*HEADER    ANTIMICROBIAL PROTEIN                   29-JAN-19   6QKF              
*TITLE     STRUCTURE INVESTIGATIONS OF PROTEGRIN-4 BY HIGH RESOLUTION NMR        
*TITLE    2 SPECTROSCOPY                                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEGRIN-4;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PG-4;                                                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SUS SCROFA;                                     
*SOURCE   4 ORGANISM_COMMON: PIG;                                                
*SOURCE   5 ORGANISM_TAXID: 9823                                                 
*KEYWDS    PROTEGRIN, ANTIMICROBIAL PROTEIN                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    K.S.USACHEV,O.A.KOLOSOVA,E.A.KLOCHKOVA,V.V.KLOCHKOV                   
*REVDAT   1   20-MAR-19 6QKF    0                                                
# Restraints file 1: dihed.tbl
assign (resid   3 and name c )   (resid   4 and name n )
        (resid   4 and name ca)   (resid   4 and name c )   1.0 -139.0 25.0 2

assign (resid   4 and name c )   (resid   5 and name n )
        (resid   5 and name ca)   (resid   5 and name c )   1.0 -139.0 25.0 2

assign (resid   5 and name c )   (resid   6 and name n )
        (resid   6 and name ca)   (resid   6 and name c )   1.0 -139.0 25.0 2

assign (resid   6 and name c )   (resid   7 and name n )
        (resid   7 and name ca)   (resid   7 and name c )   1.0 -139.0 25.0 2

assign (resid   7 and name c )   (resid   8 and name n )
        (resid   8 and name ca)   (resid   8 and name c )   1.0 -139.0 30.0 2

 assign (resid   8 and name c )   (resid   9 and name n )
        (resid   9 and name ca)   (resid   9 and name c )   1.0 -139.0 25.0 2


assign (resid   11 and name c )   (resid   12 and name n )
        (resid   12 and name ca)   (resid   12 and name c )   1.0 -139.0 25.0 2

assign (resid   12 and name c )   (resid   13 and name n )
        (resid   13 and name ca)   (resid   13 and name c )   1.0 -139.0 40.0 2

assign (resid   13 and name c )   (resid   14 and name n )
        (resid   14 and name ca)   (resid   14 and name c )   1.0 -139.0 25.0 2

assign (resid   14 and name c )   (resid   15 and name n )
        (resid   15 and name ca)   (resid   15 and name c )   1.0 -139.0 25.0 2

assign (resid   15 and name c )   (resid   16 and name n )
        (resid   16 and name ca)   (resid   16 and name c )   1.0 -139.0 25.0 2

assign (resid   16 and name c )   (resid   17 and name n )
        (resid   17 and name ca)   (resid   17 and name c )   1.0 -139.0 25.0 2

assign (resid   17 and name c )   (resid   18 and name n )
        (resid   18 and name ca)   (resid   18 and name c )   1.0 -139.0 25.0 2





assign (resid   4 and name n )   (resid   4 and name ca)
        (resid   4 and name c )   (resid   5 and name n )   1.0  135.0 15.0 2

assign (resid   5 and name n )   (resid   5 and name ca)
        (resid   5 and name c )   (resid   6 and name n )   1.0  135.0 15.0 2

assign (resid   6 and name n )   (resid   6 and name ca)
        (resid   6 and name c )   (resid   7 and name n )   1.0  135.0 15.0 2

assign (resid   7 and name n )   (resid   7 and name ca)
        (resid   7 and name c )   (resid   8 and name n )   1.0  135.0 15.0 2

assign (resid   8 and name n )   (resid   8 and name ca)
        (resid   8 and name c )   (resid   9 and name n )   1.0  135.0 15.0 2

assign (resid   9 and name n )   (resid   9 and name ca)
        (resid   9 and name c )   (resid   10 and name n )   1.0  99.0 15.0 2

assign (resid   12 and name n )   (resid   12 and name ca)
        (resid   12 and name c )   (resid   13 and name n )   1.0  135.0 15.0 2

assign (resid   13 and name n )   (resid   13 and name ca)
        (resid   13 and name c )   (resid   14 and name n )   1.0  135.0 15.0 2

assign (resid   14 and name n )   (resid   14 and name ca)
        (resid   14 and name c )   (resid   15 and name n )   1.0  135.0 15.0 2

assign (resid   15 and name n )   (resid   15 and name ca)
        (resid   15 and name c )   (resid   16 and name n )   1.0  135.0 15.0 2

assign (resid   16 and name n )   (resid   16 and name ca)
        (resid   16 and name c )   (resid   17 and name n )   1.0  135.0 15.0 2

assign (resid   17 and name n )   (resid   17 and name ca)
        (resid   17 and name c )   (resid   18 and name n )   1.0  135.0 25.0 2
# Restraints file 2: rest.tbl
# H-bonds
 assi 
   (( segid "   A" and resid 14   and name  HN  ))
   (( segid "   A" and resid 7    and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 7    and name  HN  ))
   (( segid "   A" and resid 14   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 9    and name  HN  ))
   (( segid "   A" and resid 12   and name  O   ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 9    and name  O   ))
   (( segid "   A" and resid 12   and name  HN  ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 5    and name  O   ))
   (( segid "   A" and resid 16   and name  HN  ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 16   and name  O   ))
   (( segid "   A" and resid 5    and name  HN  ))
      2.200     0.470     0.500

 assi 
   (( segid "   A" and resid 16   and name  O   ))
   (( segid "   A" and resid 5    and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 12   and name  O   ))
   (( segid "   A" and resid 9    and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 9    and name  O   ))
   (( segid "   A" and resid 12   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 14   and name  O   ))
   (( segid "   A" and resid 7    and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 7    and name  O   ))
   (( segid "   A" and resid 14   and name  N   ))
      3.200     0.684     0.727

 assi 
   (( segid "   A" and resid 5    and name  O   ))
   (( segid "   A" and resid 16   and name  N   ))
      3.200     0.684     0.727

# NOES

assign ( resid 2 and name HN
	 )
       ( resid 2 and name HA1
	 ) 2.6 0.9 1.1 volume=306559576.000 peak=1 ppm1=8.742 ppm2=3.978

assign ( resid 3 and name HN
	 )
       ( resid 2 and name HA1
	 ) 2.4 0.7 1.1 volume=439005548.000 peak=2 ppm1=8.320 ppm2=3.982

assign ( resid 3 and name HN
	 )
       ( resid 3 and name HA1
	 ) 3.2 1.3 1.4 volume=80857557.000 peak=3 ppm1=8.319 ppm2=3.954

assign ( resid 4 and name HN
	 )
       ( resid 4 and name HA
	 ) 3.0 1.2 1.3 volume=122446739.000 peak=4 ppm1=8.182 ppm2=4.296

assign ( resid 12 and name HN
	 )
       ( resid 12 and name HA
	 ) 3.6 1.5 1.6 volume=39173892.250 peak=5 ppm1=9.380 ppm2=4.827

assign ( resid 6 and name HN
	 )
       ( resid 6 and name HA
	 ) 3.3 1.3 1.4 volume=69642104.000 peak=6 ppm1=9.346 ppm2=4.818

assign ( resid 11 and name HN
	 )
       ( resid 11 and name HA
	 ) 3.6 1.4 1.6 volume=39312115.250 peak=7 ppm1=7.952 ppm2=5.047

assign ( resid 12 and name HN
	 )
       ( resid 11 and name HA
	 ) 3.2 1.3 1.4 volume=83125668.500 peak=36 ppm1=9.381 ppm2=5.047

assign ( resid 9 and name HN
	 )
       ( resid 9 and name HA
	 ) 2.8 1.1 1.3 volume=169218134.000 peak=8 ppm1=9.127 ppm2=3.782

assign ( resid 13 and name HN
	 )
       ( resid 13 and name HA
	 ) 3.8 1.5 1.7 volume=28252115.000 peak=9 ppm1=8.907 ppm2=5.729

assign ( resid 13 and name HN
	 )
       ( resid 12 and name HA
	 ) 3.2 1.3 1.4 volume=78564466.000 peak=10 ppm1=8.907 ppm2=4.823

assign ( resid 7 and name HN
	 )
       ( resid 7 and name HA
	 ) 3.9 1.6 1.7 volume=26298510.250 peak=11 ppm1=8.807 ppm2=5.568

assign ( resid 7 and name HN
	 )
       ( resid 6 and name HA
	 ) 2.8 1.1 1.2 volume=192922848.000 peak=12 ppm1=8.808 ppm2=4.818

assign ( resid 14 and name HN
	 )
       ( resid 14 and name HA
	 ) 3.8 1.5 1.7 volume=30966854.000 peak=13 ppm1=9.803 ppm2=5.499

assign ( resid 14 and name HN
	 )
       ( resid 13 and name HA
	 ) 3.1 1.3 1.4 volume=94477907.000 peak=14 ppm1=9.804 ppm2=5.729

assign ( resid 6 and name HN
	 )
       ( resid 5 and name HA
	 ) 3.0 1.2 1.3 volume=120792876.000 peak=16 ppm1=9.348 ppm2=5.449

assign ( resid 15 and name HN
	 )
       ( resid 15 and name HA
	 ) 3.6 1.4 1.6 volume=43129232.000 peak=18 ppm1=8.222 ppm2=3.518

assign ( resid 16 and name HN
	 )
       ( resid 16 and name HA
	 ) 3.3 1.3 1.5 volume=64518532.500 peak=19 ppm1=8.355 ppm2=4.128

assign ( resid 17 and name HN
	 )
       ( resid 17 and name HA1
	 ) 2.8 1.1 1.2 volume=194658058.000 peak=20 ppm1=8.184 ppm2=3.899

assign ( resid 17 and name HN
	 )
       ( resid 17 and name HA2
	 ) 2.9 1.2 1.3 volume=154615195.000 peak=21 ppm1=8.184 ppm2=3.786

assign ( resid 4 and name HN
	 )
       ( resid 3 and name HA1
	 ) 2.5 0.8 1.1 volume=330957294.000 peak=22 ppm1=8.182 ppm2=3.961

assign ( resid 18 and name HN
	 )
       ( resid 17 and name HA2
	 ) 2.9 1.2 1.3 volume=135620004.000 peak=23 ppm1=7.728 ppm2=3.785

assign ( resid 18 and name HN
	 )
       ( resid 18 and name HA
	 ) 3.0 1.2 1.3 volume=131643349.000 peak=24 ppm1=7.728 ppm2=4.082

assign ( resid 18 and name HN
	 )
       ( resid 17 and name HA1
	 ) 3.0 1.2 1.3 volume=125892754.000 peak=25 ppm1=7.728 ppm2=3.898

assign ( resid 5 and name HN
	 )
       ( resid 4 and name HA
	 ) 2.8 1.1 1.2 volume=180473086.000 peak=26 ppm1=8.023 ppm2=4.295

assign ( resid 16 and name HN
	 )
       ( resid 15 and name HA
	 ) 3.1 1.3 1.4 volume=91285173.000 peak=27 ppm1=8.354 ppm2=3.519

assign ( resid 10 and name HN
	 )
       ( resid 10 and name HA1
	 ) 3.5 1.4 1.5 volume=55097803.500 peak=28 ppm1=6.961 ppm2=3.622

assign ( resid 10 and name HN
	 )
       ( resid 10 and name HA2
	 ) 3.4 1.3 1.4 volume=92365524.000 peak=29 ppm1=6.963 ppm2=4.187

assign ( resid 14 and name HD#
	 )
       ( resid 14 and name HA
	 ) 3.1 1.2 1.4 volume=101259516.000 peak=31 ppm1=7.109 ppm2=5.504


assign ( resid 15 and name HN
	 )
       ( resid 14 and name HA
	 ) 3.1 1.3 1.4 volume=91513828.000 peak=35 ppm1=8.222 ppm2=5.504

assign ( resid 11 and name HE1
	 )
       ( resid 11 and name HD1
	 ) 2.6 0.9 1.1 volume=291868971.000 peak=37 ppm1=10.213 ppm2=7.219

assign ( resid 11 and name HE1
	 )
       ( resid 11 and name HZ2
	 ) 2.8 1.1 1.2 volume=181695510.000 peak=38 ppm1=10.214 ppm2=7.318

assign ( resid 11 and name HE1
	 )
       ( resid 11 and name HN
	 ) 4.0 1.6 1.7 volume=23336942.875 peak=39 ppm1=10.214 ppm2=7.949

assign ( resid 14 and name HN
	 )
       ( resid 14 and name HD#
	 ) 3.7 1.5 1.6 volume=35455596.500 peak=40 ppm1=9.802 ppm2=7.100

