG      ARG   3   5.218   1.850  -5.422
   18    HD2  ARG   3           2HD      ARG   3   8.024   2.953  -5.366
   19    HD3  ARG   3           3HD      ARG   3   7.323   2.062  -6.717
   20    HE   ARG   3           HE       ARG   3   5.574   4.111  -6.256
   21   HH11  ARG   3          1HH1      ARG   3   8.979   3.874  -6.945
   22   HH12  ARG   3          2HH1      ARG   3   9.051   5.397  -7.767
   23   HH21  ARG   3          1HH2      ARG   3   5.657   6.118  -7.336
   24   HH22  ARG   3          2HH2      ARG   3   7.161   6.673  -7.988
   25    H    ILE   4           H        ILE   4   4.745   1.732  -0.431
   26    HA   ILE   4           HA       ILE   4   5.241   4.373   0.741
   27    HB   ILE   4           HB       ILE   4   3.063   2.355   1.287
   28   HG12  ILE   4          2HG1      ILE   4   2.850   3.568  -0.847
   29   HG13  ILE   4          3HG1      ILE   4   1.588   4.033   0.288
   30   HG21  ILE   4          1HG2      ILE   4   3.673   4.999   2.579
   31   HG22  ILE   4          2HG2      ILE   4   2.078   4.251   2.643
   32   HG23  ILE   4          3HG2      ILE   4   3.467   3.427   3.350
   33   HD11  ILE   4          3HD1      ILE   4   3.472   5.672  -1.066
   34   HD12  ILE   4          1HD1      ILE   4   2.148   6.147  -0.002
   35   HD13  ILE   4          2HD1      ILE   4   3.743   5.808   0.671
   36    H    ALA   5           H        ALA   5   5.727   0.989   1.291
   37    HA   ALA   5           HA       ALA   5   6.335   1.291   4.102
   38    HB1  ALA   5           1HB      ALA   5   5.305  -0.770   3.198
   39    HB2  ALA   5           2HB      ALA   5   6.797  -1.093   2.315
   40    HB3  ALA   5           3HB      ALA   5   6.803  -1.072   4.078
   41    H    ALA   6           H        ALA   6   8.064   1.156   1.068
   42    HA   ALA   6           HA       ALA   6  10.637   0.582   1.972
   43    HB1  ALA   6           1HB      ALA   6  10.803   2.499  -0.127
   44    HB2  ALA   6           2HB      ALA   6  11.051   0.754  -0.199
   45    HB3  ALA   6           3HB      ALA   6   9.440   1.426  -0.447
   46    H    ARG   7           H        ARG   7   8.735   3.450   2.301
   47    HA   ARG   7           HA       ARG   7  11.052   5.051   3.080
   48    HB2  ARG   7           2HB      ARG   7   8.607   5.650   1.829
   49    HB3  ARG   7           3HB      ARG   7   8.517   6.385   3.424
   50    HG2  ARG   7           2HG      ARG   7  10.867   7.315   2.857
   51    HG3  ARG   7           3HG      ARG   7  10.417   6.945   1.191
   52    HD2  ARG   7           2HD      ARG   7   8.335   8.345   2.687
   53    HD3  ARG   7           3HD      ARG   7   9.830   9.265   2.532
   54    HE   ARG   7           HE       ARG   7   9.030   8.144   0.043
   55   HH11  ARG   7          1HH1      ARG   7   8.377  10.743   2.265
   56   HH12  ARG   7          2HH1      ARG   7   7.764  11.807   1.044
   57   HH21  ARG   7          1HH2      ARG   7   8.224   9.536  -1.575
   58   HH22  ARG   7          2HH2      ARG   7   7.677  11.120  -1.140
   59    H    GLY   8           H        GLY   8   8.397   3.305   4.445
   60    HA2  GLY   8           2HA      GLY   8   8.295   4.619   6.963
   61    HA3  GLY   8           3HA      GLY   8   7.671   3.015   6.608
   62    H    ARG   9           H        ARG   9  10.293   2.052   5.678
   63    HA   ARG   9           HA       ARG   9  11.287   1.198   8.225
   64    HB2  ARG   9           2HB      ARG   9  11.219  -0.245   6.179
   65    HB3  ARG   9           3HB      ARG   9  12.501   0.746   5.495
   66    HG2  ARG   9           2HG      ARG   9  13.276  -0.124   8.103
   67    HG3  ARG   9           3HG      ARG   9  12.746  -1.512   7.150
   68    HD2  ARG   9           2HD      ARG   9  14.238  -0.329   5.303
   69    HD3  ARG   9           3HD      ARG   9  15.039   0.329   6.729
   70    HE   ARG   9           HE       ARG   9  15.256  -2.318   5.734
   71   HH11  ARG   9          1HH1      ARG   9  15.134  -0.481   8.689
   72   HH12  ARG   9          2HH1      ARG   9  16.042  -1.641   9.601
   73   HH21  ARG   9          1HH2      ARG   9  16.453  -3.852   6.924
   74   HH22  ARG   9          2HH2      ARG   9  16.793  -3.558   8.595
   75    H    ALA  10           H        ALA  10  12.225   3.556   5.828
   76    HA   ALA  10           HA       ALA  10  14.878   4.003   6.511
   77    HB1  ALA  10           1HB      ALA  10  12.843   6.052   5.638
   78    HB2  ALA  10           2HB      ALA  10  14.596   6.233   5.565
   79    HB3  ALA  10           3HB      ALA  10  13.793   5.019   4.569
   80    H    ARG  11           H        ARG  11  11.938   5.035   8.114
   81    HA   ARG  11           HA       ARG  11  12.863   7.057   9.747
   82    HB2  ARG  11           2HB      ARG  11  10.493   6.206   9.546
   83    HB3  ARG  11           3HB      ARG  11  10.944   4.905  10.640
   84    HG2  ARG  11           2HG      ARG  11  11.497   6.547  12.365
   85    HG3  ARG  11           3HG      ARG  11  11.038   7.849  11.265
   86    HD2  ARG  11           2HD      ARG  11   9.151   5.639  12.038
   87    HD3  ARG  11           3HD      ARG  11   9.303   7.125  12.975
   88    HE   ARG  11           HE       ARG  11   8.836   7.653  10.214
   89   HH11  ARG  11          1HH1      ARG  11   7.280   6.734  13.189
   90   HH12  ARG  11          2HH1      ARG  11   5.735   7.370  12.730
   91   HH21  ARG  11          1HH2      ARG  11   6.807   8.494   9.598
   92   HH22  ARG  11          2HH2      ARG  11   5.467   8.370  10.687
   93    H    LEU  12           H        LEU  12  12.418   3.730  10.943
   94    HA   LEU  12           HA       LEU  12  13.950   3.982  13.229
   95    HB2  LEU  12           2HB      LEU  12  13.645   1.500  11.546
   96    HB3  LEU  12           3HB      LEU  12  14.094   1.558  13.250
   97    HG   LEU  12           HG       LEU  12  11.451   2.618  12.303
   98   HD11  LEU  12          1HD1      LEU  12  10.487   0.583  12.192
   99   HD12  LEU  12          2HD1      LEU  12  11.550  -0.110  13.416
  100   HD13  LEU  12          3HD1      LEU  12  12.119   0.075  11.757
  101   HD21  LEU  12          3HD2      LEU  12  11.353   1.366  14.825
  102   HD22  LEU  12          1HD2      LEU  12  11.237   3.088  14.460
  103   HD23  LEU  12          2HD2      LEU  12  12.808   2.365  14.806
  104    H    ARG  13           H        ARG  13  14.960   3.242   9.944
  105    HA   ARG  13           HA       ARG  13  17.569   2.392  10.443
  106    HB2  ARG  13           2HB      ARG  13  16.144   2.577   8.221
  107    HB3  ARG  13           3HB      ARG  13  17.006   4.101   8.061
  108    HG2  ARG  13           2HG      ARG  13  18.297   1.400   8.384
  109    HG3  ARG  13           3HG      ARG  13  18.106   2.270   6.861
  110    HD2  ARG  13           2HD      ARG  13  19.760   3.059   9.249
  111    HD3  ARG  13           3HD      ARG  13  20.324   2.662   7.626
  112    HE   ARG  13           HE       ARG  13  19.275   5.184   8.532
  113   HH11  ARG  13          1HH1      ARG  13  19.859   3.135   5.779
  114   HH12  ARG  13          2HH1      ARG  13  19.879   4.444   4.644
  115   HH21  ARG  13          1HH2      ARG  13  19.299   6.916   7.048
  116   HH22  ARG  13          2HH2      ARG  13  19.561   6.594   5.367
  117    H    ALA  14           H        ALA  14  16.426   5.674   9.640
  118    HA   ALA  14           HA       ALA  14  18.906   6.950   9.938
  119    HB1  ALA  14           1HB      ALA  14  16.072   7.913  10.019
  120    HB2  ALA  14           2HB      ALA  14  17.412   9.013  10.343
  121    HB3  ALA  14           3HB      ALA  14  17.308   8.184   8.790
  122    H    VAL  15           H        VAL  15  16.260   6.443  12.246
  123    HA   VAL  15           HA       VAL  15  17.366   7.901  14.379
  124    HB   VAL  15           HB       VAL  15  15.532   5.504  14.529
  125   HG11  VAL  15          1HG1      VAL  15  16.057   7.703  16.527
  126   HG12  VAL  15          2HG1      VAL  15  14.870   6.409  16.701
  127   HG13  VAL  15          3HG1      VAL  15  16.593   6.029  16.666
  128   HG21  VAL  15          3HG2      VAL  15  15.109   8.290  13.730
  129   HG22  VAL  15          1HG2      VAL  15  14.126   6.858  13.423
  130   HG23  VAL  15          2HG2      VAL  15  13.988   7.710  14.961
  131    H    GLY  16           H        GLY  16  17.991   4.692  13.177
  132    HA2  GLY  16           2HA      GLY  16  19.405   3.846  15.557
  133    HA3  GLY  16           3HA      GLY  16  19.261   2.951  14.052
  134    H    ALA  17           H        ALA  17  20.178   5.493  12.631
  135    HA   ALA  17           HA       ALA  17  22.999   4.845  12.744
  136    HB1  ALA  17           1HB      ALA  17  21.195   6.113  10.841
  137    HB2  ALA  17           2HB      ALA  17  22.755   6.927  10.969
  138    HB3  ALA  17           3HB      ALA  17  22.686   5.212  10.564
  139    H    ILE  18           H        ILE  18  21.280   7.972  12.684
  140    HA   ILE  18           HA       ILE  18  21.789   9.990  13.614
  141    HB   ILE  18           HB       ILE  18  22.691   8.240  15.904
  142   HG12  ILE  18          2HG1      ILE  18  20.368   7.822  15.244
  143   HG13  ILE  18          3HG1      ILE  18  20.437   8.639  16.801
  144   HG21  ILE  18          1HG2      ILE  18  22.324  11.178  15.611
  145   HG22  ILE  18          2HG2      ILE  18  21.910  10.421  17.148
  146   HG23  ILE  18          3HG2      ILE  18  23.547  10.277  16.507
  147   HD11  ILE  18          3HD1      ILE  18  19.093   9.418  14.410
  148   HD12  ILE  18          1HD1      ILE  18  19.041  10.155  16.011
  149   HD13  ILE  18          2HD1      ILE  18  20.273  10.652  14.851
  Start of MODEL   12
    1    H1   ASP   1           H        ASP   1   0.974   0.507   0.894
    2    HA   ASP   1           HA       ASP   1   1.001  -1.265  -1.462
    3    HB2  ASP   1           2HB      ASP   1   0.667   1.601  -1.265
    4    HB3  ASP   1           3HB      ASP   1   2.085   1.205  -2.233
    5    HA   PRO   2           HA       PRO   2   5.297  -1.954  -0.917
    6    HB2  PRO   2           2HB      PRO   2   6.227  -1.924  -3.467
    7    HB3  PRO   2           3HB      PRO   2   5.238  -3.239  -2.821
    8    HG2  PRO   2           2HG      PRO   2   4.422  -0.914  -4.521
    9    HG3  PRO   2           3HG      PRO   2   3.941  -2.616  -4.648
   10    HD2  PRO   2           2HD      PRO   2   2.362  -0.737  -3.505
   11    HD3  PRO   2           3HD      PRO   2   2.375  -2.429  -2.967
   12    H    ARG   3           H        ARG   3   4.305   0.894  -2.668
   13    HA   ARG   3           HA       ARG   3   6.949   2.097  -2.500
   14    HB2  ARG   3           2HB      ARG   3   4.348   3.208  -3.570
   15    HB3  ARG   3           3HB      ARG   3   5.917   3.993  -3.689
   16    HG2  ARG   3           2HG      ARG   3   5.149   1.366  -4.947
   17    HG3  ARG   3           3HG      ARG   3   5.319   2.914  -5.778
   18    HD2  ARG   3           2HD      ARG   3   7.502   1.387  -4.364
   19    HD3  ARG   3           3HD      ARG   3   7.301   1.552  -6.108
   20    HE   ARG   3           HE       ARG   3   7.465   4.115  -5.036
   21   HH11  ARG   3          1HH1      ARG   3   9.470   1.289  -5.371
   22   HH12  ARG   3          2HH1      ARG   3  10.952   2.185  -5.417
   23   HH21  ARG   3          1HH2      ARG   3   9.410   5.306  -5.095
   24   HH22  ARG   3          2HH2      ARG   3  10.917   4.470  -5.259
   25    H    ILE   4           H        ILE   4   4.400   1.698  -0.448
   26    HA   ILE   4           HA       ILE   4   4.700   4.313   0.842
   27    HB   ILE   4           HB       ILE   4   2.716   2.091   1.333
   28   HG12  ILE   4          2HG1      ILE   4   2.337   4.884   0.231
   29   HG13  ILE   4          3HG1      ILE   4   2.387   3.416  -0.740
   30   HG21  ILE   4          1HG2      ILE   4   1.609   3.764   2.832
   31   HG22  ILE   4          2HG2      ILE   4   3.140   3.131   3.434
   32   HG23  ILE   4          3HG2      ILE   4   3.072   4.741   2.718
   33   HD11  ILE   4          3HD1      ILE   4   0.458   2.852   1.126
   34   HD12  ILE   4          1HD1      ILE   4   0.210   4.566   0.797
   35   HD13  ILE   4          2HD1      ILE   4   0.177   3.401  -0.526
   36    H    ALA   5           H        ALA   5   5.486   0.960   1.213
   37    HA   ALA   5           HA       ALA   5   6.138   1.179   4.021
   38    HB1  ALA   5           1HB      ALA   5   5.370  -0.943   3.465
   39    HB2  ALA   5           2HB      ALA   5   6.334  -1.014   1.990
   40    HB3  ALA   5           3HB      ALA   5   7.118  -1.158   3.563
   41    H    ALA   6           H        ALA   6   7.793   1.340   0.948
   42    HA   ALA   6           HA       ALA   6  10.428   0.947   1.767
   43    HB1  ALA   6           1HB      ALA   6  10.770   1.254  -0.401
   44    HB2  ALA   6           2HB      ALA   6   9.102   1.798  -0.581
   45    HB3  ALA   6           3HB      ALA   6  10.378   2.966  -0.238
   46    H    ARG   7           H        ARG   7   8.298   3.622   2.278
   47    HA   ARG   7           HA       ARG   7  10.490   5.377   3.084
   48    HB2  ARG   7           2HB      ARG   7   7.891   5.790   1.996
   49    HB3  ARG   7           3HB      ARG   7   7.939   6.550   3.581
   50    HG2  ARG   7           2HG      ARG   7  10.166   7.575   2.752
   51    HG3  ARG   7           3HG      ARG   7   9.564   7.149   1.148
   52    HD2  ARG   7           2HD      ARG   7   7.539   8.452   2.762