assign ( resid 14 and name HN
	 )
       ( resid 14 and name HE#
	 ) 3.7 1.5 1.6 volume=32515592.000 peak=41 ppm1=9.803 ppm2=6.977

assign ( resid 8 and name HN
	 )
       ( resid 7 and name HD#
	 ) 3.1 1.2 1.4 volume=99372808.000 peak=43 ppm1=8.824 ppm2=6.921

assign ( resid 11 and name HE3
	 )
       ( resid 11 and name HZ2
	 ) 3.7 1.5 1.6 volume=34904088.250 peak=44 ppm1=6.977 ppm2=7.319

assign ( resid 11 and name HE3
	 )
       ( resid 11 and name HD1
	 ) 3.7 1.5 1.9 volume=32381627.250 peak=45 ppm1=6.976 ppm2=7.217

assign ( resid 11 and name HH2
	 )
       ( resid 11 and name HZ2
	 ) 2.7 0.9 1.2 volume=254652122.000 peak=46 ppm1=6.895 ppm2=7.318

assign ( resid 11 and name HZ3
	 )
       ( resid 11 and name HZ2
	 ) 3.3 1.3 1.8 volume=74266211.000 peak=47 ppm1=6.703 ppm2=7.318

assign ( resid 11 and name HZ3
	 )
       ( resid 11 and name HH2
	 ) 2.8 1.1 1.2 volume=181159434.000 peak=48 ppm1=6.703 ppm2=6.891

assign ( resid 11 and name HZ3
	 )
       ( resid 11 and name HE3
	 ) 2.8 1.1 1.2 volume=176806963.000 peak=49 ppm1=6.701 ppm2=6.976

assign ( resid 7 and name HE#
	 )
       ( resid 7 and name HD#
	 ) 2.3 0.6 1.0 volume=638894248.000 peak=50 ppm1=6.587 ppm2=6.921

assign ( resid 7 and name HE#
	 )
       ( resid 7 and name HD#
	 ) 2.2 0.5 1.0 volume=732908840.000 peak=51 ppm1=6.575 ppm2=6.921

assign ( resid 14 and name HE#
	 )
       ( resid 14 and name HD#
	 ) 2.3 0.6 1.0 volume=577217736.000 peak=52 ppm1=7.008 ppm2=7.095

assign ( resid 5 and name HN
	 )
       ( resid 4 and name HN
	 ) 3.6 1.4 1.6 volume=44405846.000 peak=53 ppm1=8.023 ppm2=8.180

assign ( resid 11 and name HN
	 )
       ( resid 11 and name HD1
	 ) 3.2 1.3 1.4 volume=79431075.500 peak=55 ppm1=7.952 ppm2=7.219

assign ( resid 14 and name HD#
	 )
       ( resid 16 and name HA
	 ) 3.6 1.5 1.6 volume=37865980.000 peak=57 ppm1=7.108 ppm2=4.129

assign ( resid 5 and name HA
	 )
       ( resid 6 and name HB1
	 ) 4.4 1.8 1.6 volume=11604094.938 peak=58 ppm1=5.448 ppm2=2.728

assign ( resid 5 and name HA
	 )
       ( resid 6 and name HB2
	 ) 4.4 1.7 1.6 volume=13019972.438 peak=59 ppm1=5.447 ppm2=2.683

assign ( resid 7 and name HA
	 )
       ( resid 6 and name HB1
	 ) 3.4 1.4 1.5 volume=57596626.000 peak=60 ppm1=5.567 ppm2=2.722

assign ( resid 7 and name HE#
	 )
       ( resid 7 and name HB2
	 ) 3.4 1.4 1.7 volume=58277150.500 peak=63 ppm1=6.586 ppm2=2.721

assign ( resid 7 and name HD#
	 )
       ( resid 7 and name HB2
	 ) 2.7 1.0 1.2 volume=231767008.000 peak=64 ppm1=6.920 ppm2=2.721

assign ( resid 14 and name HD#
	 )
       ( resid 16 and name HB
	 ) 4.0 1.6 1.8 volume=21143346.125 peak=65 ppm1=7.105 ppm2=2.198

assign ( resid 16 and name HN
	 )
       ( resid 16 and name HB
	 ) 4.2 1.7 1.8 volume=15921611.455 peak=66 ppm1=8.355 ppm2=2.198

assign ( resid 16 and name HA
	 )
       ( resid 16 and name HB
	 ) 2.8 1.1 1.2 volume=186822396.000 peak=67 ppm1=4.131 ppm2=2.203

assign ( resid 6 and name HN
	 )
       ( resid 6 and name HB1
	 ) 3.8 1.5 1.7 volume=31346307.750 peak=68 ppm1=9.349 ppm2=2.714

assign ( resid 6 and name HN
	 )
       ( resid 6 and name HB2
	 ) 3.8 1.5 1.7 volume=31397603.000 peak=69 ppm1=9.347 ppm2=2.700

assign ( resid 12 and name HN
	 )
       ( resid 12 and name HB
	 ) 3.8 1.5 1.7 volume=27579797.750 peak=70 ppm1=9.387 ppm2=2.678

assign ( resid 8 and name HN
	 )
       ( resid 8 and name HA
	 ) 3.4 1.4 1.5 volume=55965591.000 peak=72 ppm1=8.828 ppm2=4.255

assign ( resid 9 and name HN
	 )
       ( resid 9 and name HB2
	 ) 4.1 1.6 1.8 volume=19236118.125 peak=75 ppm1=9.129 ppm2=1.983

assign ( resid 9 and name HN
	 )
       ( resid 9 and name HB1
	 ) 3.5 1.4 1.5 volume=48213130.750 peak=76 ppm1=9.128 ppm2=1.715

assign ( resid 6 and name HN
	 )
       ( resid 5 and name HG
	 ) 4.3 1.7 1.7 volume=13747591.015 peak=77 ppm1=9.348 ppm2=1.523

assign ( resid 9 and name HN
	 )
       ( resid 9 and name HG2
	 ) 5.9 2.3 0.1 volume=2182942.625 peak=78 ppm1=9.127 ppm2=1.550

assign ( resid 12 and name HN
	 )
       ( resid 12 and name HG12
	 ) 4.0 1.6 1.7 volume=23344981.941 peak=79 ppm1=9.381 ppm2=0.922

assign ( resid 6 and name HN
	 )
       ( resid 5 and name HD2#
	 ) 4.5 1.8 1.5 volume=10928161.562 peak=80 ppm1=9.347 ppm2=0.810

assign ( resid 16 and name HN
	 )
       ( resid 16 and name HG2#
	 ) 3.2 1.3 1.4 volume=84307602.500 peak=82 ppm1=8.354 ppm2=0.901

assign ( resid 16 and name HN
	 )
       ( resid 16 and name HG1#
	 ) 4.2 1.7 1.8 volume=17159076.000 peak=83 ppm1=8.357 ppm2=0.403

assign ( resid 17 and name HN
	 )
       ( resid 16 and name HG2#
	 ) 3.3 1.3 1.4 volume=73089913.500 peak=84 ppm1=8.184 ppm2=0.900

assign ( resid 17 and name HN
	 )
       ( resid 16 and name HG1#
	 ) 3.7 1.5 1.6 volume=33076978.000 peak=85 ppm1=8.182 ppm2=0.400

assign ( resid 15 and name HN
	 )
       ( resid 16 and name HG1#
	 ) 3.4 1.4 1.5 volume=56484688.500 peak=86 ppm1=8.223 ppm2=0.402

assign ( resid 4 and name HN
	 )
       ( resid 4 and name HG2
	 ) 3.4 1.4 1.5 volume=57429116.500 peak=87 ppm1=8.183 ppm2=1.501

assign ( resid 4 and name HN
	 )
       ( resid 4 and name HG1
	 ) 3.2 1.3 1.4 volume=91032212.000 peak=88 ppm1=8.183 ppm2=1.616

assign ( resid 4 and name HN
	 )
       ( resid 4 and name HB1
	 ) 3.5 1.4 1.5 volume=48138593.500 peak=90 ppm1=8.184 ppm2=1.808

assign ( resid 4 and name HN
	 )
       ( resid 4 and name HB2
	 ) 3.7 1.5 1.6 volume=35994969.000 peak=91 ppm1=8.185 ppm2=1.721

assign ( resid 15 and name HN
	 )
       ( resid 14 and name HE#
	 ) 3.9 1.6 1.7 volume=25059235.000 peak=94 ppm1=8.222 ppm2=6.981

assign ( resid 15 and name HN
	 )
       ( resid 14 and name HD#
	 ) 3.6 1.4 1.6 volume=44152676.250 peak=95 ppm1=8.225 ppm2=7.104

assign ( resid 17 and name HN
	 )
       ( resid 18 and name HN
	 ) 3.4 1.3 1.5 volume=62916159.000 peak=96 ppm1=8.184 ppm2=7.728

assign ( resid 11 and name HE1
	 )
       ( resid 11 and name HH2
	 ) 3.7 1.5 1.6 volume=36996787.000 peak=97 ppm1=10.214 ppm2=6.889

assign ( resid 7 and name HD#
	 )
       ( resid 7 and name HA
	 ) 2.9 1.2 1.3 volume=157273282.000 peak=100 ppm1=6.920 ppm2=5.567

assign ( resid 7 and name HE#
	 )
       ( resid 7 and name HA
	 ) 3.5 1.4 1.6 volume=45530594.500 peak=101 ppm1=6.587 ppm2=5.568

assign ( resid 7 and name HE#
	 )
       ( resid 6 and name HA
	 ) 3.7 1.5 1.6 volume=36380513.000 peak=104 ppm1=6.586 ppm2=4.823

assign ( resid 7 and name HD#
	 )
       ( resid 6 and name HA
	 ) 3.0 1.2 1.3 volume=117440633.000 peak=106 ppm1=6.920 ppm2=4.823

assign ( resid 14 and name HD#
	 )
       ( resid 12 and name HG12
	 ) 3.2 1.0 1.2 volume=227947512.000 peak=108 ppm1=7.108 ppm2=0.917

assign ( resid 14 and name HE#
	 )
       ( resid 12 and name HG12
	 ) 3.3 1.3 1.4 volume=74059984.000 peak=109 ppm1=7.008 ppm2=0.924

assign ( resid 14 and name HD#
	 )
       ( resid 16 and name HG1#
	 ) 4.1 1.7 1.8 volume=17447871.500 peak=112 ppm1=7.109 ppm2=0.399

assign ( resid 8 and name HN
	 )
       ( resid 8 and name HB1
	 ) 3.6 1.4 1.6 volume=40738835.000 peak=117 ppm1=8.830 ppm2=2.375

assign ( resid 8 and name HN
	 )
       ( resid 8 and name HB2
	 ) 3.6 1.4 1.6 volume=42395263.000 peak=118 ppm1=8.828 ppm2=2.592

assign ( resid 7 and name HN
	 )
       ( resid 7 and name HB2
	 ) 2.9 1.2 1.3 volume=135418823.000 peak=119 ppm1=8.808 ppm2=2.716

assign ( resid 17 and name HN
	 )
       ( resid 16 and name HB
	 ) 3.8 1.5 1.7 volume=30086160.500 peak=120 ppm1=8.184 ppm2=2.201

assign ( resid 6 and name HN
	 )
       ( resid 7 and name HN
	 ) 4.0 1.6 1.7 volume=23009617.250 peak=122 ppm1=9.345 ppm2=8.812

assign ( resid 14 and name HN
	 )
       ( resid 13 and name HN
	 ) 4.1 1.6 1.8 volume=18923196.125 peak=124 ppm1=9.813 ppm2=8.906

assign ( resid 14 and name HN
	 )
       ( resid 15 and name HN
	 ) 4.1 1.6 1.8 volume=19591017.875 peak=127 ppm1=9.803 ppm2=8.219


assign ( resid 2 and name HN
	 )
       ( resid 3 and name HN
	 ) 3.7 1.5 1.6 volume=34405417.500 peak=131 ppm1=8.741 ppm2=8.317

assign ( resid 16 and name HN
	 )
       ( resid 17 and name HN
	 ) 3.1 1.2 1.4 volume=102316901.000 peak=132 ppm1=8.355 ppm2=8.180


assign ( resid 5 and name HN
	 )
       ( resid 5 and name HA
	 ) 3.6 1.4 1.6 volume=39624694.000 peak=139 ppm1=8.023 ppm2=5.449

assign ( resid 5 and name HA
	 )
       ( resid 5 and name HG
	 ) 3.4 1.4 1.5 volume=59681390.250 peak=140 ppm1=5.452 ppm2=1.522

assign ( resid 5 and name HA
	 )
       ( resid 5 and name HB2
	 ) 4.7 1.9 1.3 volume=8583828.867 peak=141 ppm1=5.449 ppm2=1.646

assign ( resid 18 and name HN
	 )
       ( resid 18 and name HG2
	 ) 3.8 1.5 1.7 volume=29622408.188 peak=142 ppm1=7.728 ppm2=1.480

assign ( resid 18 and name HN
	 )
       ( resid 18 and name HB2
	 ) 3.8 1.5 1.7 volume=30298775.750 peak=143 ppm1=7.728 ppm2=1.738

assign ( resid 18 and name HN
	 )
       ( resid 18 and name HB1
	 ) 4.0 1.6 1.8 volume=20380500.010 peak=144 ppm1=7.728 ppm2=1.584

assign ( resid 5 and name HA
	 )
       ( resid 5 and name HD2#
	 ) 3.5 1.4 1.6 volume=45950289.250 peak=145 ppm1=5.450 ppm2=0.811