   53    HD3  ARG   7           3HD      ARG   7   8.981   9.449   2.585
   54    HE   ARG   7           HE       ARG   7   7.087   8.759   0.535
   55   HH11  ARG   7          1HH1      ARG   7  10.351   9.767   1.203
   56   HH12  ARG   7          2HH1      ARG   7  10.590  10.478  -0.359
   57   HH21  ARG   7          1HH2      ARG   7   7.389   9.691  -1.525
   58   HH22  ARG   7          2HH2      ARG   7   8.904  10.435  -1.910
   59    H    GLY   8           H        GLY   8   8.029   3.346   4.420
   60    HA2  GLY   8           2HA      GLY   8   7.881   4.526   7.001
   61    HA3  GLY   8           3HA      GLY   8   7.388   2.893   6.581
   62    H    ARG   9           H        ARG   9  10.060   2.209   5.546
   63    HA   ARG   9           HA       ARG   9  11.204   1.384   8.055
   64    HB2  ARG   9           2HB      ARG   9  11.123  -0.087   6.043
   65    HB3  ARG   9           3HB      ARG   9  12.274   0.985   5.257
   66    HG2  ARG   9           2HG      ARG   9  13.927   0.484   6.982
   67    HG3  ARG   9           3HG      ARG   9  12.770  -0.587   7.777
   68    HD2  ARG   9           2HD      ARG   9  12.710  -2.009   5.799
   69    HD3  ARG   9           3HD      ARG   9  13.826  -0.923   4.971
   70    HE   ARG   9           HE       ARG   9  15.187  -1.618   7.200
   71   HH11  ARG   9          1HH1      ARG   9  13.555  -3.450   4.730
   72   HH12  ARG   9          2HH1      ARG   9  14.609  -4.819   4.865
   73   HH21  ARG   9          1HH2      ARG   9  16.582  -3.414   7.387
   74   HH22  ARG   9          2HH2      ARG   9  16.330  -4.797   6.378
   75    H    ALA  10           H        ALA  10  11.832   3.818   5.649
   76    HA   ALA  10           HA       ALA  10  14.502   4.414   6.187
   77    HB1  ALA  10           1HB      ALA  10  13.416   6.861   5.606
   78    HB2  ALA  10           2HB      ALA  10  13.954   5.671   4.421
   79    HB3  ALA  10           3HB      ALA  10  12.254   5.746   4.886
   80    H    ARG  11           H        ARG  11  11.572   5.307   7.897
   81    HA   ARG  11           HA       ARG  11  12.457   7.387   9.477
   82    HB2  ARG  11           2HB      ARG  11  10.126   6.420   9.372
   83    HB3  ARG  11           3HB      ARG  11  10.680   5.155  10.461
   84    HG2  ARG  11           2HG      ARG  11  11.215   6.839  12.148
   85    HG3  ARG  11           3HG      ARG  11  10.654   8.106  11.055
   86    HD2  ARG  11           2HD      ARG  11   8.689   6.001  11.377
   87    HD3  ARG  11           3HD      ARG  11   9.134   6.724  12.922
   88    HE   ARG  11           HE       ARG  11   7.549   7.909  10.890
   89   HH11  ARG  11          1HH1      ARG  11   9.950   8.647  13.301
   90   HH12  ARG  11          2HH1      ARG  11   9.435  10.289  13.499
   91   HH21  ARG  11          1HH2      ARG  11   6.861  10.069  11.142
   92   HH22  ARG  11          2HH2      ARG  11   7.677  11.097  12.271
   93    H    LEU  12           H        LEU  12  12.221   4.056  10.717
   94    HA   LEU  12           HA       LEU  12  13.850   4.426  12.930
   95    HB2  LEU  12           2HB      LEU  12  13.564   1.875  11.354
   96    HB3  LEU  12           3HB      LEU  12  14.028   2.024  13.047
   97    HG   LEU  12           HG       LEU  12  11.317   2.638  11.874
   98   HD11  LEU  12          1HD1      LEU  12  12.351   0.393  13.591
   99   HD12  LEU  12          2HD1      LEU  12  11.635   0.284  11.983
  100   HD13  LEU  12          3HD1      LEU  12  10.637   0.742  13.363
  101   HD21  LEU  12          3HD2      LEU  12  12.583   3.448  14.354
  102   HD22  LEU  12          1HD2      LEU  12  11.112   2.514  14.629
  103   HD23  LEU  12          2HD2      LEU  12  11.058   3.972  13.638
  104    H    ARG  13           H        ARG  13  14.700   3.637   9.616
  105    HA   ARG  13           HA       ARG  13  17.351   2.852   9.988
  106    HB2  ARG  13           2HB      ARG  13  15.805   2.967   7.843
  107    HB3  ARG  13           3HB      ARG  13  16.624   4.506   7.611
  108    HG2  ARG  13           2HG      ARG  13  17.989   1.838   7.909
  109    HG3  ARG  13           3HG      ARG  13  17.697   2.678   6.384
  110    HD2  ARG  13           2HD      ARG  13  19.423   3.600   8.676
  111    HD3  ARG  13           3HD      ARG  13  19.960   3.090   7.076
  112    HE   ARG  13           HE       ARG  13  18.275   5.186   6.601
  113   HH11  ARG  13          1HH1      ARG  13  21.150   4.711   8.506
  114   HH12  ARG  13          2HH1      ARG  13  21.683   6.352   8.349
  115   HH21  ARG  13          1HH2      ARG  13  18.966   7.350   6.388
  116   HH22  ARG  13          2HH2      ARG  13  20.439   7.852   7.145
  117    H    ALA  14           H        ALA  14  16.096   6.094   9.190
  118    HA   ALA  14           HA       ALA  14  18.509   7.468   9.254
  119    HB1  ALA  14           1HB      ALA  14  16.304   9.024  10.337
  120    HB2  ALA  14           2HB      ALA  14  17.234   9.254   8.856
  121    HB3  ALA  14           3HB      ALA  14  15.866   8.141   8.875
  122    H    VAL  15           H        VAL  15  16.208   6.872  11.897
  123    HA   VAL  15           HA       VAL  15  17.548   8.302  13.893
  124    HB   VAL  15           HB       VAL  15  15.875   5.808  14.233
  125   HG11  VAL  15          1HG1      VAL  15  16.926   7.857  16.142
  126   HG12  VAL  15          2HG1      VAL  15  15.414   7.013  16.481
  127   HG13  VAL  15          3HG1      VAL  15  16.910   6.100  16.285
  128   HG21  VAL  15          3HG2      VAL  15  14.336   7.976  14.942
  129   HG22  VAL  15          1HG2      VAL  15  15.203   8.549  13.517
  130   HG23  VAL  15          2HG2      VAL  15  14.226   7.084  13.425
  131    H    GLY  16           H        GLY  16  18.018   5.038  12.673
  132    HA2  GLY  16           2HA      GLY  16  19.649   4.019  14.704
  133    HA3  GLY  16           3HA      GLY  16  19.691   3.507  13.024
  134    H    ALA  17           H        ALA  17  20.326   6.413  12.322
  135    HA   ALA  17           HA       ALA  17  23.166   6.084  12.288
  136    HB1  ALA  17           1HB      ALA  17  23.233   7.925  10.881
  137    HB2  ALA  17           2HB      ALA  17  21.643   7.238  10.547
  138    HB3  ALA  17           3HB      ALA  17  21.792   8.651  11.593
  139    H    ILE  18           H        ILE  18  20.898   7.798  14.292
  140    HA   ILE  18           HA       ILE  18  21.136   9.153  16.111
  141    HB   ILE  18           HB       ILE  18  23.702   7.590  16.421
  142   HG12  ILE  18          2HG1      ILE  18  21.495   6.892  18.176
  143   HG13  ILE  18          3HG1      ILE  18  21.057   6.700  16.482
  144   HG21  ILE  18          1HG2      ILE  18  23.216   8.148  18.894
  145   HG22  ILE  18          2HG2      ILE  18  23.944   9.386  17.872
  146   HG23  ILE  18          3HG2      ILE  18  22.221   9.449  18.240
  147   HD11  ILE  18          3HD1      ILE  18  22.510   4.937  18.096
  148   HD12  ILE  18          1HD1      ILE  18  22.188   4.808  16.367
  149   HD13  ILE  18          2HD1      ILE  18  23.657   5.602  16.934
  Start of MODEL   13
    1    H1   ASP   1           H        ASP   1   1.616  -0.194   0.728
    2    HA   ASP   1           HA       ASP   1   1.484  -0.695  -1.918
    3    HB2  ASP   1           2HB      ASP   1   1.385   2.224  -1.419
    4    HB3  ASP   1           3HB      ASP   1   2.485   1.691  -2.687
    5    HA   PRO   2           HA       PRO   2   5.779  -1.377  -1.360
    6    HB2  PRO   2           2HB      PRO   2   6.752  -1.105  -3.880
    7    HB3  PRO   2           3HB      PRO   2   5.770  -2.485  -3.373
    8    HG2  PRO   2           2HG      PRO   2   4.951  -0.026  -4.871
    9    HG3  PRO   2           3HG      PRO   2   4.496  -1.715  -5.160
   10    HD2  PRO   2           2HD      PRO   2   2.871   0.033  -3.880
   11    HD3  PRO   2           3HD      PRO   2   2.899  -1.701  -3.498
   12    H    ARG   3           H        ARG   3   4.766   1.610  -2.836
   13    HA   ARG   3           HA       ARG   3   7.392   2.827  -2.542
   14    HB2  ARG   3           2HB      ARG   3   4.778   4.016  -3.489
   15    HB3  ARG   3           3HB      ARG   3   6.345   4.812  -3.545
   16    HG2  ARG   3           2HG      ARG   3   6.174   2.184  -4.871
   17    HG3  ARG   3           3HG      ARG   3   5.273   3.504  -5.618
   18    HD2  ARG   3           2HD      ARG   3   7.645   3.176  -6.428
   19    HD3  ARG   3           3HD      ARG   3   7.223   4.805  -5.900
   20    HE   ARG   3           HE       ARG   3   8.697   4.595  -4.145
   21   HH11  ARG   3          1HH1      ARG   3   8.228   1.502  -5.673
   22   HH12  ARG   3          2HH1      ARG   3   9.528   0.737  -4.820
   23   HH21  ARG   3          1HH2      ARG   3  10.411   3.600  -3.016
   24   HH22  ARG   3          2HH2      ARG   3  10.769   1.931  -3.309
   25    H    ILE   4           H        ILE   4   4.850   2.188  -0.543
   26    HA   ILE   4           HA       ILE   4   5.119   4.663   1.005
   27    HB   ILE   4           HB       ILE   4   3.154   2.386   1.261
   28   HG12  ILE   4          2HG1      ILE   4   2.757   5.273   0.445
   29   HG13  ILE   4          3HG1      ILE   4   2.814   3.909  -0.666
   30   HG21  ILE   4          1HG2      ILE   4   3.568   3.211   3.459
   31   HG22  ILE   4          2HG2      ILE   4   3.482   4.884   2.909
   32   HG23  ILE   4          3HG2      ILE   4   2.029   3.884   2.921
   33   HD11  ILE   4          3HD1      ILE   4   0.888   3.179   1.169
   34   HD12  ILE   4          1HD1      ILE   4   0.625   4.908   0.938
   35   HD13  ILE   4          2HD1      ILE   4   0.610   3.819  -0.450
   36    H    ALA   5           H        ALA   5   5.933   1.297   1.037
   37    HA   ALA   5           HA       ALA   5   6.577   1.235   3.854
   38    HB1  ALA   5           1HB      ALA   5   7.738  -0.957   2.459
   39    HB2  ALA   5           2HB      ALA   5   6.362  -0.952   3.562
   40    HB3  ALA   5           3HB      ALA   5   6.109  -0.691   1.836
   41    H    ALA   6           H        ALA   6   8.237   1.726   0.821
   42    HA   ALA   6           HA       ALA   6  10.874   1.273   1.601
   43    HB1  ALA   6           1HB      ALA   6  10.804   3.494  -0.181
   44    HB2  ALA   6           2HB      ALA   6  11.220   1.814  -0.521
   45    HB3  ALA   6           3HB      ALA   6   9.545   2.351  -0.649
   46    H    ARG   7           H        ARG   7   8.720   3.861   2.385
   47    HA   ARG   7           HA       ARG   7  10.895   5.540   3.378
   48    HB2  ARG   7           2HB      ARG   7   8.323   6.057   2.303
   49    HB3  ARG   7           3HB      ARG   7   8.304   6.606   3.973
   50    HG2  ARG   7           2HG      ARG   7  10.495   7.805   3.402
   51    HG3  ARG   7           3HG      ARG   7  10.049   7.520   1.719
   52    HD2  ARG   7           2HD      ARG   7   7.920   8.635   3.415
   53    HD3  ARG   7           3HD      ARG   7   9.306   9.693   3.156
   54    HE   ARG   7           HE       ARG   7   8.292   8.512   0.742
   55   HH11  ARG   7          1HH1      ARG   7   7.972  11.152   2.989
   56   HH12  ARG   7          2HH1      ARG   7   7.243  12.218   1.834
   57   HH21  ARG   7          1HH2      ARG   7   7.333   9.906  -0.788
   58   HH22  ARG   7          2HH2      ARG   7   6.880  11.508  -0.314
   59    H    GLY   8           H        GLY   8   8.446   3.361   4.484
   60    HA2  GLY   8           2HA      GLY   8   8.284   4.262   7.175
   61    HA3  GLY   8           3HA      GLY   8   7.803   2.678   6.584
   62    H    ARG   9           H        ARG   9  10.478   2.118   5.492
   63    HA   ARG   9           HA       ARG   9  11.616   1.021   7.889
   64    HB2  ARG   9           2HB      ARG   9  11.586  -0.193   5.717
   65    HB3  ARG   9           3HB      ARG   9  12.716   0.992   5.074
   66    HG2  ARG   9           2HG      ARG   9  14.447   0.267   6.490
   67    HG3  ARG   9           3HG      ARG   9  13.334  -0.652   7.506
   68    HD2  ARG   9           2HD      ARG   9  13.631  -1.317   4.605
   69    HD3  ARG   9           3HD      ARG   9  14.820  -1.893   5.773
   70    HE   ARG   9           HE       ARG   9  12.156  -2.868   5.402
   71   HH11  ARG   9          1HH1      ARG   9  14.713  -2.442   7.726
   72   HH12  ARG   9          2HH1      ARG   9  14.186  -3.745   8.740
   73   HH21  ARG   9          1HH2      ARG   9  11.452  -4.585   6.728
   74   HH22  ARG   9          2HH2      ARG   9  12.332  -4.964   8.171
   75    H    ALA  10           H        ALA  10  12.319   3.683   5.729
   76    HA   ALA  10           HA       ALA  10  14.945   4.252   6.444
   77    HB1  ALA  10           1HB      ALA  10  14.671   5.993   5.084
   78    HB2  ALA  10           2HB      ALA  10  13.012   5.438   4.858
   79    HB3  ALA  10           3HB      ALA  10  13.374   6.660   6.077
   80    H    ARG  11           H        ARG  11  11.925   5.071   8.064
   81    HA   ARG  11           HA       ARG  11  12.791   6.947   9.891
   82    HB2  ARG  11           2HB      ARG  11  10.432   6.112   9.545
   83    HB3  ARG  11           3HB      ARG  11  10.855   4.724  10.538
   84    HG2  ARG  11           2HG      ARG  11  11.348   6.213  12.412
   85    HG3  ARG  11           3HG      ARG  11  10.917   7.604  11.414
   86    HD2  ARG  11           2HD      ARG  11   8.756   5.855  11.196
   87    HD3  ARG  11           3HD      ARG  11   9.218   5.800  12.897