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           HT1      ARG   1   0.554  -0.895 -11.537
    2    H2   ARG   1           HT2      ARG   1  -0.905  -1.304 -12.277
    3    H3   ARG   1           HT3      ARG   1   0.227  -2.507 -11.928
    4    HA   ARG   1           HA       ARG   1  -1.332  -0.900 -10.002
    5    HB2  ARG   1           HB2      ARG   1  -1.318  -3.849 -10.658
    6    HB3  ARG   1           HB1      ARG   1  -2.183  -3.142  -9.301
    7    HG2  ARG   1           HG2      ARG   1  -3.552  -1.837 -10.819
    8    HG3  ARG   1           HG1      ARG   1  -2.658  -2.476 -12.199
    9    HD2  ARG   1           HD2      ARG   1  -3.433  -4.718 -11.693
   10    HD3  ARG   1           HD1      ARG   1  -4.258  -4.129 -10.250
   11    HE   ARG   1           HE       ARG   1  -5.316  -2.652 -12.289
   12   HH11  ARG   1          HH11      ARG   1  -4.986  -6.074 -11.650
   13   HH12  ARG   1          HH12      ARG   1  -6.450  -6.506 -12.471
   14   HH21  ARG   1          HH21      ARG   1  -7.260  -3.217 -13.373
   15   HH22  ARG   1          HH22      ARG   1  -7.745  -4.880 -13.444
   16    H    GLY   2           HN       GLY   2   1.466  -2.934 -10.529
   17    HA2  GLY   2           HA2      GLY   2   3.383  -2.962  -9.218
   18    HA3  GLY   2           HA1      GLY   2   2.522  -2.062  -7.979
   19    H    GLY   3           HN       GLY   3   0.624  -3.433  -7.018
   20    HA2  GLY   3           HA2      GLY   3   0.385  -6.091  -6.823
   21    HA3  GLY   3           HA1      GLY   3   1.881  -5.821  -5.936
   22    H    ARG   4           HN       ARG   4   1.615  -3.795  -4.404
   23    HA   ARG   4           HA       ARG   4  -0.991  -3.959  -3.057
   24    HB2  ARG   4           HB2      ARG   4   0.186  -3.736  -0.881
   25    HB3  ARG   4           HB1      ARG   4   0.550  -5.241  -1.708
   26    HG2  ARG   4           HG2      ARG   4   2.683  -4.317  -2.458
   27    HG3  ARG   4           HG1      ARG   4   2.316  -2.804  -1.629
   28    HD2  ARG   4           HD2      ARG   4   3.789  -4.130  -0.257
   29    HD3  ARG   4           HD1      ARG   4   2.202  -4.039   0.503
   30    HE   ARG   4           HE       ARG   4   2.140  -6.347  -0.961
   31   HH11  ARG   4          HH11      ARG   4   4.220  -5.073   1.550
   32   HH12  ARG   4          HH12      ARG   4   4.599  -6.633   2.204
   33   HH21  ARG   4          HH21      ARG   4   2.644  -8.411  -0.091
   34   HH22  ARG   4          HH22      ARG   4   3.708  -8.526   1.272
   35    H    LEU   5           HN       LEU   5  -1.891  -2.053  -2.560
   36    HA   LEU   5           HA       LEU   5  -0.273   0.361  -3.049
   37    HB2  LEU   5           HB2      LEU   5  -3.219  -0.073  -3.558
   38    HB3  LEU   5           HB1      LEU   5  -2.377   1.450  -3.767
   39    HG   LEU   5           HG       LEU   5  -1.822  -1.069  -5.338
   40   HD11  LEU   5          HD11      LEU   5  -3.998  -0.096  -5.866
   41   HD12  LEU   5          HD12      LEU   5  -2.860   0.104  -7.197
   42   HD13  LEU   5          HD13      LEU   5  -3.233   1.468  -6.144
   43   HD21  LEU   5          HD21      LEU   5   0.162   0.309  -5.102
   44   HD22  LEU   5          HD22      LEU   5  -0.742   1.734  -5.617
   45   HD23  LEU   5          HD23      LEU   5  -0.461   0.411  -6.749
   46    H    CYS   6           HN       CYS   6   0.013   1.579  -1.310
   47    HA   CYS   6           HA       CYS   6  -1.910   1.302   0.900
   48    HB2  CYS   6           HB2      CYS   6   0.947   2.246   1.141
   49    HB3  CYS   6           HB1      CYS   6  -0.139   1.771   2.437
   50    H    TYR   7           HN       TYR   7  -3.137   3.015   1.264
   51    HA   TYR   7           HA       TYR   7  -2.198   5.636   0.304
   52    HB2  TYR   7           HB2      TYR   7  -5.038   4.623   0.555
   53    HB3  TYR   7           HB1      TYR   7  -4.581   6.247   0.052
   54    HD1  TYR   7           HD1      TYR   7  -3.174   6.471  -2.077
   55    HD2  TYR   7           HD2      TYR   7  -5.240   2.907  -1.016
   56    HE1  TYR   7           HE1      TYR   7  -3.078   5.726  -4.417
   57    HE2  TYR   7           HE2      TYR   7  -5.148   2.151  -3.354
   58    HH   TYR   7           HH       TYR   7  -3.162   3.599  -5.679
   59    H    CYS   8           HN       CYS   8  -1.740   7.023   1.858
   60    HA   CYS   8           HA       CYS   8  -3.029   6.681   4.477
   61    HB2  CYS   8           HB2      CYS   8  -0.525   8.253   3.852
   62    HB3  CYS   8           HB1      CYS   8  -1.150   7.847   5.442
   63    H    ARG   9           HN       ARG   9  -4.494   8.153   5.072
   64    HA   ARG   9           HA       ARG   9  -4.476  10.745   3.675
   65    HB2  ARG   9           HB2      ARG   9  -6.257   9.065   2.917
   66    HB3  ARG   9           HB1      ARG   9  -6.991   9.303   4.496
   67    HG2  ARG   9           HG2      ARG   9  -8.097  10.704   2.896
   68    HG3  ARG   9           HG1      ARG   9  -7.173  11.722   4.004
   69    HD2  ARG   9           HD2      ARG   9  -6.945  12.434   1.655
   70    HD3  ARG   9           HD1      ARG   9  -5.406  11.960   2.369
   71    HE   ARG   9           HE       ARG   9  -6.907  10.012   0.771
   72   HH11  ARG   9          HH11      ARG   9  -4.113  12.092   1.141
   73   HH12  ARG   9          HH12      ARG   9  -3.203  11.305  -0.104
   74   HH21  ARG   9          HH21      ARG   9  -5.712   8.980  -0.876
   75   HH22  ARG   9          HH22      ARG   9  -4.117   9.543  -1.263
   76    H    GLY  10           HN       GLY  10  -3.412  11.667   5.477
   77    HA2  GLY  10           HA2      GLY  10  -3.636  13.111   7.285
   78    HA3  GLY  10           HA1      GLY  10  -5.262  12.494   7.549
   79    H    TRP  11           HN       TRP  11  -5.567  11.191   9.244
   80    HA   TRP  11           HA       TRP  11  -3.159  10.074  10.523
   81    HB2  TRP  11           HB2      TRP  11  -5.819  10.851  11.733
   82    HB3  TRP  11           HB1      TRP  11  -4.525  10.047  12.615
   83    HD1  TRP  11           HD1      TRP  11  -5.705  13.433  11.558
   84    HE1  TRP  11           HE1      TRP  11  -4.003  15.225  12.280
   85    HE3  TRP  11           HE3      TRP  11  -1.836  10.378  12.913
   86    HZ2  TRP  11           HZ2      TRP  11  -1.376  15.327  13.293
   87    HZ3  TRP  11           HZ3      TRP  11   0.238  11.404  13.750
   88    HH2  TRP  11           HH2      TRP  11   0.461  13.829  13.935
   89    H    ILE  12           HN       ILE  12  -5.012   8.988   8.376
   90    HA   ILE  12           HA       ILE  12  -5.209   6.330   9.575
   91    HB   ILE  12           HB       ILE  12  -7.483   7.054   9.667
   92   HG12  ILE  12          HG12      ILE  12  -7.123   5.371   7.177
   93   HG13  ILE  12          HG11      ILE  12  -7.126   4.762   8.830
   94   HG21  ILE  12          HG21      ILE  12  -7.196   7.903   6.792
   95   HG22  ILE  12          HG22      ILE  12  -7.359   8.966   8.189
   96   HG23  ILE  12          HG23      ILE  12  -8.697   7.918   7.719
   97   HD11  ILE  12          HD11      ILE  12  -9.251   4.355   7.743
   98   HD12  ILE  12          HD12      ILE  12  -9.438   6.079   7.423
   99   HD13  ILE  12          HD13      ILE  12  -9.446   5.485   9.082
  100    H    CYS  13           HN       CYS  13  -4.275   4.825   8.325
  101    HA   CYS  13           HA       CYS  13  -4.033   5.370   5.458
  102    HB2  CYS  13           HB2      CYS  13  -1.907   6.015   6.556
  103    HB3  CYS  13           HB1      CYS  13  -1.763   4.378   7.189
  104    H    PHE  14           HN       PHE  14  -4.590   3.735   4.237
  105    HA   PHE  14           HA       PHE  14  -4.708   1.045   5.434
  106    HB2  PHE  14           HB2      PHE  14  -6.757   0.627   4.145
  107    HB3  PHE  14           HB1      PHE  14  -6.973   1.991   5.236
  108    HD1  PHE  14           HD1      PHE  14  -6.804   0.907   1.778
  109    HD2  PHE  14           HD2      PHE  14  -7.097   4.272   4.363
  110    HE1  PHE  14           HE1      PHE  14  -7.509   2.293  -0.119
  111    HE2  PHE  14           HE2      PHE  14  -7.808   5.670   2.473
  112    HZ   PHE  14           HZ       PHE  14  -8.017   4.683   0.224
  113    H    CYS  15           HN       CYS  15  -4.391  -0.704   3.934
  114    HA   CYS  15           HA       CYS  15  -3.266   0.071   1.354
  115    HB2  CYS  15           HB2      CYS  15  -1.414  -0.078   3.046
  116    HB3  CYS  15           HB1      CYS  15  -1.822  -1.777   3.261
  117    H    VAL  16           HN       VAL  16  -3.733  -1.319  -0.254
  118    HA   VAL  16           HA       VAL  16  -5.092  -3.819   0.518
  119    HB   VAL  16           HB       VAL  16  -6.521  -3.566  -1.490
  120   HG11  VAL  16          HG11      VAL  16  -6.649  -1.267   0.459
  121   HG12  VAL  16          HG12      VAL  16  -7.352  -2.868   0.686
  122   HG13  VAL  16          HG13      VAL  16  -7.968  -1.807  -0.579
  123   HG21  VAL  16          HG21      VAL  16  -5.286  -0.815  -1.666
  124   HG22  VAL  16          HG22      VAL  16  -6.662  -1.388  -2.611
  125   HG23  VAL  16          HG23      VAL  16  -5.074  -2.127  -2.829
  126    H    GLY  17           HN       GLY  17  -4.581  -5.648  -0.542
  127    HA2  GLY  17           HA2      GLY  17  -2.531  -5.446  -2.658
  128    HA3  GLY  17           HA1      GLY  17  -2.585  -6.739  -1.466
  129    H    ARG  18           HN       ARG  18  -2.631  -6.923  -4.385
  130    HA   ARG  18           HA       ARG  18  -5.309  -8.093  -4.755
  131    HB2  ARG  18           HB2      ARG  18  -3.473  -6.930  -6.853
  132    HB3  ARG  18           HB1      ARG  18  -5.032  -7.681  -7.167
  133    HG2  ARG  18           HG2      ARG  18  -4.568  -5.180  -5.560
  134    HG3  ARG  18           HG1      ARG  18  -5.193  -5.256  -7.205
  135    HD2  ARG  18           HD2      ARG  18  -7.126  -6.536  -6.392
  136    HD3  ARG  18           HD1      ARG  18  -6.499  -6.418  -4.749
  137    HE   ARG  18           HE       ARG  18  -7.049  -3.950  -6.226
  138   HH11  ARG  18          HH11      ARG  18  -7.919  -6.175  -3.664
  139   HH12  ARG  18          HH12      ARG  18  -8.946  -5.037  -2.852
  140   HH21  ARG  18          HH21      ARG  18  -8.411  -2.459  -5.175