   88    HE   ARG  11           HE       ARG  11   9.148   8.474  12.156
   89   HH11  ARG  11          1HH1      ARG  11   6.939   5.796  12.419
   90   HH12  ARG  11          2HH1      ARG  11   5.565   6.794  12.764
   91   HH21  ARG  11          1HH2      ARG  11   7.347   9.799  12.609
   92   HH22  ARG  11          2HH2      ARG  11   5.799   9.071  12.871
   93    H    LEU  12           H        LEU  12  12.326   3.530  10.785
   94    HA   LEU  12           HA       LEU  12  13.812   3.608  13.124
   95    HB2  LEU  12           2HB      LEU  12  13.548   1.231  11.292
   96    HB3  LEU  12           3HB      LEU  12  13.871   1.205  13.025
   97    HG   LEU  12           HG       LEU  12  11.300   2.166  11.774
   98   HD11  LEU  12          1HD1      LEU  12  10.411   0.035  12.813
   99   HD12  LEU  12          2HD1      LEU  12  12.090  -0.489  12.939
  100   HD13  LEU  12          3HD1      LEU  12  11.389  -0.150  11.357
  101   HD21  LEU  12          3HD2      LEU  12  12.248   2.883  14.168
  102   HD22  LEU  12          1HD2      LEU  12  11.504   1.345  14.608
  103   HD23  LEU  12          2HD2      LEU  12  10.532   2.612  13.858
  104    H    ARG  13           H        ARG  13  14.859   3.120   9.810
  105    HA   ARG  13           HA       ARG  13  17.441   2.167  10.267
  106    HB2  ARG  13           2HB      ARG  13  16.056   2.585   8.051
  107    HB3  ARG  13           3HB      ARG  13  16.955   4.096   8.041
  108    HG2  ARG  13           2HG      ARG  13  18.179   1.346   8.137
  109    HG3  ARG  13           3HG      ARG  13  18.031   2.355   6.696
  110    HD2  ARG  13           2HD      ARG  13  19.622   2.957   9.185
  111    HD3  ARG  13           3HD      ARG  13  20.258   2.567   7.587
  112    HE   ARG  13           HE       ARG  13  18.638   4.817   7.327
  113   HH11  ARG  13          1HH1      ARG  13  21.614   3.896   8.880
  114   HH12  ARG  13          2HH1      ARG  13  22.300   5.485   8.800
  115   HH21  ARG  13          1HH2      ARG  13  19.530   6.914   7.215
  116   HH22  ARG  13          2HH2      ARG  13  21.113   7.201   7.854
  117    H    ALA  14           H        ALA  14  16.436   5.538   9.659
  118    HA   ALA  14           HA       ALA  14  18.901   6.742  10.094
  119    HB1  ALA  14           1HB      ALA  14  16.795   7.793   9.164
  120    HB2  ALA  14           2HB      ALA  14  16.278   8.011  10.836
  121    HB3  ALA  14           3HB      ALA  14  17.749   8.795  10.259
  122    H    VAL  15           H        VAL  15  16.269   6.165  12.419
  123    HA   VAL  15           HA       VAL  15  17.426   7.333  14.657
  124    HB   VAL  15           HB       VAL  15  15.712   4.846  14.674
  125   HG11  VAL  15          1HG1      VAL  15  14.967   5.769  16.869
  126   HG12  VAL  15          2HG1      VAL  15  16.661   5.273  16.832
  127   HG13  VAL  15          3HG1      VAL  15  16.239   6.983  16.734
  128   HG21  VAL  15          3HG2      VAL  15  14.148   7.111  15.205
  129   HG22  VAL  15          1HG2      VAL  15  15.110   7.509  13.782
  130   HG23  VAL  15          2HG2      VAL  15  14.087   6.073  13.781
  131    H    GLY  16           H        GLY  16  17.921   4.135  13.263
  132    HA2  GLY  16           2HA      GLY  16  19.315   2.936  15.370
  133    HA3  GLY  16           3HA      GLY  16  19.505   2.527  13.671
  134    H    ALA  17           H        ALA  17  20.388   5.237  12.959
  135    HA   ALA  17           HA       ALA  17  23.161   4.954  13.858
  136    HB1  ALA  17           1HB      ALA  17  23.452   6.723  11.946
  137    HB2  ALA  17           2HB      ALA  17  23.220   5.016  11.565
  138    HB3  ALA  17           3HB      ALA  17  21.864   6.138  11.451
  139    H    ILE  18           H        ILE  18  21.160   7.761  12.944
  140    HA   ILE  18           HA       ILE  18  22.543   9.401  14.889
  141    HB   ILE  18           HB       ILE  18  20.271  10.135  13.039
  142   HG12  ILE  18          2HG1      ILE  18  23.219  10.705  12.704
  143   HG13  ILE  18          3HG1      ILE  18  22.400   9.353  11.930
  144   HG21  ILE  18          1HG2      ILE  18  21.907  12.344  13.707
  145   HG22  ILE  18          2HG2      ILE  18  20.212  12.075  14.111
  146   HG23  ILE  18          3HG2      ILE  18  21.478  11.525  15.209
  147   HD11  ILE  18          3HD1      ILE  18  21.541  12.204  11.555
  148   HD12  ILE  18          1HD1      ILE  18  22.731  11.410  10.523
  149   HD13  ILE  18          2HD1      ILE  18  21.081  10.790  10.607
  Start of MODEL   14
    1    H1   ASP   1           H        ASP   1   0.113  -0.580   0.147
    2    HA   ASP   1           HA       ASP   1   1.389  -1.276  -1.624
    3    HB2  ASP   1           2HB      ASP   1   1.287   1.672  -1.629
    4    HB3  ASP   1           3HB      ASP   1   2.537   0.969  -2.651
    5    HA   PRO   2           HA       PRO   2   5.609  -1.943  -0.637
    6    HB2  PRO   2           2HB      PRO   2   6.767  -2.115  -3.087
    7    HB3  PRO   2           3HB      PRO   2   5.707  -3.370  -2.435
    8    HG2  PRO   2           2HG      PRO   2   5.077  -1.180  -4.376
    9    HG3  PRO   2           3HG      PRO   2   4.589  -2.884  -4.415
   10    HD2  PRO   2           2HD      PRO   2   2.935  -0.915  -3.569
   11    HD3  PRO   2           3HD      PRO   2   2.879  -2.560  -2.905
   12    H    ARG   3           H        ARG   3   4.742   0.820  -2.527
   13    HA   ARG   3           HA       ARG   3   7.396   1.998  -2.364
   14    HB2  ARG   3           2HB      ARG   3   4.892   3.341  -3.369
   15    HB3  ARG   3           3HB      ARG   3   6.563   3.739  -3.747
   16    HG2  ARG   3           2HG      ARG   3   6.620   1.338  -4.752
   17    HG3  ARG   3           3HG      ARG   3   4.865   1.519  -4.782
   18    HD2  ARG   3           2HD      ARG   3   5.436   2.323  -6.860
   19    HD3  ARG   3           3HD      ARG   3   5.408   3.808  -5.910
   20    HE   ARG   3           HE       ARG   3   8.001   2.813  -5.814
   21   HH11  ARG   3          1HH1      ARG   3   5.773   4.045  -8.188
   22   HH12  ARG   3          2HH1      ARG   3   7.016   4.670  -9.221
   23   HH21  ARG   3          1HH2      ARG   3   9.647   3.631  -7.165
   24   HH22  ARG   3          2HH2      ARG   3   9.219   4.432  -8.639
   25    H    ILE   4           H        ILE   4   4.833   1.675  -0.317
   26    HA   ILE   4           HA       ILE   4   5.161   4.316   0.915
   27    HB   ILE   4           HB       ILE   4   3.137   2.138   1.438
   28   HG12  ILE   4          2HG1      ILE   4   2.806   3.391  -0.658
   29   HG13  ILE   4          3HG1      ILE   4   1.534   3.736   0.509
   30   HG21  ILE   4          1HG2      ILE   4   2.056   4.013   2.823
   31   HG22  ILE   4          2HG2      ILE   4   3.414   3.135   3.526
   32   HG23  ILE   4          3HG2      ILE   4   3.664   4.738   2.833
   33   HD11  ILE   4          3HD1      ILE   4   2.173   5.769  -0.562
   34   HD12  ILE   4          1HD1      ILE   4   2.733   5.820   1.110
   35   HD13  ILE   4          2HD1      ILE   4   3.874   5.486  -0.193
   36    H    ALA   5           H        ALA   5   5.887   0.959   1.367
   37    HA   ALA   5           HA       ALA   5   6.521   1.230   4.175
   38    HB1  ALA   5           1HB      ALA   5   7.585  -1.146   3.538
   39    HB2  ALA   5           2HB      ALA   5   5.870  -0.915   3.880
   40    HB3  ALA   5           3HB      ALA   5   6.435  -0.974   2.211
   41    H    ALA   6           H        ALA   6   8.203   1.298   1.113
   42    HA   ALA   6           HA       ALA   6  10.824   0.880   1.963
   43    HB1  ALA   6           1HB      ALA   6  11.190   1.135  -0.208
   44    HB2  ALA   6           2HB      ALA   6   9.531   1.700  -0.414
   45    HB3  ALA   6           3HB      ALA   6  10.822   2.856  -0.087
   46    H    ARG   7           H        ARG   7   8.734   3.600   2.397
   47    HA   ARG   7           HA       ARG   7  10.948   5.337   3.184
   48    HB2  ARG   7           2HB      ARG   7   8.425   5.788   2.006
   49    HB3  ARG   7           3HB      ARG   7   8.353   6.503   3.611
   50    HG2  ARG   7           2HG      ARG   7  10.673   7.518   2.909
   51    HG3  ARG   7           3HG      ARG   7  10.050   7.231   1.283
   52    HD2  ARG   7           2HD      ARG   7   8.106   8.472   3.071
   53    HD3  ARG   7           3HD      ARG   7   9.555   9.447   2.829
   54    HE   ARG   7           HE       ARG   7   8.427   8.424   0.391
   55   HH11  ARG   7          1HH1      ARG   7   8.339  11.001   2.731
   56   HH12  ARG   7          2HH1      ARG   7   7.674  12.157   1.625
   57   HH21  ARG   7          1HH2      ARG   7   7.551   9.938  -1.073
   58   HH22  ARG   7          2HH2      ARG   7   7.225  11.551  -0.538
   59    H    GLY   8           H        GLY   8   8.442   3.376   4.542
   60    HA2  GLY   8           2HA      GLY   8   8.292   4.615   7.095
   61    HA3  GLY   8           3HA      GLY   8   7.774   2.982   6.706
   62    H    ARG   9           H        ARG   9  10.439   2.224   5.712
   63    HA   ARG   9           HA       ARG   9  11.533   1.381   8.222
   64    HB2  ARG   9           2HB      ARG   9  11.521  -0.012   6.137
   65    HB3  ARG   9           3HB      ARG   9  12.733   1.072   5.467
   66    HG2  ARG   9           2HG      ARG   9  14.372   0.362   6.954
   67    HG3  ARG   9           3HG      ARG   9  13.192  -0.316   8.078
   68    HD2  ARG   9           2HD      ARG   9  13.823  -1.383   5.328
   69    HD3  ARG   9           3HD      ARG   9  14.397  -2.063   6.850
   70    HE   ARG   9           HE       ARG   9  11.680  -2.027   7.100
   71   HH11  ARG   9          1HH1      ARG   9  13.922  -3.363   4.796
   72   HH12  ARG   9          2HH1      ARG   9  12.900  -4.698   4.379
   73   HH21  ARG   9          1HH2      ARG   9  10.325  -3.781   6.559
   74   HH22  ARG   9          2HH2      ARG   9  10.854  -4.934   5.382
   75    H    ALA  10           H        ALA  10  12.220   3.889   5.912
   76    HA   ALA  10           HA       ALA  10  14.864   4.491   6.523
   77    HB1  ALA  10           1HB      ALA  10  13.751   5.520   4.653
   78    HB2  ALA  10           2HB      ALA  10  12.625   6.347   5.730
   79    HB3  ALA  10           3HB      ALA  10  14.335   6.780   5.741
   80    H    ARG  11           H        ARG  11  11.900   5.320   8.220
   81    HA   ARG  11           HA       ARG  11  12.776   7.309   9.918
   82    HB2  ARG  11           2HB      ARG  11  10.435   6.381   9.715
   83    HB3  ARG  11           3HB      ARG  11  10.948   5.056  10.753
   84    HG2  ARG  11           2HG      ARG  11  11.467   6.649  12.532
   85    HG3  ARG  11           3HG      ARG  11  10.947   7.976  11.490
   86    HD2  ARG  11           2HD      ARG  11   9.162   5.670  12.234
   87    HD3  ARG  11           3HD      ARG  11   9.255   7.155  13.179
   88    HE   ARG  11           HE       ARG  11   8.742   7.704  10.438
   89   HH11  ARG  11          1HH1      ARG  11   7.238   6.599  13.377
   90   HH12  ARG  11          2HH1      ARG  11   5.656   7.143  12.927
   91   HH21  ARG  11          1HH2      ARG  11   6.664   8.425   9.833
   92   HH22  ARG  11          2HH2      ARG  11   5.331   8.181  10.910
   93    H    LEU  12           H        LEU  12  12.468   3.924  10.989
   94    HA   LEU  12           HA       LEU  12  14.084   4.188  13.242
   95    HB2  LEU  12           2HB      LEU  12  13.669   1.700  11.593
   96    HB3  LEU  12           3HB      LEU  12  14.186   1.767  13.276
   97    HG   LEU  12           HG       LEU  12  11.497   2.735  12.321
   98   HD11  LEU  12          1HD1      LEU  12  11.440   0.444  11.847
   99   HD12  LEU  12          2HD1      LEU  12  10.717   0.584  13.449
  100   HD13  LEU  12          3HD1      LEU  12  12.384   0.033  13.279
  101   HD21  LEU  12          3HD2      LEU  12  11.638   3.691  14.360
  102   HD22  LEU  12          1HD2      LEU  12  12.900   2.588  14.910
  103   HD23  LEU  12          2HD2      LEU  12  11.214   2.071  14.914
  104    H    ARG  13           H        ARG  13  14.918   3.631   9.904
  105    HA   ARG  13           HA       ARG  13  17.503   2.622  10.188
  106    HB2  ARG  13           2HB      ARG  13  15.989   3.087   8.068
  107    HB3  ARG  13           3HB      ARG  13  16.917   4.579   8.011
  108    HG2  ARG  13           2HG      ARG  13  18.087   1.805   8.009
  109    HG3  ARG  13           3HG      ARG  13  17.869   2.828   6.588
  110    HD2  ARG  13           2HD      ARG  13  19.634   3.364   8.971
  111    HD3  ARG  13           3HD      ARG  13  20.149   2.997   7.325
  112    HE   ARG  13           HE       ARG  13  18.562   5.276   7.208
  113   HH11  ARG  13          1HH1      ARG  13  21.599   4.285   8.591
  114   HH12  ARG  13          2HH1      ARG  13  22.301   5.867   8.509
  115   HH21  ARG  13          1HH2      ARG  13  19.475   7.363   7.095
  116   HH22  ARG  13          2HH2      ARG  13  21.091   7.617   7.659
  117    H    ALA  14           H        ALA  14  16.505   6.016   9.722
  118    HA   ALA  14           HA       ALA  14  19.012   7.186   9.967
  119    HB1  ALA  14           1HB      ALA  14  17.563   9.170  10.905
  120    HB2  ALA  14           2HB      ALA  14  17.440   8.670   9.218
  121    HB3  ALA  14           3HB      ALA  14  16.226   8.145  10.384
  122    H    VAL  15           H        VAL  15  16.609   6.498  12.494