  141   HH22  ARG  18          HH22      ARG  18  -9.233  -2.920  -3.720
  Start of MODEL    2
    1    H1   ARG   1           HT1      ARG   1   8.169  -2.040  -7.975
    2    H2   ARG   1           HT2      ARG   1   8.440  -2.809  -9.454
    3    H3   ARG   1           HT3      ARG   1   8.329  -3.720  -8.036
    4    HA   ARG   1           HA       ARG   1   6.132  -2.113  -9.187
    5    HB2  ARG   1           HB2      ARG   1   6.466  -5.120  -9.129
    6    HB3  ARG   1           HB1      ARG   1   5.109  -4.238  -9.806
    7    HG2  ARG   1           HG2      ARG   1   6.706  -3.215 -11.441
    8    HG3  ARG   1           HG1      ARG   1   7.931  -4.332 -10.834
    9    HD2  ARG   1           HD2      ARG   1   6.967  -5.312 -12.783
   10    HD3  ARG   1           HD1      ARG   1   6.374  -6.209 -11.387
   11    HE   ARG   1           HE       ARG   1   4.808  -4.187 -12.863
   12   HH11  ARG   1          HH11      ARG   1   4.982  -7.118 -10.940
   13   HH12  ARG   1          HH12      ARG   1   3.284  -7.446 -11.074
   14   HH21  ARG   1          HH21      ARG   1   2.578  -4.615 -13.018
   15   HH22  ARG   1          HH22      ARG   1   1.914  -6.018 -12.245
   16    H    GLY   2           HN       GLY   2   4.012  -3.157  -8.238
   17    HA2  GLY   2           HA2      GLY   2   4.367  -4.023  -5.475
   18    HA3  GLY   2           HA1      GLY   2   3.523  -2.504  -5.732
   19    H    GLY   3           HN       GLY   3   2.752  -5.307  -4.755
   20    HA2  GLY   3           HA2      GLY   3   0.697  -6.053  -6.670
   21    HA3  GLY   3           HA1      GLY   3   1.040  -6.852  -5.141
   22    H    ARG   4           HN       ARG   4   0.969  -4.411  -3.606
   23    HA   ARG   4           HA       ARG   4  -1.898  -3.771  -3.763
   24    HB2  ARG   4           HB2      ARG   4  -1.865  -3.515  -1.292
   25    HB3  ARG   4           HB1      ARG   4  -1.542  -5.159  -1.819
   26    HG2  ARG   4           HG2      ARG   4   0.832  -4.844  -1.428
   27    HG3  ARG   4           HG1      ARG   4   0.544  -3.168  -0.952
   28    HD2  ARG   4           HD2      ARG   4   0.813  -4.680   0.980
   29    HD3  ARG   4           HD1      ARG   4  -0.766  -3.896   0.945
   30    HE   ARG   4           HE       ARG   4  -0.914  -6.395  -0.355
   31   HH11  ARG   4          HH11      ARG   4  -0.553  -5.043   2.850
   32   HH12  ARG   4          HH12      ARG   4  -1.343  -6.370   3.637
   33   HH21  ARG   4          HH21      ARG   4  -1.955  -8.148   0.681
   34   HH22  ARG   4          HH22      ARG   4  -2.143  -8.128   2.407
   35    H    LEU   5           HN       LEU   5  -2.507  -1.667  -3.157
   36    HA   LEU   5           HA       LEU   5  -0.310   0.286  -3.391
   37    HB2  LEU   5           HB2      LEU   5  -3.215   0.647  -4.146
   38    HB3  LEU   5           HB1      LEU   5  -1.922   1.804  -4.402
   39    HG   LEU   5           HG       LEU   5  -2.158  -0.889  -5.750
   40   HD11  LEU   5          HD11      LEU   5  -2.600   0.412  -7.770
   41   HD12  LEU   5          HD12      LEU   5  -2.579   1.897  -6.819
   42   HD13  LEU   5          HD13      LEU   5  -3.831   0.688  -6.539
   43   HD21  LEU   5          HD21      LEU   5  -0.168   1.339  -6.157
   44   HD22  LEU   5          HD22      LEU   5  -0.292  -0.126  -7.131
   45   HD23  LEU   5          HD23      LEU   5   0.166  -0.235  -5.432
   46    H    CYS   6           HN       CYS   6  -0.197   1.921  -1.902
   47    HA   CYS   6           HA       CYS   6  -2.019   1.623   0.386
   48    HB2  CYS   6           HB2      CYS   6   0.889   2.428   0.332
   49    HB3  CYS   6           HB1      CYS   6  -0.122   2.435   1.773
   50    H    TYR   7           HN       TYR   7  -3.018   3.352   1.199
   51    HA   TYR   7           HA       TYR   7  -2.256   6.009   0.185
   52    HB2  TYR   7           HB2      TYR   7  -5.097   5.051   0.604
   53    HB3  TYR   7           HB1      TYR   7  -4.600   6.619  -0.016
   54    HD1  TYR   7           HD1      TYR   7  -5.305   3.177  -0.820
   55    HD2  TYR   7           HD2      TYR   7  -3.518   6.753  -2.275
   56    HE1  TYR   7           HE1      TYR   7  -5.397   2.283  -3.106
   57    HE2  TYR   7           HE2      TYR   7  -3.607   5.868  -4.570
   58    HH   TYR   7           HH       TYR   7  -5.450   3.173  -5.425
   59    H    CYS   8           HN       CYS   8  -1.990   7.478   1.770
   60    HA   CYS   8           HA       CYS   8  -2.914   6.738   4.459
   61    HB2  CYS   8           HB2      CYS   8  -0.737   8.688   3.683
   62    HB3  CYS   8           HB1      CYS   8  -1.173   8.226   5.321
   63    H    ARG   9           HN       ARG   9  -4.584   7.836   5.231
   64    HA   ARG   9           HA       ARG   9  -5.204  10.442   4.009
   65    HB2  ARG   9           HB2      ARG   9  -6.635   8.560   3.191
   66    HB3  ARG   9           HB1      ARG   9  -7.198   8.328   4.839
   67    HG2  ARG   9           HG2      ARG   9  -8.138  10.589   4.829
   68    HG3  ARG   9           HG1      ARG   9  -7.590  10.799   3.164
   69    HD2  ARG   9           HD2      ARG   9  -8.965   8.861   2.504
   70    HD3  ARG   9           HD1      ARG   9  -9.559   8.745   4.158
   71    HE   ARG   9           HE       ARG   9 -10.037  11.341   3.238
   72   HH11  ARG   9          HH11      ARG   9 -11.076   8.071   2.566
   73   HH12  ARG   9          HH12      ARG   9 -12.662   8.538   2.047
   74   HH21  ARG   9          HH21      ARG   9 -12.119  11.974   2.541
   75   HH22  ARG   9          HH22      ARG   9 -13.250  10.768   2.017
   76    H    GLY  10           HN       GLY  10  -4.327  11.593   5.730
   77    HA2  GLY  10           HA2      GLY  10  -4.596  12.832   7.650
   78    HA3  GLY  10           HA1      GLY  10  -6.134  12.023   7.903
   79    H    TRP  11           HN       TRP  11  -6.269  10.406   9.366
   80    HA   TRP  11           HA       TRP  11  -3.851   9.946  10.956
   81    HB2  TRP  11           HB2      TRP  11  -5.400   9.290  12.760
   82    HB3  TRP  11           HB1      TRP  11  -5.728  10.915  12.169
   83    HD1  TRP  11           HD1      TRP  11  -7.279   7.462  12.447
   84    HE1  TRP  11           HE1      TRP  11  -9.750   7.584  11.726
   85    HE3  TRP  11           HE3      TRP  11  -7.343  12.219  10.568
   86    HZ2  TRP  11           HZ2      TRP  11 -11.481   9.448  10.523
   87    HZ3  TRP  11           HZ3      TRP  11  -9.450  13.092   9.650
   88    HH2  TRP  11           HH2      TRP  11 -11.476  11.734   9.629
   89    H    ILE  12           HN       ILE  12  -5.665   8.410   8.629
   90    HA   ILE  12           HA       ILE  12  -4.810   5.776   9.612
   91    HB   ILE  12           HB       ILE  12  -7.181   5.836   9.955
   92   HG12  ILE  12          HG12      ILE  12  -7.951   4.032   8.407
   93   HG13  ILE  12          HG11      ILE  12  -6.494   4.280   7.452
   94   HG21  ILE  12          HG21      ILE  12  -7.440   6.696   7.081
   95   HG22  ILE  12          HG22      ILE  12  -7.764   7.681   8.507
   96   HG23  ILE  12          HG23      ILE  12  -8.780   6.284   8.151
   97   HD11  ILE  12          HD11      ILE  12  -6.587   3.396  10.325
   98   HD12  ILE  12          HD12      ILE  12  -5.129   3.629   9.361
   99   HD13  ILE  12          HD13      ILE  12  -6.281   2.365   8.928
  100    H    CYS  13           HN       CYS  13  -3.565   4.704   8.260
  101    HA   CYS  13           HA       CYS  13  -3.720   5.347   5.397
  102    HB2  CYS  13           HB2      CYS  13  -1.601   6.136   6.451
  103    HB3  CYS  13           HB1      CYS  13  -1.251   4.476   6.919
  104    H    PHE  14           HN       PHE  14  -4.209   3.712   4.116
  105    HA   PHE  14           HA       PHE  14  -4.067   0.984   5.197
  106    HB2  PHE  14           HB2      PHE  14  -6.348   0.537   4.420
  107    HB3  PHE  14           HB1      PHE  14  -6.341   1.853   5.589
  108    HD1  PHE  14           HD1      PHE  14  -7.011   0.877   2.178
  109    HD2  PHE  14           HD2      PHE  14  -6.705   4.178   4.835
  110    HE1  PHE  14           HE1      PHE  14  -8.198   2.282   0.553
  111    HE2  PHE  14           HE2      PHE  14  -7.899   5.598   3.217
  112    HZ   PHE  14           HZ       PHE  14  -8.648   4.649   1.071
  113    H    CYS  15           HN       CYS  15  -4.089  -0.683   3.586
  114    HA   CYS  15           HA       CYS  15  -3.307   0.299   0.923
  115    HB2  CYS  15           HB2      CYS  15  -2.266  -2.201   2.256
  116    HB3  CYS  15           HB1      CYS  15  -1.733  -1.518   0.727
  117    H    VAL  16           HN       VAL  16  -4.228  -0.608  -0.821
  118    HA   VAL  16           HA       VAL  16  -6.118  -2.825  -0.351
  119    HB   VAL  16           HB       VAL  16  -7.401  -1.973  -2.310
  120   HG11  VAL  16          HG11      VAL  16  -8.070  -1.430  -0.012
  121   HG12  VAL  16          HG12      VAL  16  -8.481  -0.140  -1.142
  122   HG13  VAL  16          HG13      VAL  16  -7.082   0.030  -0.083
  123   HG21  VAL  16          HG21      VAL  16  -7.001   0.325  -3.080
  124   HG22  VAL  16          HG22      VAL  16  -5.629  -0.730  -3.415
  125   HG23  VAL  16          HG23      VAL  16  -5.560   0.404  -2.067
  126    H    GLY  17           HN       GLY  17  -6.268  -4.429  -1.966
  127    HA2  GLY  17           HA2      GLY  17  -4.570  -4.317  -4.292
  128    HA3  GLY  17           HA1      GLY  17  -4.007  -5.442  -3.064
  129    H    ARG  18           HN       ARG  18  -5.433  -5.505  -5.867
  130    HA   ARG  18           HA       ARG  18  -6.988  -7.879  -5.210
  131    HB2  ARG  18           HB2      ARG  18  -8.534  -5.862  -5.335
  132    HB3  ARG  18           HB1      ARG  18  -8.117  -5.756  -7.040
  133    HG2  ARG  18           HG2      ARG  18 -10.170  -6.916  -6.906
  134    HG3  ARG  18           HG1      ARG  18  -8.935  -8.120  -7.280
  135    HD2  ARG  18           HD2      ARG  18 -10.422  -8.993  -5.589
  136    HD3  ARG  18           HD1      ARG  18  -8.833  -8.708  -4.881
  137    HE   ARG  18           HE       ARG  18 -10.776  -6.568  -4.584
  138   HH11  ARG  18          HH11      ARG  18  -9.232  -9.359  -3.146
  139   HH12  ARG  18          HH12      ARG  18  -9.664  -8.921  -1.526