  123    HA   VAL  15           HA       VAL  15  18.059   7.600  14.639
  124    HB   VAL  15           HB       VAL  15  16.072   5.326  14.740
  125   HG11  VAL  15          1HG1      VAL  15  15.695   6.466  17.057
  126   HG12  VAL  15          2HG1      VAL  15  17.027   5.329  16.838
  127   HG13  VAL  15          3HG1      VAL  15  17.334   7.066  16.811
  128   HG21  VAL  15          3HG2      VAL  15  14.831   6.997  13.761
  129   HG22  VAL  15          1HG2      VAL  15  14.582   7.354  15.470
  130   HG23  VAL  15          2HG2      VAL  15  15.752   8.285  14.536
  131    H    GLY  16           H        GLY  16  18.315   4.566  12.967
  132    HA2  GLY  16           2HA      GLY  16  19.701   3.125  14.988
  133    HA3  GLY  16           3HA      GLY  16  19.671   2.734  13.275
  134    H    ALA  17           H        ALA  17  20.683   5.578  12.781
  135    HA   ALA  17           HA       ALA  17  23.501   4.872  12.972
  136    HB1  ALA  17           1HB      ALA  17  23.181   7.396  11.742
  137    HB2  ALA  17           2HB      ALA  17  23.589   5.855  10.987
  138    HB3  ALA  17           3HB      ALA  17  21.901   6.346  11.133
  139    H    ILE  18           H        ILE  18  21.221   7.167  14.289
  140    HA   ILE  18           HA       ILE  18  23.254   8.827  15.487
  141    HB   ILE  18           HB       ILE  18  20.298   8.808  16.093
  142   HG12  ILE  18          2HG1      ILE  18  20.661   9.120  13.688
  143   HG13  ILE  18          3HG1      ILE  18  20.105  10.613  14.436
  144   HG21  ILE  18          1HG2      ILE  18  21.222  10.098  17.747
  145   HG22  ILE  18          2HG2      ILE  18  22.572  10.617  16.739
  146   HG23  ILE  18          3HG2      ILE  18  20.970  11.314  16.495
  147   HD11  ILE  18          3HD1      ILE  18  21.866  11.687  13.655
  148   HD12  ILE  18          1HD1      ILE  18  22.953  10.562  14.470
  149   HD13  ILE  18          2HD1      ILE  18  22.379  10.210  12.839
  Start of MODEL   15
    1    H1   ASP   1           H        ASP   1   0.697   0.243   0.788
    2    HA   ASP   1           HA       ASP   1   1.501  -1.169  -1.422
    3    HB2  ASP   1           2HB      ASP   1   1.376   1.712  -0.730
    4    HB3  ASP   1           3HB      ASP   1   2.347   1.288  -2.137
    5    HA   PRO   2           HA       PRO   2   5.848  -1.731  -1.321
    6    HB2  PRO   2           2HB      PRO   2   6.562  -1.271  -3.900
    7    HB3  PRO   2           3HB      PRO   2   5.676  -2.713  -3.391
    8    HG2  PRO   2           2HG      PRO   2   4.642  -0.199  -4.644
    9    HG3  PRO   2           3HG      PRO   2   4.211  -1.883  -4.995
   10    HD2  PRO   2           2HD      PRO   2   2.668  -0.275  -3.457
   11    HD3  PRO   2           3HD      PRO   2   2.784  -2.026  -3.191
   12    H    ARG   3           H        ARG   3   4.685   1.277  -2.722
   13    HA   ARG   3           HA       ARG   3   7.280   2.556  -2.408
   14    HB2  ARG   3           2HB      ARG   3   4.644   3.673  -3.383
   15    HB3  ARG   3           3HB      ARG   3   6.184   4.521  -3.411
   16    HG2  ARG   3           2HG      ARG   3   5.633   1.954  -4.883
   17    HG3  ARG   3           3HG      ARG   3   5.519   3.565  -5.596
   18    HD2  ARG   3           2HD      ARG   3   7.962   2.181  -4.514
   19    HD3  ARG   3           3HD      ARG   3   7.655   2.702  -6.171
   20    HE   ARG   3           HE       ARG   3   8.573   4.334  -3.972
   21   HH11  ARG   3          1HH1      ARG   3   7.113   4.276  -7.131
   22   HH12  ARG   3          2HH1      ARG   3   7.572   5.902  -7.516
   23   HH21  ARG   3          1HH2      ARG   3   9.184   6.475  -4.466
   24   HH22  ARG   3          2HH2      ARG   3   8.751   7.151  -6.000
   25    H    ILE   4           H        ILE   4   4.737   1.855  -0.432
   26    HA   ILE   4           HA       ILE   4   4.931   4.336   1.119
   27    HB   ILE   4           HB       ILE   4   3.026   2.006   1.363
   28   HG12  ILE   4          2HG1      ILE   4   2.629   3.491  -0.566
   29   HG13  ILE   4          3HG1      ILE   4   1.339   3.613   0.626
   30   HG21  ILE   4          1HG2      ILE   4   1.847   3.547   2.990
   31   HG22  ILE   4          2HG2      ILE   4   3.337   2.800   3.562
   32   HG23  ILE   4          3HG2      ILE   4   3.340   4.483   3.036
   33   HD11  ILE   4          3HD1      ILE   4   2.890   5.678  -0.487
   34   HD12  ILE   4          1HD1      ILE   4   1.639   5.795   0.750
   35   HD13  ILE   4          2HD1      ILE   4   3.324   5.564   1.218
   36    H    ALA   5           H        ALA   5   5.837   0.993   1.156
   37    HA   ALA   5           HA       ALA   5   6.462   0.949   3.979
   38    HB1  ALA   5           1HB      ALA   5   6.038  -0.989   1.976
   39    HB2  ALA   5           2HB      ALA   5   7.687  -1.208   2.565
   40    HB3  ALA   5           3HB      ALA   5   6.334  -1.246   3.695
   41    H    ALA   6           H        ALA   6   8.132   1.475   0.954
   42    HA   ALA   6           HA       ALA   6  10.773   1.097   1.755
   43    HB1  ALA   6           1HB      ALA   6  11.118   1.638  -0.366
   44    HB2  ALA   6           2HB      ALA   6   9.432   2.137  -0.507
   45    HB3  ALA   6           3HB      ALA   6  10.661   3.309  -0.033
   46    H    ARG   7           H        ARG   7   8.544   3.626   2.519
   47    HA   ARG   7           HA       ARG   7  10.665   5.368   3.520
   48    HB2  ARG   7           2HB      ARG   7   8.053   5.793   2.463
   49    HB3  ARG   7           3HB      ARG   7   8.074   6.393   4.116
   50    HG2  ARG   7           2HG      ARG   7  10.232   7.604   3.436
   51    HG3  ARG   7           3HG      ARG   7   9.726   7.268   1.779
   52    HD2  ARG   7           2HD      ARG   7   7.619   8.378   3.485
   53    HD3  ARG   7           3HD      ARG   7   8.993   9.455   3.238
   54    HE   ARG   7           HE       ARG   7   7.027   8.685   1.295
   55   HH11  ARG   7          1HH1      ARG   7  10.297   9.786   1.761
   56   HH12  ARG   7          2HH1      ARG   7  10.423  10.490   0.183
   57   HH21  ARG   7          1HH2      ARG   7   7.181   9.608  -0.785
   58   HH22  ARG   7          2HH2      ARG   7   8.650  10.388  -1.265
   59    H    GLY   8           H        GLY   8   8.277   3.121   4.619
   60    HA2  GLY   8           2HA      GLY   8   8.072   4.021   7.306
   61    HA3  GLY   8           3HA      GLY   8   7.645   2.422   6.717
   62    H    ARG   9           H        ARG   9  10.332   1.925   5.645
   63    HA   ARG   9           HA       ARG   9  11.512   0.946   8.089
   64    HB2  ARG   9           2HB      ARG   9  11.423  -0.398   5.987
   65    HB3  ARG   9           3HB      ARG   9  12.556   0.734   5.261
   66    HG2  ARG   9           2HG      ARG   9  14.269  -0.359   6.133
   67    HG3  ARG   9           3HG      ARG   9  13.601  -0.187   7.757
   68    HD2  ARG   9           2HD      ARG   9  12.016  -2.138   6.847
   69    HD3  ARG   9           3HD      ARG   9  13.443  -2.455   5.861
   70    HE   ARG   9           HE       ARG   9  14.050  -2.122   8.642
   71   HH11  ARG   9          1HH1      ARG   9  12.983  -4.380   6.216
   72   HH12  ARG   9          2HH1      ARG   9  13.536  -5.774   7.085
   73   HH21  ARG   9          1HH2      ARG   9  14.782  -3.949   9.794
   74   HH22  ARG   9          2HH2      ARG   9  14.558  -5.528   9.120
   75    H    ALA  10           H        ALA  10  12.296   3.327   5.603
   76    HA   ALA  10           HA       ALA  10  14.887   3.975   6.311
   77    HB1  ALA  10           1HB      ALA  10  14.640   5.903   5.057
   78    HB2  ALA  10           2HB      ALA  10  13.384   4.859   4.392
   79    HB3  ALA  10           3HB      ALA  10  12.959   6.127   5.541
   80    H    ARG  11           H        ARG  11  11.872   4.888   7.851
   81    HA   ARG  11           HA       ARG  11  12.666   7.002   9.434
   82    HB2  ARG  11           2HB      ARG  11  10.347   6.020   9.230
   83    HB3  ARG  11           3HB      ARG  11  10.851   4.778  10.368
   84    HG2  ARG  11           2HG      ARG  11  11.292   6.496  12.049
   85    HG3  ARG  11           3HG      ARG  11  10.783   7.740  10.906
   86    HD2  ARG  11           2HD      ARG  11   8.989   5.459  11.678
   87    HD3  ARG  11           3HD      ARG  11   9.073   6.939  12.632
   88    HE   ARG  11           HE       ARG  11   8.631   7.758  10.047
   89   HH11  ARG  11          1HH1      ARG  11   7.010   5.706  12.346
   90   HH12  ARG  11          2HH1      ARG  11   5.427   6.039  11.724
   91   HH21  ARG  11          1HH2      ARG  11   6.553   8.204   9.219
   92   HH22  ARG  11          2HH2      ARG  11   5.169   7.459   9.945
   93    H    LEU  12           H        LEU  12  12.382   3.692  10.723
   94    HA   LEU  12           HA       LEU  12  13.911   4.124  13.003
   95    HB2  LEU  12           2HB      LEU  12  13.635   1.538  11.481
   96    HB3  LEU  12           3HB      LEU  12  14.085   1.713  13.176
   97    HG   LEU  12           HG       LEU  12  11.405   2.524  12.059
   98   HD11  LEU  12          1HD1      LEU  12  10.654   0.433  13.308
   99   HD12  LEU  12          2HD1      LEU  12  12.345  -0.064  13.254
  100   HD13  LEU  12          3HD1      LEU  12  11.456   0.202  11.754
  101   HD21  LEU  12          3HD2      LEU  12  10.892   2.192  14.588
  102   HD22  LEU  12          1HD2      LEU  12  11.654   3.684  14.038
  103   HD23  LEU  12          2HD2      LEU  12  12.631   2.418  14.783
  104    H    ARG  13           H        ARG  13  14.891   3.379   9.737
  105    HA   ARG  13           HA       ARG  13  17.498   2.495  10.191
  106    HB2  ARG  13           2HB      ARG  13  16.051   2.739   7.988
  107    HB3  ARG  13           3HB      ARG  13  16.927   4.257   7.851
  108    HG2  ARG  13           2HG      ARG  13  18.194   1.537   8.104
  109    HG3  ARG  13           3HG      ARG  13  17.995   2.441   6.602
  110    HD2  ARG  13           2HD      ARG  13  19.638   3.238   9.000
  111    HD3  ARG  13           3HD      ARG  13  20.240   2.742   7.419
  112    HE   ARG  13           HE       ARG  13  18.572   4.955   7.062
  113   HH11  ARG  13          1HH1      ARG  13  21.632   4.159   8.519
  114   HH12  ARG  13          2HH1      ARG  13  22.301   5.741   8.289
  115   HH21  ARG  13          1HH2      ARG  13  19.441   7.041   6.754
  116   HH22  ARG  13          2HH2      ARG  13  21.053   7.379   7.286
  117    H    ALA  14           H        ALA  14  16.391   5.801   9.434
  118    HA   ALA  14           HA       ALA  14  18.855   7.073   9.700
  119    HB1  ALA  14           1HB      ALA  14  16.998   8.943  10.558
  120    HB2  ALA  14           2HB      ALA  14  17.528   8.669   8.898
  121    HB3  ALA  14           3HB      ALA  14  16.079   7.868   9.505
  122    H    VAL  15           H        VAL  15  16.399   6.327  12.130
  123    HA   VAL  15           HA       VAL  15  17.531   7.753  14.270
  124    HB   VAL  15           HB       VAL  15  15.885   5.221  14.377
  125   HG11  VAL  15          1HG1      VAL  15  15.291   6.566  16.639
  126   HG12  VAL  15          2HG1      VAL  15  16.521   5.304  16.539
  127   HG13  VAL  15          3HG1      VAL  15  16.989   7.003  16.446
  128   HG21  VAL  15          3HG2      VAL  15  14.723   6.968  13.172
  129   HG22  VAL  15          1HG2      VAL  15  13.993   6.761  14.764
  130   HG23  VAL  15          2HG2      VAL  15  15.068   8.125  14.458
  131    H    GLY  16           H        GLY  16  18.049   4.446  13.118
  132    HA2  GLY  16           2HA      GLY  16  19.695   3.596  15.250
  133    HA3  GLY  16           3HA      GLY  16  19.645   2.882  13.645
  134    H    ALA  17           H        ALA  17  20.352   5.526  12.434
  135    HA   ALA  17           HA       ALA  17  23.152   5.142  12.326
  136    HB1  ALA  17           1HB      ALA  17  21.194   6.734  10.973
  137    HB2  ALA  17           2HB      ALA  17  22.588   7.731  11.389
  138    HB3  ALA  17           3HB      ALA  17  22.808   6.260  10.441
  139    H    ILE  18           H        ILE  18  21.129   7.571  13.934
  140    HA   ILE  18           HA       ILE  18  23.493   8.727  15.205
  141    HB   ILE  18           HB       ILE  18  20.608   9.614  15.322
  142   HG12  ILE  18          2HG1      ILE  18  22.898  10.945  13.876
  143   HG13  ILE  18          3HG1      ILE  18  21.837   9.779  13.092
  144   HG21  ILE  18          1HG2      ILE  18  22.311  11.727  15.981
  145   HG22  ILE  18          2HG2      ILE  18  21.234  10.845  17.062
  146   HG23  ILE  18          3HG2      ILE  18  22.913  10.338  16.885
  147   HD11  ILE  18          3HD1      ILE  18  19.934  11.321  13.889
  148   HD12  ILE  18          1HD1      ILE  18  21.211  12.519  14.098
  149   HD13  ILE  18          2HD1      ILE  18  20.915  11.813  12.509
  Start of MODEL   16
    1    H1   ASP   1           H        ASP   1   1.069  -0.604   0.896
    2    HA   ASP   1           HA       ASP   1   1.124  -1.129  -1.660
    3    HB2  ASP   1           2HB      ASP   1   0.974   1.813  -1.410
    4    HB3  ASP   1           3HB      ASP   1   2.156   1.208  -2.568
    5    HA   PRO   2           HA       PRO   2   5.401  -1.748  -0.919
    6    HB2  PRO   2           2HB      PRO   2   6.448  -1.682  -3.423
    7    HB3  PRO   2           3HB      PRO   2   5.453  -3.018  -2.833
    8    HG2  PRO   2           2HG      PRO   2   4.677  -0.695  -4.553