  140   HH21  ARG  18          HH21      ARG  18 -11.346  -5.988  -2.451
  141   HH22  ARG  18          HH22      ARG  18 -10.879  -7.014  -1.132
  Start of MODEL    3
    1    H1   ARG   1           HT1      ARG   1   1.215 -11.425  -8.354
    2    H2   ARG   1           HT2      ARG   1   1.465 -12.567  -9.573
    3    H3   ARG   1           HT3      ARG   1  -0.038 -12.462  -8.808
    4    HA   ARG   1           HA       ARG   1   1.186 -10.358 -10.486
    5    HB2  ARG   1           HB2      ARG   1   0.469 -12.279 -11.821
    6    HB3  ARG   1           HB1      ARG   1  -1.110 -12.244 -11.052
    7    HG2  ARG   1           HG2      ARG   1  -1.223 -11.268 -13.259
    8    HG3  ARG   1           HG1      ARG   1  -1.530 -10.037 -12.033
    9    HD2  ARG   1           HD2      ARG   1  -0.078  -9.137 -13.735
   10    HD3  ARG   1           HD1      ARG   1   0.819  -9.306 -12.230
   11    HE   ARG   1           HE       ARG   1   1.099 -11.581 -13.946
   12   HH11  ARG   1          HH11      ARG   1   2.267  -8.333 -13.363
   13   HH12  ARG   1          HH12      ARG   1   3.816  -8.625 -14.092
   14   HH21  ARG   1          HH21      ARG   1   3.132 -11.959 -14.916
   15   HH22  ARG   1          HH22      ARG   1   4.306 -10.683 -14.970
   16    H    GLY   2           HN       GLY   2   0.554  -8.432  -9.824
   17    HA2  GLY   2           HA2      GLY   2  -1.933  -7.404  -9.753
   18    HA3  GLY   2           HA1      GLY   2  -1.788  -8.122  -8.155
   19    H    GLY   3           HN       GLY   3  -0.205  -7.322  -6.709
   20    HA2  GLY   3           HA2      GLY   3   1.733  -5.682  -6.581
   21    HA3  GLY   3           HA1      GLY   3   0.623  -4.562  -7.358
   22    H    ARG   4           HN       ARG   4   0.806  -3.133  -5.572
   23    HA   ARG   4           HA       ARG   4  -1.230  -3.595  -3.630
   24    HB2  ARG   4           HB2      ARG   4   0.202  -3.265  -1.630
   25    HB3  ARG   4           HB1      ARG   4   0.491  -4.788  -2.454
   26    HG2  ARG   4           HG2      ARG   4   2.500  -3.833  -3.495
   27    HG3  ARG   4           HG1      ARG   4   2.214  -2.322  -2.624
   28    HD2  ARG   4           HD2      ARG   4   2.381  -3.521  -0.499
   29    HD3  ARG   4           HD1      ARG   4   2.679  -5.023  -1.370
   30    HE   ARG   4           HE       ARG   4   4.573  -3.043  -2.101
   31   HH11  ARG   4          HH11      ARG   4   3.716  -5.247   0.465
   32   HH12  ARG   4          HH12      ARG   4   5.328  -5.369   1.088
   33   HH21  ARG   4          HH21      ARG   4   6.727  -3.205  -1.292
   34   HH22  ARG   4          HH22      ARG   4   7.041  -4.217   0.082
   35    H    LEU   5           HN       LEU   5  -2.139  -1.757  -3.036
   36    HA   LEU   5           HA       LEU   5  -0.707   0.753  -3.637
   37    HB2  LEU   5           HB2      LEU   5  -3.682   0.221  -3.730
   38    HB3  LEU   5           HB1      LEU   5  -2.911   1.762  -4.055
   39    HG   LEU   5           HG       LEU   5  -2.527  -0.737  -5.708
   40   HD11  LEU   5          HD11      LEU   5  -3.901   0.380  -7.378
   41   HD12  LEU   5          HD12      LEU   5  -4.159   1.732  -6.277
   42   HD13  LEU   5          HD13      LEU   5  -4.806   0.140  -5.883
   43   HD21  LEU   5          HD21      LEU   5  -1.646   2.111  -6.158
   44   HD22  LEU   5          HD22      LEU   5  -1.471   0.789  -7.311
   45   HD23  LEU   5          HD23      LEU   5  -0.597   0.745  -5.779
   46    H    CYS   6           HN       CYS   6  -0.236   1.893  -1.868
   47    HA   CYS   6           HA       CYS   6  -1.827   1.378   0.555
   48    HB2  CYS   6           HB2      CYS   6   1.005   2.425   0.427
   49    HB3  CYS   6           HB1      CYS   6   0.131   1.906   1.861
   50    H    TYR   7           HN       TYR   7  -3.054   2.993   1.245
   51    HA   TYR   7           HA       TYR   7  -2.396   5.732   0.362
   52    HB2  TYR   7           HB2      TYR   7  -5.096   4.586   1.129
   53    HB3  TYR   7           HB1      TYR   7  -4.791   6.233   0.596
   54    HD1  TYR   7           HD1      TYR   7  -5.027   2.723  -0.461
   55    HD2  TYR   7           HD2      TYR   7  -4.460   6.743  -1.740
   56    HE1  TYR   7           HE1      TYR   7  -5.441   2.037  -2.786
   57    HE2  TYR   7           HE2      TYR   7  -4.871   6.064  -4.065
   58    HH   TYR   7           HH       TYR   7  -6.153   3.009  -4.888
   59    H    CYS   8           HN       CYS   8  -1.633   6.957   1.958
   60    HA   CYS   8           HA       CYS   8  -2.785   6.622   4.645
   61    HB2  CYS   8           HB2      CYS   8  -0.481   5.662   4.491
   62    HB3  CYS   8           HB1      CYS   8   0.109   7.250   4.026
   63    H    ARG   9           HN       ARG   9  -3.770   8.415   5.272
   64    HA   ARG   9           HA       ARG   9  -2.716  11.022   4.522
   65    HB2  ARG   9           HB2      ARG   9  -4.182  10.386   2.644
   66    HB3  ARG   9           HB1      ARG   9  -5.507  10.124   3.771
   67    HG2  ARG   9           HG2      ARG   9  -5.415  12.504   4.385
   68    HG3  ARG   9           HG1      ARG   9  -4.150  12.745   3.180
   69    HD2  ARG   9           HD2      ARG   9  -6.933  11.731   2.619
   70    HD3  ARG   9           HD1      ARG   9  -6.377  13.381   2.342
   71    HE   ARG   9           HE       ARG   9  -4.659  12.179   0.829
   72   HH11  ARG   9          HH11      ARG   9  -8.007  11.254   1.265
   73   HH12  ARG   9          HH12      ARG   9  -8.151  10.549  -0.313
   74   HH21  ARG   9          HH21      ARG   9  -4.846  11.264  -1.248
   75   HH22  ARG   9          HH22      ARG   9  -6.351  10.557  -1.746
   76    H    GLY  10           HN       GLY  10  -2.572  11.922   6.482
   77    HA2  GLY  10           HA2      GLY  10  -3.294  12.911   8.431
   78    HA3  GLY  10           HA1      GLY  10  -4.940  12.527   7.950
   79    H    TRP  11           HN       TRP  11  -5.988  11.018   9.075
   80    HA   TRP  11           HA       TRP  11  -4.392   9.368  10.918
   81    HB2  TRP  11           HB2      TRP  11  -7.222  10.385  11.233
   82    HB3  TRP  11           HB1      TRP  11  -6.394   9.329  12.374
   83    HD1  TRP  11           HD1      TRP  11  -6.934  12.921  11.590
   84    HE1  TRP  11           HE1      TRP  11  -5.439  14.398  13.078
   85    HE3  TRP  11           HE3      TRP  11  -3.858   9.306  13.483
   86    HZ2  TRP  11           HZ2      TRP  11  -3.244  14.069  14.821
   87    HZ3  TRP  11           HZ3      TRP  11  -2.079   9.972  15.049
   88    HH2  TRP  11           HH2      TRP  11  -1.779  12.305  15.702
   89    H    ILE  12           HN       ILE  12  -5.832   9.080   8.070
   90    HA   ILE  12           HA       ILE  12  -6.668   6.321   8.660
   91    HB   ILE  12           HB       ILE  12  -8.637   7.413   7.915
   92   HG12  ILE  12          HG12      ILE  12  -7.434   5.971   5.542
   93   HG13  ILE  12          HG11      ILE  12  -8.212   5.198   6.918
   94   HG21  ILE  12          HG21      ILE  12  -7.660   9.422   6.982
   95   HG22  ILE  12          HG22      ILE  12  -8.785   8.696   5.834
   96   HG23  ILE  12          HG23      ILE  12  -7.046   8.508   5.604
   97   HD11  ILE  12          HD11      ILE  12  -9.545   7.058   4.964
   98   HD12  ILE  12          HD12      ILE  12 -10.321   6.250   6.327
   99   HD13  ILE  12          HD13      ILE  12  -9.684   5.300   4.984
  100    H    CYS  13           HN       CYS  13  -5.325   4.870   7.916
  101    HA   CYS  13           HA       CYS  13  -4.005   5.269   5.352
  102    HB2  CYS  13           HB2      CYS  13  -2.473   4.541   7.862
  103    HB3  CYS  13           HB1      CYS  13  -1.806   4.687   6.239
  104    H    PHE  14           HN       PHE  14  -4.263   3.521   4.187
  105    HA   PHE  14           HA       PHE  14  -4.229   0.884   5.420
  106    HB2  PHE  14           HB2      PHE  14  -6.346   0.204   4.424
  107    HB3  PHE  14           HB1      PHE  14  -6.614   1.599   5.464
  108    HD1  PHE  14           HD1      PHE  14  -6.715   0.313   2.078
  109    HD2  PHE  14           HD2      PHE  14  -7.064   3.815   4.474
  110    HE1  PHE  14           HE1      PHE  14  -7.774   1.487   0.201
  111    HE2  PHE  14           HE2      PHE  14  -8.130   4.994   2.596
  112    HZ   PHE  14           HZ       PHE  14  -8.486   3.832   0.454
  113    H    CYS  15           HN       CYS  15  -3.817  -0.790   3.891
  114    HA   CYS  15           HA       CYS  15  -3.163   0.143   1.196
  115    HB2  CYS  15           HB2      CYS  15  -1.082   0.079   2.565
  116    HB3  CYS  15           HB1      CYS  15  -1.359  -1.637   2.847
  117    H    VAL  16           HN       VAL  16  -3.737  -1.202  -0.394
  118    HA   VAL  16           HA       VAL  16  -4.829  -3.820   0.407
  119    HB   VAL  16           HB       VAL  16  -6.268  -3.676  -1.625
  120   HG11  VAL  16          HG11      VAL  16  -7.863  -2.054  -0.691
  121   HG12  VAL  16          HG12      VAL  16  -6.599  -1.451   0.382
  122   HG13  VAL  16          HG13      VAL  16  -7.180  -3.108   0.547
  123   HG21  VAL  16          HG21      VAL  16  -5.301  -0.819  -1.738
  124   HG22  VAL  16          HG22      VAL  16  -6.589  -1.515  -2.721
  125   HG23  VAL  16          HG23      VAL  16  -4.930  -2.084  -2.910
  126    H    GLY  17           HN       GLY  17  -4.137  -5.614  -0.636
  127    HA2  GLY  17           HA2      GLY  17  -2.099  -5.186  -2.719
  128    HA3  GLY  17           HA1      GLY  17  -1.819  -6.269  -1.366
  129    H    ARG  18           HN       ARG  18  -1.823  -6.764  -4.239
  130    HA   ARG  18           HA       ARG  18  -3.820  -8.922  -4.260
  131    HB2  ARG  18           HB2      ARG  18  -2.855  -7.215  -6.560
  132    HB3  ARG  18           HB1      ARG  18  -3.741  -8.719  -6.781
  133    HG2  ARG  18           HG2      ARG  18  -5.648  -7.787  -5.590
  134    HG3  ARG  18           HG1      ARG  18  -4.754  -6.289  -5.318
  135    HD2  ARG  18           HD2      ARG  18  -5.396  -7.419  -8.036
  136    HD3  ARG  18           HD1      ARG  18  -6.363  -6.193  -7.218
  137    HE   ARG  18           HE       ARG  18  -4.030  -4.980  -7.204
  138   HH11  ARG  18          HH11      ARG  18  -5.465  -6.861  -9.791
  139   HH12  ARG  18          HH12      ARG  18  -4.750  -5.908 -11.051
  140   HH21  ARG  18          HH21      ARG  18  -3.069  -3.737  -8.859
  141   HH22  ARG  18          HH22      ARG  18  -3.371  -4.140 -10.519
  Start of MODEL    4
    1    H1   ARG   1           HT1      ARG   1   5.806  -3.659  -4.173
    2    H2   ARG   1           HT2      ARG   1   6.797  -3.451  -5.526
    3    H3   ARG   1           HT3      ARG   1   7.466  -3.428  -3.973
    4    HA   ARG   1           HA       ARG   1   7.940  -5.503  -5.048
    5    HB2  ARG   1           HB2      ARG   1   7.085  -7.008  -3.316
    6    HB3  ARG   1           HB1      ARG   1   7.665  -5.501  -2.627
    7    HG2  ARG   1           HG2      ARG   1   5.386  -4.707  -2.382
    8    HG3  ARG   1           HG1      ARG   1   4.775  -6.174  -3.146
    9    HD2  ARG   1           HD2      ARG   1   6.341  -6.060  -0.568
   10    HD3  ARG   1           HD1      ARG   1   4.595  -6.260  -0.695
   11    HE   ARG   1           HE       ARG   1   5.972  -8.250  -2.189
   12   HH11  ARG   1          HH11      ARG   1   5.071  -7.362   1.077
   13   HH12  ARG   1          HH12      ARG   1   5.078  -8.996   1.655
   14   HH21  ARG   1          HH21      ARG   1   5.988 -10.405  -1.419
   15   HH22  ARG   1          HH22      ARG   1   5.603 -10.722   0.242
   16    H    GLY   2           HN       GLY   2   4.733  -4.408  -5.554
   17    HA2  GLY   2           HA2      GLY   2   4.237  -5.980  -7.746
   18    HA3  GLY   2           HA1      GLY   2   3.627  -6.910  -6.388
   19    H    GLY   3           HN       GLY   3   1.475  -6.788  -6.679
   20    HA2  GLY   3           HA2      GLY   3   0.254  -4.274  -7.490
   21    HA3  GLY   3           HA1      GLY   3  -0.551  -5.828  -7.348
   22    H    ARG   4           HN       ARG   4   1.363  -4.040  -4.967
   23    HA   ARG   4           HA       ARG   4  -1.055  -3.864  -3.299
   24    HB2  ARG   4           HB2      ARG   4   1.807  -4.325  -2.434
   25    HB3  ARG   4           HB1      ARG   4   0.493  -3.957  -1.325
   26    HG2  ARG   4           HG2      ARG   4  -0.648  -5.995  -1.936
   27    HG3  ARG   4           HG1      ARG   4   0.577  -6.345  -3.157
   28    HD2  ARG   4           HD2      ARG   4   0.987  -7.670  -1.185
   29    HD3  ARG   4           HD1      ARG   4   2.273  -6.482  -1.378
   30    HE   ARG   4           HE       ARG   4   0.515  -5.264   0.300
   31   HH11  ARG   4          HH11      ARG   4   2.114  -8.378   0.328
   32   HH12  ARG   4          HH12      ARG   4   2.220  -8.453   2.057
   33   HH21  ARG   4          HH21      ARG   4   0.649  -5.360   2.580
   34   HH22  ARG   4          HH22      ARG   4   1.369  -6.746   3.340
   35    H    LEU   5           HN       LEU   5  -1.664  -1.884  -2.804
   36    HA   LEU   5           HA       LEU   5   0.325   0.286  -2.931
   37    HB2  LEU   5           HB2      LEU   5  -2.526   0.374  -3.935
   38    HB3  LEU   5           HB1      LEU   5  -1.440   1.747  -3.863
   39    HG   LEU   5           HG       LEU   5  -1.001  -0.708  -5.569
   40   HD11  LEU   5          HD11      LEU   5  -2.920   0.566  -6.342
   41   HD12  LEU   5          HD12      LEU   5  -1.560   0.764  -7.446
   42   HD13  LEU   5          HD13      LEU   5  -1.967   2.050  -6.312
   43   HD21  LEU   5          HD21      LEU   5   0.450   1.936  -5.468
   44   HD22  LEU   5          HD22      LEU   5   0.747   0.642  -6.628
   45   HD23  LEU   5          HD23      LEU   5   1.080   0.385  -4.916
   46    H    CYS   6           HN       CYS   6   0.403   1.437  -1.093
   47    HA   CYS   6           HA       CYS   6  -1.915   1.215   0.687
   48    HB2  CYS   6           HB2      CYS   6   0.259   0.154   1.461
   49    HB3  CYS   6           HB1      CYS   6   0.899   1.789   1.594
   50    H    TYR   7           HN       TYR   7  -2.853   2.991   1.482
   51    HA   TYR   7           HA       TYR   7  -1.723   5.567   0.619
   52    HB2  TYR   7           HB2      TYR   7  -4.626   4.727   0.609
   53    HB3  TYR   7           HB1      TYR   7  -4.040   6.343   0.241
   54    HD1  TYR   7           HD1      TYR   7  -4.709   3.062  -1.055
   55    HD2  TYR   7           HD2      TYR   7  -2.556   6.660  -1.778
   56    HE1  TYR   7           HE1      TYR   7  -4.471   2.437  -3.421
   57    HE2  TYR   7           HE2      TYR   7  -2.315   6.045  -4.146
   58    HH   TYR   7           HH       TYR   7  -2.328   3.985  -5.524
   59    H    CYS   8           HN       CYS   8  -1.470   7.011   2.180
   60    HA   CYS   8           HA       CYS   8  -2.883   6.584   4.722
   61    HB2  CYS   8           HB2      CYS   8  -0.348   8.162   4.239
   62    HB3  CYS   8           HB1      CYS   8  -1.083   7.818   5.798
   63    H    ARG   9           HN       ARG   9  -4.484   7.971   5.136
   64    HA   ARG   9           HA       ARG   9  -4.438  10.574   3.755
   65    HB2  ARG   9           HB2      ARG   9  -6.246   9.020   3.042
   66    HB3  ARG   9           HB1      ARG   9  -6.851   9.010   4.691
   67    HG2  ARG   9           HG2      ARG   9  -7.262  11.429   4.538
   68    HG3  ARG   9           HG1      ARG   9  -6.702  11.401   2.865
   69    HD2  ARG   9           HD2      ARG   9  -9.110  11.332   2.895
   70    HD3  ARG   9           HD1      ARG   9  -8.493   9.778   2.336
   71    HE   ARG   9           HE       ARG   9  -9.208  10.091   5.164
   72   HH11  ARG   9          HH11      ARG   9  -9.887   8.686   2.029
   73   HH12  ARG   9          HH12      ARG   9 -11.007   7.519   2.654
   74   HH21  ARG   9          HH21      ARG   9 -10.681   8.551   5.986
   75   HH22  ARG   9          HH22      ARG   9 -11.444   7.429   4.905
   76    H    GLY  10           HN       GLY  10  -3.311  11.613   5.421
   77    HA2  GLY  10           HA2      GLY  10  -3.294  13.064   7.205
   78    HA3  GLY  10           HA1      GLY  10  -5.009  12.752   7.407
   79    H    TRP  11           HN       TRP  11  -5.667  10.962   8.667
   80    HA   TRP  11           HA       TRP  11  -3.635  10.168  10.643
   81    HB2  TRP  11           HB2      TRP  11  -5.570   9.969  12.234
   82    HB3  TRP  11           HB1      TRP  11  -5.243  11.608  11.684
   83    HD1  TRP  11           HD1      TRP  11  -7.043  12.738  10.051
   84    HE1  TRP  11           HE1      TRP  11  -9.519  12.211   9.601
   85    HE3  TRP  11           HE3      TRP  11  -7.247   8.045  12.068
   86    HZ2  TRP  11           HZ2      TRP  11 -11.319  10.083  10.042
   87    HZ3  TRP  11           HZ3      TRP  11  -9.385   6.830  12.012
   88    HH2  TRP  11           HH2      TRP  11 -11.379   7.830  11.021
   89    H    ILE  12           HN       ILE  12  -5.812   9.048   8.286
   90    HA   ILE  12           HA       ILE  12  -5.754   6.339   9.439
   91    HB   ILE  12           HB       ILE  12  -8.025   7.011   9.309
   92   HG12  ILE  12          HG12      ILE  12  -7.423   5.329   6.866
   93   HG13  ILE  12          HG11      ILE  12  -7.580   4.727   8.511
   94   HG21  ILE  12          HG21      ILE  12  -7.794   8.932   7.853
   95   HG22  ILE  12          HG22      ILE  12  -9.080   7.876   7.268
   96   HG23  ILE  12          HG23      ILE  12  -7.506   7.876   6.470
   97   HD11  ILE  12          HD11      ILE  12  -9.752   6.018   6.881
   98   HD12  ILE  12          HD12      ILE  12  -9.917   5.447   8.540
   99   HD13  ILE  12          HD13      ILE  12  -9.591   4.300   7.240
  100    H    CYS  13           HN       CYS  13  -4.446   4.975   8.441
  101    HA   CYS  13           HA       CYS  13  -4.020   5.322   5.553
  102    HB2  CYS  13           HB2      CYS  13  -2.026   6.056   6.826
  103    HB3  CYS  13           HB1      CYS  13  -1.936   4.465   7.577
  104    H    PHE  14           HN       PHE  14  -4.375   3.587   4.350
  105    HA   PHE  14           HA       PHE  14  -4.407   0.944   5.617
  106    HB2  PHE  14           HB2      PHE  14  -6.551   0.382   4.619
  107    HB3  PHE  14           HB1      PHE  14  -6.736   1.820   5.619
  108    HD1  PHE  14           HD1      PHE  14  -7.045   0.414   2.332
  109    HD2  PHE  14           HD2      PHE  14  -6.883   4.066   4.510
  110    HE1  PHE  14           HE1      PHE  14  -8.011   1.598   0.411
  111    HE2  PHE  14           HE2      PHE  14  -7.852   5.257   2.590
  112    HZ   PHE  14           HZ       PHE  14  -8.417   4.023   0.535
  113    H    CYS  15           HN       CYS  15  -4.107  -0.792   4.134
  114    HA   CYS  15           HA       CYS  15  -2.902   0.092   1.607
  115    HB2  CYS  15           HB2      CYS  15  -2.150  -2.425   3.074
  116    HB3  CYS  15           HB1      CYS  15  -1.257  -1.606   1.799
  117    H    VAL  16           HN       VAL  16  -3.538  -0.861  -0.271
  118    HA   VAL  16           HA       VAL  16  -5.542  -3.004  -0.012
  119    HB   VAL  16           HB       VAL  16  -6.461  -2.245  -2.194
  120   HG11  VAL  16          HG11      VAL  16  -6.433  -0.164  -0.017
  121   HG12  VAL  16          HG12      VAL  16  -7.496  -1.567  -0.101
  122   HG13  VAL  16          HG13      VAL  16  -7.627  -0.290  -1.310
  123   HG21  VAL  16          HG21      VAL  16  -4.504  -1.098  -3.076
  124   HG22  VAL  16          HG22      VAL  16  -4.623   0.114  -1.801
  125   HG23  VAL  16          HG23      VAL  16  -5.890  -0.009  -3.021
  126    H    GLY  17           HN       GLY  17  -5.301  -4.841  -1.131
  127    HA2  GLY  17           HA2      GLY  17  -3.536  -5.063  -3.398
  128    HA3  GLY  17           HA1      GLY  17  -2.914  -5.838  -1.945
  129    H    ARG  18           HN       ARG  18  -3.829  -6.986  -4.531
  130    HA   ARG  18           HA       ARG  18  -5.584  -9.000  -3.397
  131    HB2  ARG  18           HB2      ARG  18  -7.094  -8.860  -5.432
  132    HB3  ARG  18           HB1      ARG  18  -7.260  -7.571  -4.252
  133    HG2  ARG  18           HG2      ARG  18  -5.849  -6.129  -5.680
  134    HG3  ARG  18           HG1      ARG  18  -5.800  -7.420  -6.882
  135    HD2  ARG  18           HD2      ARG  18  -7.495  -5.809  -7.491
  136    HD3  ARG  18           HD1      ARG  18  -8.259  -7.331  -7.033