    9    HG3  PRO   2           3HG      PRO   2   4.233  -2.404  -4.714
   10    HD2  PRO   2           2HD      PRO   2   2.569  -0.562  -3.634
   11    HD3  PRO   2           3HD      PRO   2   2.586  -2.257  -3.108
   12    H    ARG   3           H        ARG   3   4.380   1.131  -2.544
   13    HA   ARG   3           HA       ARG   3   7.007   2.372  -2.377
   14    HB2  ARG   3           2HB      ARG   3   4.362   3.489  -3.326
   15    HB3  ARG   3           3HB      ARG   3   5.915   4.306  -3.442
   16    HG2  ARG   3           2HG      ARG   3   6.085   1.700  -4.630
   17    HG3  ARG   3           3HG      ARG   3   4.731   2.602  -5.316
   18    HD2  ARG   3           2HD      ARG   3   6.793   2.981  -6.575
   19    HD3  ARG   3           3HD      ARG   3   6.212   4.466  -5.824
   20    HE   ARG   3           HE       ARG   3   7.975   3.498  -4.012
   21   HH11  ARG   3          1HH1      ARG   3   8.159   4.164  -7.424
   22   HH12  ARG   3          2HH1      ARG   3   9.850   4.540  -7.392
   23   HH21  ARG   3          1HH2      ARG   3  10.201   3.991  -3.957
   24   HH22  ARG   3          2HH2      ARG   3  11.011   4.440  -5.420
   25    H    ILE   4           H        ILE   4   4.517   1.822  -0.289
   26    HA   ILE   4           HA       ILE   4   4.805   4.373   1.127
   27    HB   ILE   4           HB       ILE   4   2.870   2.095   1.550
   28   HG12  ILE   4          2HG1      ILE   4   2.433   3.486  -0.438
   29   HG13  ILE   4          3HG1      ILE   4   1.187   3.696   0.787
   30   HG21  ILE   4          1HG2      ILE   4   3.237   2.976   3.696
   31   HG22  ILE   4          2HG2      ILE   4   3.311   4.632   3.094
   32   HG23  ILE   4          3HG2      ILE   4   1.772   3.772   3.121
   33   HD11  ILE   4          3HD1      ILE   4   3.231   5.633   1.208
   34   HD12  ILE   4          1HD1      ILE   4   2.734   5.670  -0.483
   35   HD13  ILE   4          2HD1      ILE   4   1.534   5.875   0.794
   36    H    ALA   5           H        ALA   5   5.654   1.020   1.306
   37    HA   ALA   5           HA       ALA   5   6.371   1.107   4.106
   38    HB1  ALA   5           1HB      ALA   5   7.187  -1.184   3.732
   39    HB2  ALA   5           2HB      ALA   5   5.526  -0.966   3.181
   40    HB3  ALA   5           3HB      ALA   5   6.844  -1.010   2.011
   41    H    ALA   6           H        ALA   6   7.947   1.456   1.008
   42    HA   ALA   6           HA       ALA   6  10.608   1.067   1.743
   43    HB1  ALA   6           1HB      ALA   6   9.209   2.015  -0.525
   44    HB2  ALA   6           2HB      ALA   6  10.475   3.187  -0.153
   45    HB3  ALA   6           3HB      ALA   6  10.891   1.493  -0.414
   46    H    ARG   7           H        ARG   7   8.447   3.674   2.443
   47    HA   ARG   7           HA       ARG   7  10.629   5.424   3.288
   48    HB2  ARG   7           2HB      ARG   7   7.988   5.842   2.294
   49    HB3  ARG   7           3HB      ARG   7   8.082   6.534   3.908
   50    HG2  ARG   7           2HG      ARG   7  10.216   7.680   3.106
   51    HG3  ARG   7           3HG      ARG   7   9.698   7.226   1.481
   52    HD2  ARG   7           2HD      ARG   7   7.489   8.377   2.872
   53    HD3  ARG   7           3HD      ARG   7   8.881   9.447   3.028
   54    HE   ARG   7           HE       ARG   7   7.396   8.867   0.632
   55   HH11  ARG   7          1HH1      ARG   7  10.424   9.981   1.941
   56   HH12  ARG   7          2HH1      ARG   7  10.868  10.856   0.513
   57   HH21  ARG   7          1HH2      ARG   7   7.970  10.016  -1.253
   58   HH22  ARG   7          2HH2      ARG   7   9.472  10.876  -1.302
   59    H    GLY   8           H        GLY   8   8.234   3.284   4.573
   60    HA2  GLY   8           2HA      GLY   8   8.131   4.325   7.215
   61    HA3  GLY   8           3HA      GLY   8   7.653   2.708   6.722
   62    H    ARG   9           H        ARG   9  10.310   2.124   5.590
   63    HA   ARG   9           HA       ARG   9  11.525   1.182   8.021
   64    HB2  ARG   9           2HB      ARG   9  11.428  -0.168   5.926
   65    HB3  ARG   9           3HB      ARG   9  12.544   0.970   5.184
   66    HG2  ARG   9           2HG      ARG   9  14.333   0.205   6.366
   67    HG3  ARG   9           3HG      ARG   9  13.350  -0.293   7.744
   68    HD2  ARG   9           2HD      ARG   9  12.426  -1.938   5.777
   69    HD3  ARG   9           3HD      ARG   9  14.127  -1.780   5.341
   70    HE   ARG   9           HE       ARG   9  13.678  -2.379   8.120
   71   HH11  ARG   9          1HH1      ARG   9  14.107  -3.698   4.928
   72   HH12  ARG   9          2HH1      ARG   9  14.662  -5.237   5.497
   73   HH21  ARG   9          1HH2      ARG   9  14.408  -4.401   8.882
   74   HH22  ARG   9          2HH2      ARG   9  14.832  -5.637   7.746
   75    H    ALA  10           H        ALA  10  12.105   3.724   5.698
   76    HA   ALA  10           HA       ALA  10  14.757   4.350   6.242
   77    HB1  ALA  10           1HB      ALA  10  13.453   5.343   4.413
   78    HB2  ALA  10           2HB      ALA  10  12.537   6.284   5.591
   79    HB3  ALA  10           3HB      ALA  10  14.266   6.567   5.390
   80    H    ARG  11           H        ARG  11  11.820   5.234   7.980
   81    HA   ARG  11           HA       ARG  11  12.775   7.190   9.674
   82    HB2  ARG  11           2HB      ARG  11  10.402   6.341   9.487
   83    HB3  ARG  11           3HB      ARG  11  10.878   4.999  10.519
   84    HG2  ARG  11           2HG      ARG  11  11.463   6.571  12.296
   85    HG3  ARG  11           3HG      ARG  11  10.979   7.916  11.260
   86    HD2  ARG  11           2HD      ARG  11   8.851   6.042  11.308
   87    HD3  ARG  11           3HD      ARG  11   9.368   6.312  12.972
   88    HE   ARG  11           HE       ARG  11   9.113   8.780  11.628
   89   HH11  ARG  11          1HH1      ARG  11   7.198   6.200  12.967
   90   HH12  ARG  11          2HH1      ARG  11   5.832   7.213  13.302
   91   HH21  ARG  11          1HH2      ARG  11   7.322  10.124  12.065
   92   HH22  ARG  11          2HH2      ARG  11   5.904   9.444  12.788
   93    H    LEU  12           H        LEU  12  12.360   3.816  10.743
   94    HA   LEU  12           HA       LEU  12  13.960   3.996  12.999
   95    HB2  LEU  12           2HB      LEU  12  13.549   1.564  11.266
   96    HB3  LEU  12           3HB      LEU  12  14.069   1.567  12.949
   97    HG   LEU  12           HG       LEU  12  11.364   2.441  11.936
   98   HD11  LEU  12          1HD1      LEU  12  11.367   0.123  11.759
   99   HD12  LEU  12          2HD1      LEU  12  10.693   0.411  13.363
  100   HD13  LEU  12          3HD1      LEU  12  12.377  -0.083  13.190
  101   HD21  LEU  12          3HD2      LEU  12  12.744   3.023  14.361
  102   HD22  LEU  12          1HD2      LEU  12  11.395   1.944  14.717
  103   HD23  LEU  12          2HD2      LEU  12  11.107   3.471  13.882
  104    H    ARG  13           H        ARG  13  14.845   3.376   9.662
  105    HA   ARG  13           HA       ARG  13  17.448   2.441  10.028
  106    HB2  ARG  13           2HB      ARG  13  15.955   2.772   7.867
  107    HB3  ARG  13           3HB      ARG  13  16.850   4.282   7.755
  108    HG2  ARG  13           2HG      ARG  13  18.082   1.538   7.898
  109    HG3  ARG  13           3HG      ARG  13  17.862   2.489   6.427
  110    HD2  ARG  13           2HD      ARG  13  19.607   3.128   8.797
  111    HD3  ARG  13           3HD      ARG  13  20.117   2.779   7.146
  112    HE   ARG  13           HE       ARG  13  18.512   4.981   6.928
  113   HH11  ARG  13          1HH1      ARG  13  21.386   4.179   8.721
  114   HH12  ARG  13          2HH1      ARG  13  21.986   5.804   8.739
  115   HH21  ARG  13          1HH2      ARG  13  19.292   7.125   6.944
  116   HH22  ARG  13          2HH2      ARG  13  20.794   7.479   7.728
  117    H    ALA  14           H        ALA  14  16.363   5.785   9.427
  118    HA   ALA  14           HA       ALA  14  18.843   7.027   9.638
  119    HB1  ALA  14           1HB      ALA  14  17.700   8.952   9.429
  120    HB2  ALA  14           2HB      ALA  14  16.333   7.883   9.111
  121    HB3  ALA  14           3HB      ALA  14  16.575   8.548  10.727
  122    H    VAL  15           H        VAL  15  16.463   6.287  12.159
  123    HA   VAL  15           HA       VAL  15  17.787   7.561  14.286
  124    HB   VAL  15           HB       VAL  15  15.982   5.141  14.401
  125   HG11  VAL  15          1HG1      VAL  15  16.786   5.145  16.522
  126   HG12  VAL  15          2HG1      VAL  15  17.236   6.851  16.467
  127   HG13  VAL  15          3HG1      VAL  15  15.552   6.389  16.720
  128   HG21  VAL  15          3HG2      VAL  15  15.420   7.781  13.606
  129   HG22  VAL  15          1HG2      VAL  15  14.273   6.484  13.945
  130   HG23  VAL  15          2HG2      VAL  15  14.756   7.594  15.229
  131    H    GLY  16           H        GLY  16  18.349   4.534  12.690
  132    HA2  GLY  16           2HA      GLY  16  19.746   3.171  14.715
  133    HA3  GLY  16           3HA      GLY  16  19.934   2.902  12.988
  134    H    ALA  17           H        ALA  17  20.941   5.310  12.139
  135    HA   ALA  17           HA       ALA  17  23.670   5.062  12.747
  136    HB1  ALA  17           1HB      ALA  17  23.893   7.239  11.522
  137    HB2  ALA  17           2HB      ALA  17  23.037   5.973  10.641
  138    HB3  ALA  17           3HB      ALA  17  22.133   7.278  11.409
  139    H    ILE  18           H        ILE  18  21.713   7.981  13.344
  140    HA   ILE  18           HA       ILE  18  23.474   9.116  15.190
  141    HB   ILE  18           HB       ILE  18  21.460  10.453  15.949
  142   HG12  ILE  18          2HG1      ILE  18  19.939   9.476  13.608
  143   HG13  ILE  18          3HG1      ILE  18  20.002   8.379  14.984
  144   HG21  ILE  18          1HG2      ILE  18  22.697  11.564  14.373
  145   HG22  ILE  18          2HG2      ILE  18  22.486  10.303  13.159
  146   HG23  ILE  18          3HG2      ILE  18  21.161  11.410  13.520
  147   HD11  ILE  18          3HD1      ILE  18  19.136  10.178  16.419
  148   HD12  ILE  18          1HD1      ILE  18  19.007  11.217  15.000
  149   HD13  ILE  18          2HD1      ILE  18  18.032   9.751  15.111
  Start of MODEL   17
    1    H1   ASP   1           H        ASP   1   2.178  -0.779   1.335
    2    HA   ASP   1           HA       ASP   1   1.823  -1.458  -1.357
    3    HB2  ASP   1           2HB      ASP   1   1.688   1.441  -0.726
    4    HB3  ASP   1           3HB      ASP   1   2.669   0.976  -2.112
    5    HA   PRO   2           HA       PRO   2   6.168  -1.995  -1.115
    6    HB2  PRO   2           2HB      PRO   2   6.957  -1.581  -3.679
    7    HB3  PRO   2           3HB      PRO   2   6.063  -3.018  -3.170
    8    HG2  PRO   2           2HG      PRO   2   5.055  -0.533  -4.501
    9    HG3  PRO   2           3HG      PRO   2   4.643  -2.225  -4.833
   10    HD2  PRO   2           2HD      PRO   2   3.047  -0.596  -3.373
   11    HD3  PRO   2           3HD      PRO   2   3.163  -2.341  -3.070
   12    H    ARG   3           H        ARG   3   5.029   0.982  -2.595
   13    HA   ARG   3           HA       ARG   3   7.608   2.280  -2.238
   14    HB2  ARG   3           2HB      ARG   3   4.992   3.364  -3.298
   15    HB3  ARG   3           3HB      ARG   3   6.526   4.223  -3.298
   16    HG2  ARG   3           2HG      ARG   3   7.187   1.915  -4.584
   17    HG3  ARG   3           3HG      ARG   3   5.521   2.163  -5.110
   18    HD2  ARG   3           2HD      ARG   3   7.826   4.087  -5.363
   19    HD3  ARG   3           3HD      ARG   3   6.984   3.252  -6.667
   20    HE   ARG   3           HE       ARG   3   5.017   4.669  -5.464
   21   HH11  ARG   3          1HH1      ARG   3   8.155   5.509  -6.718
   22   HH12  ARG   3          2HH1      ARG   3   7.696   7.125  -7.143
   23   HH21  ARG   3          1HH2      ARG   3   4.402   6.794  -6.020
   24   HH22  ARG   3          2HH2      ARG   3   5.561   7.855  -6.745
   25    H    ILE   4           H        ILE   4   5.020   1.597  -0.314
   26    HA   ILE   4           HA       ILE   4   5.161   4.103   1.200
   27    HB   ILE   4           HB       ILE   4   3.267   1.763   1.437
   28   HG12  ILE   4          2HG1      ILE   4   2.917   3.225  -0.526
   29   HG13  ILE   4          3HG1      ILE   4   1.588   3.333   0.622
   30   HG21  ILE   4          1HG2      ILE   4   3.569   2.629   3.631
   31   HG22  ILE   4          2HG2      ILE   4   3.475   4.293   3.054
   32   HG23  ILE   4          3HG2      ILE   4   2.040   3.268   3.028
   33   HD11  ILE   4          3HD1      ILE   4   2.557   5.420   1.496
   34   HD12  ILE   4          1HD1      ILE   4   3.816   5.321   0.265
   35   HD13  ILE   4          2HD1      ILE   4   2.130   5.520  -0.212
   36    H    ALA   5           H        ALA   5   6.089   0.768   1.315
   37    HA   ALA   5           HA       ALA   5   6.646   0.774   4.152
   38    HB1  ALA   5           1HB      ALA   5   6.694  -1.205   1.973
   39    HB2  ALA   5           2HB      ALA   5   7.883  -1.448   3.253
   40    HB3  ALA   5           3HB      ALA   5   6.166  -1.368   3.649
   41    H    ALA   6           H        ALA   6   8.383   1.267   1.161
   42    HA   ALA   6           HA       ALA   6  11.008   0.920   2.030
   43    HB1  ALA   6           1HB      ALA   6   9.712   1.915  -0.278