  137    HE   ARG  18           HE       ARG  18  -8.043  -5.422  -4.881
  138   HH11  ARG  18          HH11      ARG  18  -9.998  -6.546  -7.554
  139   HH12  ARG  18          HH12      ARG  18 -11.475  -5.911  -6.908
  140   HH21  ARG  18          HH21      ARG  18  -9.987  -4.579  -4.024
  141   HH22  ARG  18          HH22      ARG  18 -11.472  -4.789  -4.897
  Start of MODEL    5
    1    H1   ARG   1           HT1      ARG   1   4.353 -10.388  -9.588
    2    H2   ARG   1           HT2      ARG   1   3.057  -9.587  -8.856
    3    H3   ARG   1           HT3      ARG   1   4.149 -10.467  -7.913
    4    HA   ARG   1           HA       ARG   1   5.914  -8.959  -8.416
    5    HB2  ARG   1           HB2      ARG   1   3.830  -7.442  -9.992
    6    HB3  ARG   1           HB1      ARG   1   5.480  -6.921  -9.702
    7    HG2  ARG   1           HG2      ARG   1   6.317  -8.809 -10.989
    8    HG3  ARG   1           HG1      ARG   1   4.663  -9.358 -11.266
    9    HD2  ARG   1           HD2      ARG   1   5.891  -6.769 -12.192
   10    HD3  ARG   1           HD1      ARG   1   5.444  -8.143 -13.200
   11    HE   ARG   1           HE       ARG   1   3.091  -7.602 -12.206
   12   HH11  ARG   1          HH11      ARG   1   5.535  -5.349 -13.294
   13   HH12  ARG   1          HH12      ARG   1   4.395  -4.098 -13.671
   14   HH21  ARG   1          HH21      ARG   1   1.586  -5.963 -12.693
   15   HH22  ARG   1          HH22      ARG   1   2.144  -4.443 -13.322
   16    H    GLY   2           HN       GLY   2   3.363  -9.336  -6.668
   17    HA2  GLY   2           HA2      GLY   2   3.174  -8.343  -4.509
   18    HA3  GLY   2           HA1      GLY   2   3.776  -6.835  -5.183
   19    H    GLY   3           HN       GLY   3   2.363  -5.664  -6.656
   20    HA2  GLY   3           HA2      GLY   3   0.345  -4.776  -7.279
   21    HA3  GLY   3           HA1      GLY   3  -0.358  -6.360  -6.996
   22    H    ARG   4           HN       ARG   4   1.217  -4.059  -4.786
   23    HA   ARG   4           HA       ARG   4  -1.350  -3.758  -3.400
   24    HB2  ARG   4           HB2      ARG   4  -0.250  -3.900  -1.221
   25    HB3  ARG   4           HB1      ARG   4  -0.032  -5.388  -2.129
   26    HG2  ARG   4           HG2      ARG   4   2.234  -4.829  -2.639
   27    HG3  ARG   4           HG1      ARG   4   2.038  -3.212  -1.963
   28    HD2  ARG   4           HD2      ARG   4   3.212  -4.594  -0.379
   29    HD3  ARG   4           HD1      ARG   4   1.608  -4.227   0.247
   30    HE   ARG   4           HE       ARG   4   1.743  -6.716  -1.177
   31   HH11  ARG   4          HH11      ARG   4   2.174  -5.166   1.930
   32   HH12  ARG   4          HH12      ARG   4   2.021  -6.642   2.827
   33   HH21  ARG   4          HH21      ARG   4   1.515  -8.656   0.009
   34   HH22  ARG   4          HH22      ARG   4   1.644  -8.624   1.738
   35    H    LEU   5           HN       LEU   5  -1.876  -1.718  -3.010
   36    HA   LEU   5           HA       LEU   5   0.256   0.319  -3.079
   37    HB2  LEU   5           HB2      LEU   5  -2.594   0.582  -4.052
   38    HB3  LEU   5           HB1      LEU   5  -1.408   1.874  -4.025
   39    HG   LEU   5           HG       LEU   5  -1.200  -0.642  -5.680
   40   HD11  LEU   5          HD11      LEU   5  -1.862   2.184  -6.485
   41   HD12  LEU   5          HD12      LEU   5  -2.979   0.821  -6.465
   42   HD13  LEU   5          HD13      LEU   5  -1.617   0.828  -7.584
   43   HD21  LEU   5          HD21      LEU   5   0.665   0.537  -6.773
   44   HD22  LEU   5          HD22      LEU   5   0.986   0.197  -5.074
   45   HD23  LEU   5          HD23      LEU   5   0.530   1.824  -5.576
   46    H    CYS   6           HN       CYS   6   0.414   1.522  -1.291
   47    HA   CYS   6           HA       CYS   6  -1.756   1.251   0.673
   48    HB2  CYS   6           HB2      CYS   6   1.109   1.893   1.321
   49    HB3  CYS   6           HB1      CYS   6  -0.146   1.325   2.410
   50    H    TYR   7           HN       TYR   7  -2.810   3.011   1.239
   51    HA   TYR   7           HA       TYR   7  -1.688   5.617   0.441
   52    HB2  TYR   7           HB2      TYR   7  -4.590   4.787   0.665
   53    HB3  TYR   7           HB1      TYR   7  -4.013   6.376   0.184
   54    HD1  TYR   7           HD1      TYR   7  -4.540   2.920  -0.868
   55    HD2  TYR   7           HD2      TYR   7  -3.022   6.723  -2.015
   56    HE1  TYR   7           HE1      TYR   7  -4.542   2.206  -3.223
   57    HE2  TYR   7           HE2      TYR   7  -3.021   6.019  -4.367
   58    HH   TYR   7           HH       TYR   7  -4.628   3.272  -5.468
   59    H    CYS   8           HN       CYS   8  -1.256   6.971   2.054
   60    HA   CYS   8           HA       CYS   8  -2.607   6.549   4.631
   61    HB2  CYS   8           HB2      CYS   8  -0.055   8.066   4.050
   62    HB3  CYS   8           HB1      CYS   8  -0.755   7.800   5.639
   63    H    ARG   9           HN       ARG   9  -4.132   7.956   5.169
   64    HA   ARG   9           HA       ARG   9  -4.116  10.613   3.908
   65    HB2  ARG   9           HB2      ARG   9  -5.616   9.109   2.658
   66    HB3  ARG   9           HB1      ARG   9  -6.494   8.759   4.137
   67    HG2  ARG   9           HG2      ARG   9  -7.155  11.118   4.284
   68    HG3  ARG   9           HG1      ARG   9  -6.311  11.431   2.765
   69    HD2  ARG   9           HD2      ARG   9  -8.693  11.127   2.374
   70    HD3  ARG   9           HD1      ARG   9  -7.771   9.822   1.631
   71    HE   ARG   9           HE       ARG   9  -9.050   9.473   4.263
   72   HH11  ARG   9          HH11      ARG   9  -8.638   8.474   0.926
   73   HH12  ARG   9          HH12      ARG   9  -9.531   7.001   1.127
   74   HH21  ARG   9          HH21      ARG   9 -10.231   7.534   4.518
   75   HH22  ARG   9          HH22      ARG   9 -10.451   6.475   3.161
   76    H    GLY  10           HN       GLY  10  -3.994  12.031   5.507
   77    HA2  GLY  10           HA2      GLY  10  -4.559  13.205   7.394
   78    HA3  GLY  10           HA1      GLY  10  -6.031  12.248   7.460
   79    H    TRP  11           HN       TRP  11  -6.256  10.899   9.099
   80    HA   TRP  11           HA       TRP  11  -3.934  10.501  10.846
   81    HB2  TRP  11           HB2      TRP  11  -5.551  10.182  12.652
   82    HB3  TRP  11           HB1      TRP  11  -5.850  11.704  11.824
   83    HD1  TRP  11           HD1      TRP  11  -7.527   8.549  12.863
   84    HE1  TRP  11           HE1      TRP  11  -9.936   8.473  11.962
   85    HE3  TRP  11           HE3      TRP  11  -7.306  12.484   9.602
   86    HZ2  TRP  11           HZ2      TRP  11 -11.531   9.896  10.126
   87    HZ3  TRP  11           HZ3      TRP  11  -9.321  13.058   8.311
   88    HH2  TRP  11           HH2      TRP  11 -11.390  11.787   8.570
   89    H    ILE  12           HN       ILE  12  -5.515   8.867   8.510
   90    HA   ILE  12           HA       ILE  12  -4.991   6.265   9.785
   91    HB   ILE  12           HB       ILE  12  -6.838   5.280   8.467
   92   HG12  ILE  12          HG12      ILE  12  -7.594   8.153   7.874
   93   HG13  ILE  12          HG11      ILE  12  -6.919   7.027   6.701
   94   HG21  ILE  12          HG21      ILE  12  -7.197   5.872  10.791
   95   HG22  ILE  12          HG22      ILE  12  -8.666   6.132   9.854
   96   HG23  ILE  12          HG23      ILE  12  -7.665   7.505  10.322
   97   HD11  ILE  12          HD11      ILE  12  -9.313   7.210   6.437
   98   HD12  ILE  12          HD12      ILE  12  -9.556   6.742   8.119
   99   HD13  ILE  12          HD13      ILE  12  -8.880   5.586   6.973
  100    H    CYS  13           HN       CYS  13  -4.228   4.612   8.412
  101    HA   CYS  13           HA       CYS  13  -3.743   5.340   5.626
  102    HB2  CYS  13           HB2      CYS  13  -1.646   5.832   6.856
  103    HB3  CYS  13           HB1      CYS  13  -1.596   4.160   7.403
  104    H    PHE  14           HN       PHE  14  -4.222   3.753   4.260
  105    HA   PHE  14           HA       PHE  14  -4.588   1.036   5.335
  106    HB2  PHE  14           HB2      PHE  14  -6.683   0.815   4.124
  107    HB3  PHE  14           HB1      PHE  14  -6.777   2.217   5.186
  108    HD1  PHE  14           HD1      PHE  14  -6.939   1.018   1.807
  109    HD2  PHE  14           HD2      PHE  14  -6.529   4.510   4.201
  110    HE1  PHE  14           HE1      PHE  14  -7.542   2.405  -0.126
  111    HE2  PHE  14           HE2      PHE  14  -7.140   5.908   2.271
  112    HZ   PHE  14           HZ       PHE  14  -7.646   4.855   0.102
  113    H    CYS  15           HN       CYS  15  -4.356  -0.655   3.756
  114    HA   CYS  15           HA       CYS  15  -3.127   0.251   1.251
  115    HB2  CYS  15           HB2      CYS  15  -1.386  -0.409   2.922
  116    HB3  CYS  15           HB1      CYS  15  -2.067  -2.030   2.921
  117    H    VAL  16           HN       VAL  16  -3.769  -0.749  -0.537
  118    HA   VAL  16           HA       VAL  16  -5.510  -3.113  -0.219
  119    HB   VAL  16           HB       VAL  16  -5.583  -1.065  -2.447
  120   HG11  VAL  16          HG11      VAL  16  -7.688  -2.146  -3.072
  121   HG12  VAL  16          HG12      VAL  16  -7.459  -3.334  -1.789
  122   HG13  VAL  16          HG13      VAL  16  -6.333  -3.274  -3.145
  123   HG21  VAL  16          HG21      VAL  16  -7.422  -1.397  -0.080
  124   HG22  VAL  16          HG22      VAL  16  -7.705  -0.317  -1.445
  125   HG23  VAL  16          HG23      VAL  16  -6.325  -0.050  -0.379
  126    H    GLY  17           HN       GLY  17  -4.654  -4.931  -0.978
  127    HA2  GLY  17           HA2      GLY  17  -3.255  -4.990  -3.494
  128    HA3  GLY  17           HA1      GLY  17  -2.214  -5.279  -2.107
  129    H    ARG  18           HN       ARG  18  -3.352  -6.937  -4.426
  130    HA   ARG  18           HA       ARG  18  -4.100  -9.237  -2.757
  131    HB2  ARG  18           HB2      ARG  18  -6.093  -8.248  -3.903
  132    HB3  ARG  18           HB1      ARG  18  -5.319  -8.574  -5.445
  133    HG2  ARG  18           HG2      ARG  18  -5.364 -10.964  -4.968
  134    HG3  ARG  18           HG1      ARG  18  -6.121 -10.640  -3.406
  135    HD2  ARG  18           HD2      ARG  18  -7.267 -10.027  -6.127