   44    HB2  ALA   6           2HB      ALA   6  10.922   3.104   0.205
   45    HB3  ALA   6           3HB      ALA   6  11.399   1.432  -0.091
   46    H    ARG   7           H        ARG   7   8.743   3.446   2.699
   47    HA   ARG   7           HA       ARG   7  10.828   5.218   3.725
   48    HB2  ARG   7           2HB      ARG   7   8.318   5.648   2.527
   49    HB3  ARG   7           3HB      ARG   7   8.146   6.159   4.201
   50    HG2  ARG   7           2HG      ARG   7  10.267   7.509   3.849
   51    HG3  ARG   7           3HG      ARG   7  10.052   7.189   2.127
   52    HD2  ARG   7           2HD      ARG   7   7.554   8.040   3.080
   53    HD3  ARG   7           3HD      ARG   7   8.744   9.122   3.801
   54    HE   ARG   7           HE       ARG   7   9.274   8.803   1.048
   55   HH11  ARG   7          1HH1      ARG   7   7.026  10.323   3.229
   56   HH12  ARG   7          2HH1      ARG   7   6.630  11.606   2.134
   57   HH21  ARG   7          1HH2      ARG   7   8.760  10.487  -0.402
   58   HH22  ARG   7          2HH2      ARG   7   7.616  11.697   0.069
   59    H    GLY   8           H        GLY   8   8.426   2.972   4.799
   60    HA2  GLY   8           2HA      GLY   8   8.148   3.914   7.465
   61    HA3  GLY   8           3HA      GLY   8   7.744   2.304   6.891
   62    H    ARG   9           H        ARG   9  10.473   1.830   5.890
   63    HA   ARG   9           HA       ARG   9  11.598   0.909   8.391
   64    HB2  ARG   9           2HB      ARG   9  11.534  -0.514   6.341
   65    HB3  ARG   9           3HB      ARG   9  12.679   0.588   5.588
   66    HG2  ARG   9           2HG      ARG   9  14.111   0.061   7.719
   67    HG3  ARG   9           3HG      ARG   9  13.100  -1.385   7.772
   68    HD2  ARG   9           2HD      ARG   9  13.889  -1.111   5.102
   69    HD3  ARG   9           3HD      ARG   9  15.330  -0.768   6.058
   70    HE   ARG   9           HE       ARG   9  14.397  -3.021   7.196
   71   HH11  ARG   9          1HH1      ARG   9  15.025  -2.139   3.887
   72   HH12  ARG   9          2HH1      ARG   9  15.413  -3.753   3.393
   73   HH21  ARG   9          1HH2      ARG   9  14.906  -5.151   6.558
   74   HH22  ARG   9          2HH2      ARG   9  15.344  -5.466   4.913
   75    H    ALA  10           H        ALA  10  12.243   3.358   5.984
   76    HA   ALA  10           HA       ALA  10  14.892   3.982   6.640
   77    HB1  ALA  10           1HB      ALA  10  14.661   5.809   5.281
   78    HB2  ALA  10           2HB      ALA  10  13.310   4.825   4.716
   79    HB3  ALA  10           3HB      ALA  10  13.023   6.155   5.838
   80    H    ARG  11           H        ARG  11  11.851   4.927   8.117
   81    HA   ARG  11           HA       ARG  11  12.629   7.072   9.667
   82    HB2  ARG  11           2HB      ARG  11  10.309   6.095   9.446
   83    HB3  ARG  11           3HB      ARG  11  10.790   4.876  10.620
   84    HG2  ARG  11           2HG      ARG  11  11.211   6.629  12.270
   85    HG3  ARG  11           3HG      ARG  11  10.723   7.850  11.092
   86    HD2  ARG  11           2HD      ARG  11   8.648   5.974  11.137
   87    HD3  ARG  11           3HD      ARG  11   9.100   6.219  12.824
   88    HE   ARG  11           HE       ARG  11   8.258   8.350  12.710
   89   HH11  ARG  11          1HH1      ARG  11   8.577   7.058   9.493
   90   HH12  ARG  11          2HH1      ARG  11   7.721   8.365   8.743
   91   HH21  ARG  11          1HH2      ARG  11   7.131  10.076  11.734
   92   HH22  ARG  11          2HH2      ARG  11   6.900  10.081  10.019
   93    H    LEU  12           H        LEU  12  12.310   3.793  11.023
   94    HA   LEU  12           HA       LEU  12  13.767   4.243  13.330
   95    HB2  LEU  12           2HB      LEU  12  13.665   1.643  11.812
   96    HB3  LEU  12           3HB      LEU  12  13.964   1.855  13.536
   97    HG   LEU  12           HG       LEU  12  11.361   2.478  12.143
   98   HD11  LEU  12          1HD1      LEU  12  10.614   0.406  12.601
   99   HD12  LEU  12          2HD1      LEU  12  11.534   0.288  14.101
  100   HD13  LEU  12          3HD1      LEU  12  12.328  -0.006  12.554
  101   HD21  LEU  12          3HD2      LEU  12  11.730   2.155  15.089
  102   HD22  LEU  12          1HD2      LEU  12  10.479   3.026  14.201
  103   HD23  LEU  12          2HD2      LEU  12  12.106   3.698  14.320
  104    H    ARG  13           H        ARG  13  14.887   3.376  10.116
  105    HA   ARG  13           HA       ARG  13  17.515   2.658  10.716
  106    HB2  ARG  13           2HB      ARG  13  16.139   2.677   8.455
  107    HB3  ARG  13           3HB      ARG  13  16.945   4.225   8.240
  108    HG2  ARG  13           2HG      ARG  13  18.333   1.597   8.725
  109    HG3  ARG  13           3HG      ARG  13  18.145   2.385   7.157
  110    HD2  ARG  13           2HD      ARG  13  19.245   4.409   8.481
  111    HD3  ARG  13           3HD      ARG  13  19.899   3.086   9.447
  112    HE   ARG  13           HE       ARG  13  20.721   3.854   6.840
  113   HH11  ARG  13          1HH1      ARG  13  20.266   1.082   8.895
  114   HH12  ARG  13          2HH1      ARG  13  21.463   0.124   8.088
  115   HH21  ARG  13          1HH2      ARG  13  22.299   2.603   5.769
  116   HH22  ARG  13          2HH2      ARG  13  22.619   0.990   6.311
  117    H    ALA  14           H        ALA  14  16.360   5.836   9.570
  118    HA   ALA  14           HA       ALA  14  18.765   7.205   9.950
  119    HB1  ALA  14           1HB      ALA  14  16.116   8.558  10.284
  120    HB2  ALA  14           2HB      ALA  14  17.588   9.158   9.519
  121    HB3  ALA  14           3HB      ALA  14  16.615   7.926   8.715
  122    H    VAL  15           H        VAL  15  16.044   6.681  12.147
  123    HA   VAL  15           HA       VAL  15  16.929   8.367  14.223
  124    HB   VAL  15           HB       VAL  15  15.238   5.873  14.448
  125   HG11  VAL  15          1HG1      VAL  15  14.337   7.162  16.461
  126   HG12  VAL  15          2HG1      VAL  15  15.927   6.415  16.623
  127   HG13  VAL  15          3HG1      VAL  15  15.792   8.149  16.327
  128   HG21  VAL  15          3HG2      VAL  15  14.696   8.267  13.100
  129   HG22  VAL  15          1HG2      VAL  15  13.554   6.993  13.527
  130   HG23  VAL  15          2HG2      VAL  15  13.800   8.357  14.617
  131    H    GLY  16           H        GLY  16  17.792   5.116  13.300
  132    HA2  GLY  16           2HA      GLY  16  19.217   4.643  15.800
  133    HA3  GLY  16           3HA      GLY  16  19.037   3.506  14.472
  134    H    ALA  17           H        ALA  17  19.881   5.690  12.566
  135    HA   ALA  17           HA       ALA  17  22.580   4.994  12.343
  136    HB1  ALA  17           1HB      ALA  17  22.709   6.530  10.566
  137    HB2  ALA  17           2HB      ALA  17  21.045   5.942  10.553
  138    HB3  ALA  17           3HB      ALA  17  21.415   7.529  11.228
  139    H    ILE  18           H        ILE  18  21.283   8.209  13.204
  140    HA   ILE  18           HA       ILE  18  23.712   9.298  14.045
  141    HB   ILE  18           HB       ILE  18  22.273  10.905  15.374
  142   HG12  ILE  18          2HG1      ILE  18  19.897   9.797  13.960
  143   HG13  ILE  18          3HG1      ILE  18  20.426   8.978  15.426
  144   HG21  ILE  18          1HG2      ILE  18  22.187  12.120  13.510
  145   HG22  ILE  18          2HG2      ILE  18  22.754  10.684  12.659
  146   HG23  ILE  18          3HG2      ILE  18  21.026  11.025  12.761
  147   HD11  ILE  18          3HD1      ILE  18  20.369  11.300  16.504
  148   HD12  ILE  18          1HD1      ILE  18  19.419  11.774  15.096
  149   HD13  ILE  18          2HD1      ILE  18  18.836  10.497  16.165
  Start of MODEL   18
    1    H1   ASP   1           H        ASP   1   1.170   0.544   0.578
    2    HA   ASP   1           HA       ASP   1   1.324  -1.179  -1.808
    3    HB2  ASP   1           2HB      ASP   1   1.209   1.777  -1.562
    4    HB3  ASP   1           3HB      ASP   1   2.318   1.126  -2.766
    5    HA   PRO   2           HA       PRO   2   5.604  -1.756  -1.048
    6    HB2  PRO   2           2HB      PRO   2   6.661  -1.687  -3.548
    7    HB3  PRO   2           3HB      PRO   2   5.676  -3.031  -2.958
    8    HG2  PRO   2           2HG      PRO   2   4.885  -0.720  -4.688
    9    HG3  PRO   2           3HG      PRO   2   4.457  -2.434  -4.846
   10    HD2  PRO   2           2HD      PRO   2   2.772  -0.604  -3.777
   11    HD3  PRO   2           3HD      PRO   2   2.803  -2.298  -3.246
   12    H    ARG   3           H        ARG   3   4.604   1.086  -2.788
   13    HA   ARG   3           HA       ARG   3   7.209   2.356  -2.524
   14    HB2  ARG   3           2HB      ARG   3   4.609   3.417  -3.645
   15    HB3  ARG   3           3HB      ARG   3   6.159   4.245  -3.706
   16    HG2  ARG   3           2HG      ARG   3   6.276   1.557  -4.806
   17    HG3  ARG   3           3HG      ARG   3   5.123   2.599  -5.643
   18    HD2  ARG   3           2HD      ARG   3   7.230   2.840  -6.730
   19    HD3  ARG   3           3HD      ARG   3   6.932   4.318  -5.816
   20    HE   ARG   3           HE       ARG   3   8.408   2.593  -4.196
   21   HH11  ARG   3          1HH1      ARG   3   8.783   4.382  -7.159
   22   HH12  ARG   3          2HH1      ARG   3  10.494   4.583  -6.974
   23   HH21  ARG   3          1HH2      ARG   3  10.660   2.851  -3.941
   24   HH22  ARG   3          2HH2      ARG   3  11.561   3.711  -5.143
   25    H    ILE   4           H        ILE   4   4.617   1.849  -0.552
   26    HA   ILE   4           HA       ILE   4   4.810   4.446   0.794
   27    HB   ILE   4           HB       ILE   4   2.874   2.163   1.189
   28   HG12  ILE   4          2HG1      ILE   4   2.451   4.965   0.128
   29   HG13  ILE   4          3HG1      ILE   4   2.566   3.518  -0.868
   30   HG21  ILE   4          1HG2      ILE   4   3.126   4.793   2.634
   31   HG22  ILE   4          2HG2      ILE   4   1.682   3.784   2.684
   32   HG23  ILE   4          3HG2      ILE   4   3.207   3.171   3.321
   33   HD11  ILE   4          3HD1      ILE   4   0.578   2.625   0.334
   34   HD12  ILE   4          1HD1      ILE   4   0.427   4.190   1.133
   35   HD13  ILE   4          2HD1      ILE   4   0.268   4.075  -0.620
   36    H    ALA   5           H        ALA   5   5.676   1.109   1.125
   37    HA   ALA   5           HA       ALA   5   6.245   1.291   3.954
   38    HB1  ALA   5           1HB      ALA   5   7.416  -1.009   3.263
   39    HB2  ALA   5           2HB      ALA   5   5.680  -0.864   3.545
   40    HB3  ALA   5           3HB      ALA   5   6.311  -0.834   1.899
   41    H    ALA   6           H        ALA   6   7.977   1.560   0.933
   42    HA   ALA   6           HA       ALA   6  10.599   1.218   1.814
   43    HB1  ALA   6           1HB      ALA   6  10.991   1.584  -0.336
   44    HB2  ALA   6           2HB      ALA   6   9.314   2.084  -0.550
   45    HB3  ALA   6           3HB      ALA   6  10.546   3.280  -0.148
   46    H    ARG   7           H        ARG   7   8.385   3.824   2.324
   47    HA   ARG   7           HA       ARG   7  10.507   5.619   3.227
   48    HB2  ARG   7           2HB      ARG   7   7.976   6.008   2.032
   49    HB3  ARG   7           3HB      ARG   7   7.868   6.666   3.659
   50    HG2  ARG   7           2HG      ARG   7  10.128   7.812   3.035
   51    HG3  ARG   7           3HG      ARG   7   9.588   7.516   1.381
   52    HD2  ARG   7           2HD      ARG   7   7.352   8.543   2.666
   53    HD3  ARG   7           3HD      ARG   7   8.694   9.494   3.300
   54    HE   ARG   7           HE       ARG   7   7.592   9.638   0.683
   55   HH11  ARG   7          1HH1      ARG   7  10.574   9.901   2.461
   56   HH12  ARG   7          2HH1      ARG   7  11.319  10.961   1.310
   57   HH21  ARG   7          1HH2      ARG   7   8.561  11.033  -0.839
   58   HH22  ARG   7          2HH2      ARG   7  10.172  11.605  -0.566
   59    H    GLY   8           H        GLY   8   8.065   3.496   4.451
   60    HA2  GLY   8           2HA      GLY   8   7.817   4.615   7.052
   61    HA3  GLY   8           3HA      GLY   8   7.377   2.979   6.583
   62    H    ARG   9           H        ARG   9  10.088   2.377   5.610
   63    HA   ARG   9           HA       ARG   9  11.183   1.512   8.122
   64    HB2  ARG   9           2HB      ARG   9  11.242   0.070   6.129
   65    HB3  ARG   9           3HB      ARG   9  12.278   1.237   5.318
   66    HG2  ARG   9           2HG      ARG   9  14.091   0.356   6.235
   67    HG3  ARG   9           3HG      ARG   9  13.404   0.499   7.855
   68    HD2  ARG   9           2HD      ARG   9  12.124  -1.600   7.408
   69    HD3  ARG   9           3HD      ARG   9  13.020  -1.760   5.898
   70    HE   ARG   9           HE       ARG   9  14.811  -2.521   7.093
   71   HH11  ARG   9          1HH1      ARG   9  12.624  -0.892   9.257
   72   HH12  ARG   9          2HH1      ARG   9  13.495  -1.342  10.686
   73   HH21  ARG   9          1HH2      ARG   9  15.966  -3.120   8.966
   74   HH22  ARG   9          2HH2      ARG   9  15.396  -2.609  10.519
   75    H    ALA  10           H        ALA  10  11.782   4.076   5.860
   76    HA   ALA  10           HA       ALA  10  14.409   4.749   6.400
   77    HB1  ALA  10           1HB      ALA  10  13.998   6.690   5.294
   78    HB2  ALA  10           2HB      ALA  10  12.546   5.806   4.823
   79    HB3  ALA  10           3HB      ALA  10  12.476   6.980   6.137
   80    H    ARG  11           H        ARG  11  11.536   5.288   8.324
   81    HA   ARG  11           HA       ARG  11  12.377   7.247  10.074
   82    HB2  ARG  11           2HB      ARG  11  10.107   6.142   9.979
   83    HB3  ARG  11           3HB      ARG  11  10.797   4.811  10.897
   84    HG2  ARG  11           2HG      ARG  11  11.320   6.343  12.728
   85    HG3  ARG  11           3HG      ARG  11  10.622   7.676  11.806
   86    HD2  ARG  11           2HD      ARG  11   9.062   5.198  12.485
   87    HD3  ARG  11           3HD      ARG  11   9.147   6.584  13.572
   88    HE   ARG  11           HE       ARG  11   8.377   7.385  10.962
   89   HH11  ARG  11          1HH1      ARG  11   7.183   5.836  13.842
   90   HH12  ARG  11          2HH1      ARG  11   5.537   6.302  13.567
   91   HH21  ARG  11          1HH2      ARG  11   6.214   8.005  10.589
   92   HH22  ARG  11          2HH2      ARG  11   4.987   7.535  11.716
   93    H    LEU  12           H        LEU  12  12.414   3.796  10.960
   94    HA   LEU  12           HA       LEU  12  14.164   4.068  13.108
   95    HB2  LEU  12           2HB      LEU  12  13.951   1.621  11.370
   96    HB3  LEU  12           3HB      LEU  12  14.384   1.698  13.077
   97    HG   LEU  12           HG       LEU  12  11.661   2.184  11.873
   98   HD11  LEU  12          1HD1      LEU  12  11.863  -0.101  11.971
   99   HD12  LEU  12          2HD1      LEU  12  11.218   0.250  13.574
  100   HD13  LEU  12          3HD1      LEU  12  12.942  -0.057  13.365
  101   HD21  LEU  12          3HD2      LEU  12  11.817   3.708  13.660
  102   HD22  LEU  12          1HD2      LEU  12  12.695   2.559  14.670
  103   HD23  LEU  12          2HD2      LEU  12  10.987   2.298  14.318
  104    H    ARG  13           H        ARG  13  14.795   3.834   9.698
  105    HA   ARG  13           HA       ARG  13  17.457   3.001   9.717
  106    HB2  ARG  13           2HB      ARG  13  15.764   3.529   7.753
  107    HB3  ARG  13           3HB      ARG  13  16.581   5.087   7.770
  108    HG2  ARG  13           2HG      ARG  13  17.935   2.417   7.439
  109    HG3  ARG  13           3HG      ARG  13  17.544   3.539   6.134
  110    HD2  ARG  13           2HD      ARG  13  18.896   5.176   7.803
  111    HD3  ARG  13           3HD      ARG  13  19.691   3.641   8.149
  112    HE   ARG  13           HE       ARG  13  19.973   5.214   5.796
  113   HH11  ARG  13          1HH1      ARG  13  19.917   1.934   6.962
  114   HH12  ARG  13          2HH1      ARG  13  20.908   1.323   5.678
  115   HH21  ARG  13          1HH2      ARG  13  21.278   4.422   4.101
  116   HH22  ARG  13          2HH2      ARG  13  21.682   2.740   4.052
  117    H    ALA  14           H        ALA  14  16.211   6.342   9.594
  118    HA   ALA  14           HA       ALA  14  18.663   7.644   9.815
  119    HB1  ALA  14           1HB      ALA  14  16.857   8.976   9.179
  120    HB2  ALA  14           2HB      ALA  14  15.868   8.451  10.542
  121    HB3  ALA  14           3HB      ALA  14  17.237   9.530  10.810
  122    H    VAL  15           H        VAL  15  16.542   6.335  12.300
  123    HA   VAL  15           HA       VAL  15  17.875   7.495  14.519
  124    HB   VAL  15           HB       VAL  15  16.210   4.975  14.430
  125   HG11  VAL  15          1HG1      VAL  15  17.243   4.850  16.481
  126   HG12  VAL  15          2HG1      VAL  15  17.363   6.603  16.649
  127   HG13  VAL  15          3HG1      VAL  15  15.810   5.797  16.881
  128   HG21  VAL  15          3HG2      VAL  15  15.528   7.828  14.346
  129   HG22  VAL  15          1HG2      VAL  15  14.589   6.419  13.853
  130   HG23  VAL  15          2HG2      VAL  15  14.643   6.893  15.551
  131    H    GLY  16           H        GLY  16  18.157   4.355  12.893
  132    HA2  GLY  16           2HA      GLY  16  20.030   3.225  14.676
  133    HA3  GLY  16           3HA      GLY  16  19.763   2.718  13.015
  134    H    ALA  17           H        ALA  17  20.388   5.539  12.127
  135    HA   ALA  17           HA       ALA  17  23.154   5.114  11.618
  136    HB1  ALA  17           1HB      ALA  17  22.322   7.831  11.128
  137    HB2  ALA  17           2HB      ALA  17  22.803   6.578   9.984
  138    HB3  ALA  17           3HB      ALA  17  21.127   6.683  10.524
  139    H    ILE  18           H        ILE  18  21.582   7.887  13.226
  140    HA   ILE  18           HA       ILE  18  23.913   8.927  14.358
  141    HB   ILE  18           HB       ILE  18  22.345  10.049  16.002
  142   HG12  ILE  18          2HG1      ILE  18  20.074   9.124  14.310
  143   HG13  ILE  18          3HG1      ILE  18  20.660   8.031  15.559
  144   HG21  ILE  18          1HG2      ILE  18  22.532  11.581  14.400
  145   HG22  ILE  18          2HG2      ILE  18  22.562  10.350  13.138
  146   HG23  ILE  18          3HG2      ILE  18  21.020  10.962  13.737
  147   HD11  ILE  18          3HD1      ILE  18  19.511   9.137  17.082
  148   HD12  ILE  18          1HD1      ILE  18  20.372  10.624  16.686
  149   HD13  ILE  18          2HD1      ILE  18  18.891  10.206  15.823
  Start of MODEL   19
    1    H1   ASP   1           H        ASP   1   1.145  -1.697   1.018
    2    HA   ASP   1           HA       ASP   1   1.593  -1.686  -1.235
    3    HB2  ASP   1           2HB      ASP   1   1.319   1.181  -0.674
    4    HB3  ASP   1           3HB      ASP   1   2.427   0.821  -1.995
    5    HA   PRO   2           HA       PRO   2   5.948  -2.192  -1.308
    6    HB2  PRO   2           2HB      PRO   2   6.537  -1.852  -3.936
    7    HB3  PRO   2           3HB      PRO   2   5.695  -3.277  -3.317
    8    HG2  PRO   2           2HG      PRO   2   4.571  -0.839  -4.641
    9    HG3  PRO   2           3HG      PRO   2   4.148  -2.543  -4.890
   10    HD2  PRO   2           2HD      PRO   2   2.654  -0.879  -3.363
   11    HD3  PRO   2           3HD      PRO   2   2.806  -2.614  -3.017
   12    H    ARG   3           H        ARG   3   4.721   0.709  -2.901
   13    HA   ARG   3           HA       ARG   3   7.301   2.035  -2.679
   14    HB2  ARG   3           2HB      ARG   3   4.658   3.043  -3.747
   15    HB3  ARG   3           3HB      ARG   3   6.188   3.906  -3.832
   16    HG2  ARG   3           2HG      ARG   3   6.436   1.258  -4.943
   17    HG3  ARG   3           3HG      ARG   3   5.131   2.159  -5.718
   18    HD2  ARG   3           2HD      ARG   3   7.399   2.416  -6.775
   19    HD3  ARG   3           3HD      ARG   3   6.593   3.921  -6.332
   20    HE   ARG   3           HE       ARG   3   8.279   3.048  -4.235
   21   HH11  ARG   3          1HH1      ARG   3   8.366   4.491  -7.402
   22   HH12  ARG   3          2HH1      ARG   3   9.862   5.320  -7.126
   23   HH21  ARG   3          1HH2      ARG   3  10.249   4.135  -3.859
   24   HH22  ARG   3          2HH2      ARG   3  10.933   5.116  -5.111
   25    H    ILE   4           H        ILE   4   4.757   1.462  -0.662
   26    HA   ILE   4           HA       ILE   4   4.918   4.056   0.693
   27    HB   ILE   4           HB       ILE   4   3.040   1.730   1.111
   28   HG12  ILE   4          2HG1      ILE   4   2.635   3.061  -0.928
   29   HG13  ILE   4          3HG1      ILE   4   1.337   3.251   0.245
   30   HG21  ILE   4          1HG2      ILE   4   1.844   3.502   2.564
   31   HG22  ILE   4          2HG2      ILE   4   3.218   2.630   3.241
   32   HG23  ILE   4          3HG2      ILE   4   3.428   4.274   2.638
   33   HD11  ILE   4          3HD1      ILE   4   2.350   5.386   0.956
   34   HD12  ILE   4          1HD1      ILE   4   3.556   5.201  -0.317
   35   HD13  ILE   4          2HD1      ILE   4   1.851   5.377  -0.735
   36    H    ALA   5           H        ALA   5   5.862   0.737   0.991
   37    HA   ALA   5           HA       ALA   5   6.478   0.919   3.810
   38    HB1  ALA   5           1HB      ALA   5   7.190  -1.348   3.650
   39    HB2  ALA   5           2HB      ALA   5   5.717  -1.189   2.691
   40    HB3  ALA   5           3HB      ALA   5   7.287  -1.256   1.891
   41    H    ALA   6           H        ALA   6   8.150   1.237   0.759
   42    HA   ALA   6           HA       ALA   6  10.794   0.951   1.594
   43    HB1  ALA   6           1HB      ALA   6  11.140   1.328  -0.562
   44    HB2  ALA   6           2HB      ALA   6   9.448   1.795  -0.745
   45    HB3  ALA   6           3HB      ALA   6  10.663   3.015  -0.362
   46    H    ARG   7           H        ARG   7   8.532   3.506   2.148
   47    HA   ARG   7           HA       ARG   7  10.630   5.344   3.021
   48    HB2  ARG   7           2HB      ARG   7   8.090   5.690   1.850
   49    HB3  ARG   7           3HB      ARG   7   7.959   6.315   3.489
   50    HG2  ARG   7           2HG      ARG   7  10.320   7.398   2.686
   51    HG3  ARG   7           3HG      ARG   7   9.405   7.374   1.178
   52    HD2  ARG   7           2HD      ARG   7   7.568   8.279   3.022
   53    HD3  ARG   7           3HD      ARG   7   9.071   9.038   3.544
   54    HE   ARG   7           HE       ARG   7   8.665   9.305   0.736
   55   HH11  ARG   7          1HH1      ARG   7   7.732  10.591   3.833
   56   HH12  ARG   7          2HH1      ARG   7   7.344  12.161   3.211
   57   HH21  ARG   7          1HH2      ARG   7   8.157  11.367  -0.096
   58   HH22  ARG   7          2HH2      ARG   7   7.585  12.601   0.976
   59    H    GLY   8           H        GLY   8   8.253   3.168   4.279
   60    HA2  GLY   8           2HA      GLY   8   8.026   4.276   6.886
   61    HA3  GLY   8           3HA      GLY   8   7.611   2.633   6.421
   62    H    ARG   9           H        ARG   9  10.321   2.095   5.399
   63    HA   ARG   9           HA       ARG   9  11.479   1.274   7.906
   64    HB2  ARG   9           2HB      ARG   9  11.452  -0.157   5.848
   65    HB3  ARG   9           3HB      ARG   9  12.607   0.953   5.122
   66    HG2  ARG   9           2HG      ARG   9  14.336   0.176   6.348
   67    HG3  ARG   9           3HG      ARG   9  13.332  -0.141   7.764
   68    HD2  ARG   9           2HD      ARG   9  13.107  -1.799   5.272
   69    HD3  ARG   9           3HD      ARG   9  14.319  -2.149   6.504
   70    HE   ARG   9           HE       ARG   9  11.539  -2.737   6.633
   71   HH11  ARG   9          1HH1      ARG   9  14.279  -1.813   8.572
   72   HH12  ARG   9          2HH1      ARG   9  13.653  -2.518  10.026
   73   HH21  ARG   9          1HH2      ARG   9  10.705  -3.669   8.540
   74   HH22  ARG   9          2HH2      ARG   9  11.621  -3.575  10.006
   75    H    ALA  10           H        ALA  10  12.062   3.725   5.491
   76    HA   ALA  10           HA       ALA  10  14.681   4.436   5.992
   77    HB1  ALA  10           1HB      ALA  10  12.452   5.580   4.663
   78    HB2  ALA  10           2HB      ALA  10  13.197   6.833   5.657
   79    HB3  ALA  10           3HB      ALA  10  14.164   5.960   4.468
   80    H    ARG  11           H        ARG  11  11.770   5.314   7.792
   81    HA   ARG  11           HA       ARG  11  12.771   7.255   9.477
   82    HB2  ARG  11           2HB      ARG  11  10.387   6.431   9.324
   83    HB3  ARG  11           3HB      ARG  11  10.865   5.081  10.345
   84    HG2  ARG  11           2HG      ARG  11  11.494   6.643  12.118
   85    HG3  ARG  11           3HG      ARG  11  11.008   7.995  11.092
   86    HD2  ARG  11           2HD      ARG  11   8.813   6.300  11.074
   87    HD3  ARG  11           3HD      ARG  11   9.394   6.235  12.737
   88    HE   ARG  11           HE       ARG  11   8.060   8.407  11.488
   89   HH11  ARG  11          1HH1      ARG  11  10.540   7.647  13.810
   90   HH12  ARG  11          2HH1      ARG  11  10.339   9.119  14.702
   91   HH21  ARG  11          1HH2      ARG  11   7.786  10.349  12.654
   92   HH22  ARG  11          2HH2      ARG  11   8.772  10.654  14.044
   93    H    LEU  12           H        LEU  12  12.339   3.883  10.544
   94    HA   LEU  12           HA       LEU  12  13.969   4.036  12.776
   95    HB2  LEU  12           2HB      LEU  12  13.454   1.645  11.014
   96    HB3  LEU  12           3HB      LEU  12  14.110   1.583  12.649
   97    HG   LEU  12           HG       LEU  12  11.391   2.721  12.048
   98   HD11  LEU  12          1HD1      LEU  12  11.030   0.579  11.306
   99   HD12  LEU  12          2HD1      LEU  12  10.701   0.398  13.029
  100   HD13  LEU  12          3HD1      LEU  12  12.254  -0.115  12.369
  101   HD21  LEU  12          3HD2      LEU  12  12.103   3.390  14.177
  102   HD22  LEU  12          1HD2      LEU  12  12.853   1.829  14.514
  103   HD23  LEU  12          2HD2      LEU  12  11.096   1.972  14.473
  104    H    ARG  13           H        ARG  13  14.816   3.526   9.424
  105    HA   ARG  13           HA       ARG  13  17.403   2.525   9.716
  106    HB2  ARG  13           2HB      ARG  13  15.897   2.992   7.590
  107    HB3  ARG  13           3HB      ARG  13  16.820   4.488   7.544
  108    HG2  ARG  13           2HG      ARG  13  18.000   1.717   7.536
  109    HG3  ARG  13           3HG      ARG  13  17.785   2.746   6.118
  110    HD2  ARG  13           2HD      ARG  13  19.549   3.257   8.506
  111    HD3  ARG  13           3HD      ARG  13  20.057   2.936   6.848
  112    HE   ARG  13           HE       ARG  13  18.476   5.193   6.739
  113   HH11  ARG  13          1HH1      ARG  13  21.436   4.234   8.300
  114   HH12  ARG  13          2HH1      ARG  13  22.103   5.833   8.307
  115   HH21  ARG  13          1HH2      ARG  13  19.343   7.302   6.742
  116   HH22  ARG  13          2HH2      ARG  13  20.911   7.578   7.421
  117    H    ALA  14           H        ALA  14  16.361   5.912   9.331
  118    HA   ALA  14           HA       ALA  14  18.907   7.058   9.621
  119    HB1  ALA  14           1HB      ALA  14  17.621   8.725   8.883
  120    HB2  ALA  14           2HB      ALA  14  16.153   7.993   9.531
  121    HB3  ALA  14           3HB      ALA  14  17.182   8.976  10.573
  122    H    VAL  15           H        VAL  15  16.380   6.349  12.001
  123    HA   VAL  15           HA       VAL  15  17.580   7.556  14.223
  124    HB   VAL  15           HB       VAL  15  15.800   5.116  14.163
  125   HG11  VAL  15          1HG1      VAL  15  15.232   5.882  16.499
  126   HG12  VAL  15          2HG1      VAL  15  16.843   5.192  16.291
  127   HG13  VAL  15          3HG1      VAL  15  16.638   6.941  16.405
  128   HG21  VAL  15          3HG2      VAL  15  14.371   6.642  13.303
  129   HG22  VAL  15          1HG2      VAL  15  14.220   7.130  14.991
  130   HG23  VAL  15          2HG2      VAL  15  15.299   8.013  13.910
  131    H    GLY  16           H        GLY  16  18.127   4.449  12.700
  132    HA2  GLY  16           2HA      GLY  16  19.665   3.343  14.845
  133    HA3  GLY  16           3HA      GLY  16  19.571   2.723  13.204
  134    H    ALA  17           H        ALA  17  20.378   5.439  12.178
  135    HA   ALA  17           HA       ALA  17  23.176   4.925  12.055
  136    HB1  ALA  17           1HB      ALA  17  22.477   7.591  11.208
  137    HB2  ALA  17           2HB      ALA  17  23.065   6.226  10.257
  138    HB3  ALA  17           3HB      ALA  17  21.338   6.404  10.570
  139    H    ILE  18           H        ILE  18  21.359   7.713  13.352
  140    HA   ILE  18           HA       ILE  18  23.533   8.984  14.558
  141    HB   ILE  18           HB       ILE  18  21.790  10.047  16.059
  142   HG12  ILE  18          2HG1      ILE  18  19.642   8.999  14.326
  143   HG13  ILE  18          3HG1      ILE  18  20.300   7.845  15.481
  144   HG21  ILE  18          1HG2      ILE  18  21.338  10.109  13.078
  145   HG22  ILE  18          2HG2      ILE  18  20.783  11.328  14.224
  146   HG23  ILE  18          3HG2      ILE  18  22.510  11.072  13.977
  147   HD11  ILE  18          3HD1      ILE  18  19.910  10.180  16.941
  148   HD12  ILE  18          1HD1      ILE  18  18.491  10.037  15.905
  149   HD13  ILE  18          2HD1      ILE  18  18.931   8.714  16.984
  Start of MODEL   20
    1    H1   ASP   1           H        ASP   1   2.451  -0.690   1.776
    2    HA   ASP   1           HA       ASP   1   1.664  -1.377  -0.871
    3    HB2  ASP   1           2HB      ASP   1   1.277   1.365  -0.036
    4    HB3  ASP   1           3HB      ASP   1   2.458   1.272  -1.341
    5    HA   PRO   2           HA       PRO   2   5.997  -1.811  -1.393
    6    HB2  PRO   2           2HB      PRO   2   6.335  -1.228  -4.023
    7    HB3  PRO   2           3HB      PRO   2   5.563  -2.715  -3.460
    8    HG2  PRO   2           2HG      PRO   2   4.304  -0.185  -4.448
    9    HG3  PRO   2           3HG      PRO   2   3.870  -1.866  -4.810
   10    HD2  PRO   2           2HD      PRO   2   2.516  -0.368  -3.006
   11    HD3  PRO   2           3HD      PRO   2   2.711  -2.124  -2.835
   12    H    ARG   3           H        ARG   3   4.669   1.177  -2.773
   13    HA   ARG   3           HA       ARG   3   7.242   2.513  -2.519
   14    HB2  ARG   3           2HB      ARG   3   4.579   3.546  -3.513
   15    HB3  ARG   3           3HB      ARG   3   6.101   4.424  -3.577
   16    HG2  ARG   3           2HG      ARG   3   5.507   1.837  -5.000
   17    HG3  ARG   3           3HG      ARG   3   5.531   3.442  -5.734
   18    HD2  ARG   3           2HD      ARG   3   7.852   1.992  -4.470
   19    HD3  ARG   3           3HD      ARG   3   7.615   2.312  -6.187
   20    HE   ARG   3           HE       ARG   3   7.601   4.751  -4.808
   21   HH11  ARG   3          1HH1      ARG   3   9.789   2.178  -5.652
   22   HH12  ARG   3          2HH1      ARG   3  11.189   3.199  -5.669
   23   HH21  ARG   3          1HH2      ARG   3   9.436   6.105  -4.827
   24   HH22  ARG   3          2HH2      ARG   3  10.987   5.432  -5.199
   25    H    ILE   4           H        ILE   4   4.724   1.830  -0.503
   26    HA   ILE   4           HA       ILE   4   4.879   4.363   0.964
   27    HB   ILE   4           HB       ILE   4   3.023   2.006   1.298
   28   HG12  ILE   4          2HG1      ILE   4   2.593   3.428  -0.677
   29   HG13  ILE   4          3HG1      ILE   4   1.300   3.543   0.512
   30   HG21  ILE   4          1HG2      ILE   4   1.852   3.826   2.801
   31   HG22  ILE   4          2HG2      ILE   4   3.096   2.761   3.453
   32   HG23  ILE   4          3HG2      ILE   4   3.506   4.409   2.980
   33   HD11  ILE   4          3HD1      ILE   4   3.166   5.569   1.112
   34   HD12  ILE   4          1HD1      ILE   4   2.873   5.615  -0.626
   35   HD13  ILE   4          2HD1      ILE   4   1.521   5.738   0.500
   36    H    ALA   5           H        ALA   5   5.852   1.042   1.105
   37    HA   ALA   5           HA       ALA   5   6.496   1.104   3.923
   38    HB1  ALA   5           1HB      ALA   5   7.504  -1.145   3.438
   39    HB2  ALA   5           2HB      ALA   5   5.785  -0.997   3.068
   40    HB3  ALA   5           3HB      ALA   5   6.975  -0.943   1.767
   41    H    ALA   6           H        ALA   6   8.122   1.607   0.879
   42    HA   ALA   6           HA       ALA   6  10.781   1.291   1.664
   43    HB1  ALA   6           1HB      ALA   6  11.109   1.795  -0.470
   44    HB2  ALA   6           2HB      ALA   6   9.405   2.226  -0.616
   45    HB3  ALA   6           3HB      ALA   6  10.592   3.456  -0.183
   46    H    ARG   7           H        ARG   7   8.507   3.799   2.370
   47    HA   ARG   7           HA       ARG   7  10.601   5.605   3.315
   48    HB2  ARG   7           2HB      ARG   7   7.973   5.953   2.261
   49    HB3  ARG   7           3HB      ARG   7   8.003   6.613   3.890
   50    HG2  ARG   7           2HG      ARG   7  10.194   7.768   3.079
   51    HG3  ARG   7           3HG      ARG   7   9.528   7.460   1.474
   52    HD2  ARG   7           2HD      ARG   7   7.517   8.538   3.238
   53    HD3  ARG   7           3HD      ARG   7   8.931   9.590   3.181
   54    HE   ARG   7           HE       ARG   7   8.454   9.048   0.573
   55   HH11  ARG   7          1HH1      ARG   7   6.471  10.233   3.178
   56   HH12  ARG   7          2HH1      ARG   7   5.444  11.170   2.143
   57   HH21  ARG   7          1HH2      ARG   7   7.110  10.278  -0.799
   58   HH22  ARG   7          2HH2      ARG   7   5.808  11.194  -0.118
   59    H    GLY   8           H        GLY   8   8.254   3.349   4.482
   60    HA2  GLY   8           2HA      GLY   8   8.046   4.324   7.145
   61    HA3  GLY   8           3HA      GLY   8   7.631   2.706   6.601
   62    H    ARG   9           H        ARG   9  10.299   2.172   5.537
   63    HA   ARG   9           HA       ARG   9  11.503   1.279   7.999
   64    HB2  ARG   9           2HB      ARG   9  11.422  -0.135   5.954
   65    HB3  ARG   9           3HB      ARG   9  12.513   0.996   5.165
   66    HG2  ARG   9           2HG      ARG   9  14.245  -0.101   5.989
   67    HG3  ARG   9           3HG      ARG   9  13.689   0.245   7.628
   68    HD2  ARG   9           2HD      ARG   9  12.299  -1.747   7.600
   69    HD3  ARG   9           3HD      ARG   9  12.774  -2.076   5.934
   70    HE   ARG   9           HE       ARG   9  15.026  -1.902   7.675
   71   HH11  ARG   9          1HH1      ARG   9  12.459  -3.999   6.611
   72   HH12  ARG   9          2HH1      ARG   9  13.325  -5.456   6.969
   73   HH21  ARG   9          1HH2      ARG   9  16.177  -3.813   8.150
   74   HH22  ARG   9          2HH2      ARG   9  15.440  -5.349   7.845
   75    H    ALA  10           H        ALA  10  12.034   3.798   5.655
   76    HA   ALA  10           HA       ALA  10  14.685   4.455   6.103
   77    HB1  ALA  10           1HB      ALA  10  13.746   6.884   5.671
   78    HB2  ALA  10           2HB      ALA  10  13.796   5.674   4.389
   79    HB3  ALA  10           3HB      ALA  10  12.287   5.988   5.246
   80    H    ARG  11           H        ARG  11  11.833   5.246   8.014
   81    HA   ARG  11           HA       ARG  11  12.841   7.181   9.703
   82    HB2  ARG  11           2HB      ARG  11  10.479   6.287   9.623
   83    HB3  ARG  11           3HB      ARG  11  11.036   4.931  10.594
   84    HG2  ARG  11           2HG      ARG  11  11.686   6.472  12.376
   85    HG3  ARG  11           3HG      ARG  11  11.122   7.831  11.401
   86    HD2  ARG  11           2HD      ARG  11   9.267   5.567  11.989
   87    HD3  ARG  11           3HD      ARG  11   9.578   6.778  13.232
   88    HE   ARG  11           HE       ARG  11   7.959   7.092  10.914
   89   HH11  ARG  11          1HH1      ARG  11  10.111   8.792  13.058
   90   HH12  ARG  11          2HH1      ARG  11   9.395  10.341  12.760
   91   HH21  ARG  11          1HH2      ARG  11   7.008   9.125  10.513
   92   HH22  ARG  11          2HH2      ARG  11   7.629  10.529  11.312
   93    H    LEU  12           H        LEU  12  12.552   3.775  10.708
   94    HA   LEU  12           HA       LEU  12  14.245   3.915  12.886
   95    HB2  LEU  12           2HB      LEU  12  13.877   1.540  11.068
   96    HB3  LEU  12           3HB      LEU  12  14.437   1.502  12.738
   97    HG   LEU  12           HG       LEU  12  11.688   2.424  11.912
   98   HD11  LEU  12          1HD1      LEU  12  11.317   0.065  13.197
   99   HD12  LEU  12          2HD1      LEU  12  12.793  -0.267  12.292
  100   HD13  LEU  12          3HD1      LEU  12  11.339   0.258  11.444
  101   HD21  LEU  12          3HD2      LEU  12  11.952   1.397  14.577
  102   HD22  LEU  12          1HD2      LEU  12  11.417   2.989  14.041
  103   HD23  LEU  12          2HD2      LEU  12  13.133   2.679  14.306
  104    H    ARG  13           H        ARG  13  15.021   3.617   9.499
  105    HA   ARG  13           HA       ARG  13  17.649   2.695   9.662
  106    HB2  ARG  13           2HB      ARG  13  16.070   3.238   7.609
  107    HB3  ARG  13           3HB      ARG  13  16.938   4.767   7.634
  108    HG2  ARG  13           2HG      ARG  13  18.214   2.048   7.422
  109    HG3  ARG  13           3HG      ARG  13  17.924   3.154   6.078
  110    HD2  ARG  13           2HD      ARG  13  19.259   4.817   7.651
  111    HD3  ARG  13           3HD      ARG  13  19.914   3.306   8.279
  112    HE   ARG  13           HE       ARG  13  20.539   4.530   5.788
  113   HH11  ARG  13          1HH1      ARG  13  20.159   1.446   7.358
  114   HH12  ARG  13          2HH1      ARG  13  21.239   0.620   6.284
  115   HH21  ARG  13          1HH2      ARG  13  21.962   3.453   4.368
  116   HH22  ARG  13          2HH2      ARG  13  22.265   1.763   4.584
  117    H    ALA  14           H        ALA  14  16.502   6.067   9.468
  118    HA   ALA  14           HA       ALA  14  19.085   7.175   9.935
  119    HB1  ALA  14           1HB      ALA  14  16.397   8.166   9.435
  120    HB2  ALA  14           2HB      ALA  14  17.290   9.160  10.586
  121    HB3  ALA  14           3HB      ALA  14  17.959   8.850   8.985
  122    H    VAL  15           H        VAL  15  16.302   6.451  11.975
  123    HA   VAL  15           HA       VAL  15  17.099   7.777  14.301
  124    HB   VAL  15           HB       VAL  15  15.544   5.195  14.078
  125   HG11  VAL  15          1HG1      VAL  15  16.133   5.293  16.315
  126   HG12  VAL  15          2HG1      VAL  15  16.086   7.057  16.356
  127   HG13  VAL  15          3HG1      VAL  15  14.584   6.134  16.295
  128   HG21  VAL  15          3HG2      VAL  15  14.007   7.551  14.701
  129   HG22  VAL  15          1HG2      VAL  15  14.886   7.759  13.186
  130   HG23  VAL  15          2HG2      VAL  15  13.795   6.389  13.392
  131    H    GLY  16           H        GLY  16  18.128   4.729  12.931
  132    HA2  GLY  16           2HA      GLY  16  19.490   3.865  15.327
  133    HA3  GLY  16           3HA      GLY  16  19.551   3.089  13.752
  134    H    ALA  17           H        ALA  17  20.269   5.796  12.572
  135    HA   ALA  17           HA       ALA  17  23.088   5.422  12.622
  136    HB1  ALA  17           1HB      ALA  17  21.196   6.926  11.091
  137    HB2  ALA  17           2HB      ALA  17  22.535   7.970  11.568
  138    HB3  ALA  17           3HB      ALA  17  22.853   6.477  10.685
  139    H    ILE  18           H        ILE  18  21.067   8.158  13.709
  140    HA   ILE  18           HA       ILE  18  23.110   9.607  14.942
  141    HB   ILE  18           HB       ILE  18  21.247  10.622  16.327
  142   HG12  ILE  18          2HG1      ILE  18  19.301   9.256  14.532
  143   HG13  ILE  18          3HG1      ILE  18  19.902   8.353  15.919
  144   HG21  ILE  18          1HG2      ILE  18  20.387  11.881  14.499
  145   HG22  ILE  18          2HG2      ILE  18  22.050  11.453  14.103
  146   HG23  ILE  18          3HG2      ILE  18  20.714  10.571  13.365
  147   HD11  ILE  18          3HD1      ILE  18  18.779  11.108  16.234
  148   HD12  ILE  18          1HD1      ILE  18  17.736   9.688  16.174
  149   HD13  ILE  18          2HD1      ILE  18  18.956   9.833  17.440