  136    HD3  ARG  18           HD1      ARG  18  -7.805 -11.289  -5.018
  137    HE   ARG  18           HE       ARG  18  -8.054  -9.025  -3.554
  138   HH11  ARG  18          HH11      ARG  18  -9.210  -9.965  -6.719
  139   HH12  ARG  18          HH12      ARG  18 -10.627  -8.969  -6.639
  140   HH21  ARG  18          HH21      ARG  18  -9.908  -7.702  -3.452
  141   HH22  ARG  18          HH22      ARG  18 -11.027  -7.689  -4.778
  Start of MODEL    6
    1    H1   ARG   1           HT1      ARG   1   2.863  -2.671  -4.124
    2    H2   ARG   1           HT2      ARG   1   4.419  -2.909  -3.509
    3    H3   ARG   1           HT3      ARG   1   3.617  -4.178  -4.284
    4    HA   ARG   1           HA       ARG   1   4.471  -1.653  -5.565
    5    HB2  ARG   1           HB2      ARG   1   5.588  -4.453  -5.770
    6    HB3  ARG   1           HB1      ARG   1   6.071  -3.107  -6.788
    7    HG2  ARG   1           HG2      ARG   1   6.921  -1.926  -4.833
    8    HG3  ARG   1           HG1      ARG   1   6.427  -3.274  -3.806
    9    HD2  ARG   1           HD2      ARG   1   8.795  -3.427  -4.313
   10    HD3  ARG   1           HD1      ARG   1   7.922  -4.760  -5.063
   11    HE   ARG   1           HE       ARG   1   8.533  -2.377  -6.658
   12   HH11  ARG   1          HH11      ARG   1   9.024  -5.781  -6.010
   13   HH12  ARG   1          HH12      ARG   1   9.872  -6.072  -7.494
   14   HH21  ARG   1          HH21      ARG   1   9.656  -2.754  -8.607
   15   HH22  ARG   1          HH22      ARG   1  10.231  -4.351  -8.970
   16    H    GLY   2           HN       GLY   2   2.927  -1.190  -7.027
   17    HA2  GLY   2           HA2      GLY   2   1.680  -1.448  -8.950
   18    HA3  GLY   2           HA1      GLY   2   2.363  -3.057  -9.124
   19    H    GLY   3           HN       GLY   3   1.444  -4.765  -7.748
   20    HA2  GLY   3           HA2      GLY   3  -1.412  -4.725  -7.878
   21    HA3  GLY   3           HA1      GLY   3  -0.418  -6.016  -7.220
   22    H    ARG   4           HN       ARG   4   0.939  -4.253  -5.340
   23    HA   ARG   4           HA       ARG   4  -1.278  -3.775  -3.467
   24    HB2  ARG   4           HB2      ARG   4   0.266  -5.577  -2.767
   25    HB3  ARG   4           HB1      ARG   4   1.601  -4.432  -2.821
   26    HG2  ARG   4           HG2      ARG   4   0.624  -3.140  -1.036
   27    HG3  ARG   4           HG1      ARG   4  -0.803  -4.177  -1.027
   28    HD2  ARG   4           HD2      ARG   4   0.643  -6.092  -0.434
   29    HD3  ARG   4           HD1      ARG   4   2.020  -4.994  -0.357
   30    HE   ARG   4           HE       ARG   4   0.273  -3.855   1.349
   31   HH11  ARG   4          HH11      ARG   4   1.472  -7.125   1.037
   32   HH12  ARG   4          HH12      ARG   4   1.322  -7.479   2.728
   33   HH21  ARG   4          HH21      ARG   4   0.069  -4.326   3.590
   34   HH22  ARG   4          HH22      ARG   4   0.522  -5.896   4.174
   35    H    LEU   5           HN       LEU   5  -1.680  -1.756  -3.029
   36    HA   LEU   5           HA       LEU   5   0.522   0.195  -2.977
   37    HB2  LEU   5           HB2      LEU   5  -2.267   0.619  -4.065
   38    HB3  LEU   5           HB1      LEU   5  -1.091   1.894  -3.816
   39    HG   LEU   5           HG       LEU   5  -0.754  -0.420  -5.730
   40   HD11  LEU   5          HD11      LEU   5  -1.404   2.475  -6.257
   41   HD12  LEU   5          HD12      LEU   5  -2.511   1.115  -6.444
   42   HD13  LEU   5          HD13      LEU   5  -1.088   1.243  -7.479
   43   HD21  LEU   5          HD21      LEU   5   1.375   0.388  -4.887
   44   HD22  LEU   5          HD22      LEU   5   0.916   2.049  -5.265
   45   HD23  LEU   5          HD23      LEU   5   1.156   0.881  -6.565
   46    H    CYS   6           HN       CYS   6   0.638   1.270  -1.092
   47    HA   CYS   6           HA       CYS   6  -1.740   1.342   0.619
   48    HB2  CYS   6           HB2      CYS   6   0.974   0.480   1.639
   49    HB3  CYS   6           HB1      CYS   6  -0.555   0.466   2.515
   50    H    TYR   7           HN       TYR   7  -2.056   3.284   1.466
   51    HA   TYR   7           HA       TYR   7   0.209   5.123   1.748
   52    HB2  TYR   7           HB2      TYR   7  -2.396   5.800   0.355
   53    HB3  TYR   7           HB1      TYR   7  -1.109   6.942   0.723
   54    HD1  TYR   7           HD1      TYR   7   1.121   6.658  -0.410
   55    HD2  TYR   7           HD2      TYR   7  -2.332   4.482  -1.604
   56    HE1  TYR   7           HE1      TYR   7   2.189   6.157  -2.565
   57    HE2  TYR   7           HE2      TYR   7  -1.273   3.976  -3.763
   58    HH   TYR   7           HH       TYR   7   2.013   4.433  -4.346
   59    H    CYS   8           HN       CYS   8  -0.077   6.734   3.300
   60    HA   CYS   8           HA       CYS   8  -2.387   6.337   5.074
   61    HB2  CYS   8           HB2      CYS   8   0.264   7.646   5.722
   62    HB3  CYS   8           HB1      CYS   8  -1.027   7.281   6.858
   63    H    ARG   9           HN       ARG   9  -3.859   7.917   5.187
   64    HA   ARG   9           HA       ARG   9  -3.160  10.547   4.068
   65    HB2  ARG   9           HB2      ARG   9  -4.368   9.273   2.377
   66    HB3  ARG   9           HB1      ARG   9  -5.656   8.932   3.523
   67    HG2  ARG   9           HG2      ARG   9  -6.172  11.331   3.636
   68    HG3  ARG   9           HG1      ARG   9  -4.908  11.639   2.441
   69    HD2  ARG   9           HD2      ARG   9  -6.070  10.325   0.797
   70    HD3  ARG   9           HD1      ARG   9  -7.270   9.830   1.985
   71    HE   ARG   9           HE       ARG   9  -7.049  12.684   1.522
   72   HH11  ARG   9          HH11      ARG   9  -8.708   9.695   0.784
   73   HH12  ARG   9          HH12      ARG   9 -10.104  10.475   0.123
   74   HH21  ARG   9          HH21      ARG   9  -8.892  13.732   0.652
   75   HH22  ARG   9          HH22      ARG   9 -10.209  12.782   0.047
   76    H    GLY  10           HN       GLY  10  -3.394  12.020   5.597
   77    HA2  GLY  10           HA2      GLY  10  -4.504  13.344   7.134
   78    HA3  GLY  10           HA1      GLY  10  -5.873  12.243   7.041
   79    H    TRP  11           HN       TRP  11  -6.240  10.962   8.717
   80    HA   TRP  11           HA       TRP  11  -3.992  10.413  10.537
   81    HB2  TRP  11           HB2      TRP  11  -6.874  10.985  11.228
   82    HB3  TRP  11           HB1      TRP  11  -5.727  10.290  12.370
   83    HD1  TRP  11           HD1      TRP  11  -6.682  13.564  10.713
   84    HE1  TRP  11           HE1      TRP  11  -5.342  15.480  11.793
   85    HE3  TRP  11           HE3      TRP  11  -3.428  10.793  13.512
   86    HZ2  TRP  11           HZ2      TRP  11  -3.186  15.771  13.591
   87    HZ3  TRP  11           HZ3      TRP  11  -1.753  11.966  14.882
   88    HH2  TRP  11           HH2      TRP  11  -1.635  14.404  14.919
   89    H    ILE  12           HN       ILE  12  -5.879   9.077   8.295
   90    HA   ILE  12           HA       ILE  12  -5.861   6.459   9.647
   91    HB   ILE  12           HB       ILE  12  -7.604   5.715   8.087
   92   HG12  ILE  12          HG12      ILE  12  -7.720   8.607   7.200
   93   HG13  ILE  12          HG11      ILE  12  -7.091   7.276   6.234
   94   HG21  ILE  12          HG21      ILE  12  -9.473   6.981   9.060
   95   HG22  ILE  12          HG22      ILE  12  -8.330   8.187   9.650
   96   HG23  ILE  12          HG23      ILE  12  -8.265   6.536  10.264
   97   HD11  ILE  12          HD11      ILE  12  -9.925   7.556   7.207
   98   HD12  ILE  12          HD12      ILE  12  -9.294   6.245   6.211
   99   HD13  ILE  12          HD13      ILE  12  -9.353   7.888   5.574
  100    H    CYS  13           HN       CYS  13  -5.123   4.670   8.423
  101    HA   CYS  13           HA       CYS  13  -3.796   5.375   5.906
  102    HB2  CYS  13           HB2      CYS  13  -2.149   5.284   7.811
  103    HB3  CYS  13           HB1      CYS  13  -2.556   3.581   8.002
  104    H    PHE  14           HN       PHE  14  -3.848   3.830   4.327
  105    HA   PHE  14           HA       PHE  14  -5.324   1.373   4.970
  106    HB2  PHE  14           HB2      PHE  14  -6.574   1.607   2.850
  107    HB3  PHE  14           HB1      PHE  14  -6.907   2.929   3.964
  108    HD1  PHE  14           HD1      PHE  14  -5.255   1.968   0.841
  109    HD2  PHE  14           HD2      PHE  14  -6.245   5.175   3.460
  110    HE1  PHE  14           HE1      PHE  14  -4.647   3.577  -0.905
  111    HE2  PHE  14           HE2      PHE  14  -5.641   6.794   1.715
  112    HZ   PHE  14           HZ       PHE  14  -4.840   5.998  -0.477
  113    H    CYS  15           HN       CYS  15  -4.948  -0.376   3.530
  114    HA   CYS  15           HA       CYS  15  -2.617  -0.157   1.789
  115    HB2  CYS  15           HB2      CYS  15  -1.831  -0.737   4.103
  116    HB3  CYS  15           HB1      CYS  15  -2.822  -2.184   4.032
  117    H    VAL  16           HN       VAL  16  -3.202  -1.084  -0.083
  118    HA   VAL  16           HA       VAL  16  -5.201  -3.247   0.015
  119    HB   VAL  16           HB       VAL  16  -4.999  -1.073  -2.078
  120   HG11  VAL  16          HG11      VAL  16  -6.987  -3.321  -1.766
  121   HG12  VAL  16          HG12      VAL  16  -5.755  -3.182  -3.021
  122   HG13  VAL  16          HG13      VAL  16  -7.084  -2.022  -2.956
  123   HG21  VAL  16          HG21      VAL  16  -5.891  -0.242   0.045
  124   HG22  VAL  16          HG22      VAL  16  -7.101  -1.524   0.040
  125   HG23  VAL  16          HG23      VAL  16  -7.133  -0.276  -1.206
  126    H    GLY  17           HN       GLY  17  -4.433  -5.091  -0.774
  127    HA2  GLY  17           HA2      GLY  17  -2.835  -5.079  -3.197
  128    HA3  GLY  17           HA1      GLY  17  -2.027  -5.693  -1.764
  129    H    ARG  18           HN       ARG  18  -2.487  -7.200  -4.074
  130    HA   ARG  18           HA       ARG  18  -4.381  -9.198  -3.039
  131    HB2  ARG  18           HB2      ARG  18  -3.637  -8.679  -5.925
  132    HB3  ARG  18           HB1      ARG  18  -4.702  -9.958  -5.363
  133    HG2  ARG  18           HG2      ARG  18  -5.211  -7.003  -5.089
  134    HG3  ARG  18           HG1      ARG  18  -5.940  -8.071  -6.286
  135    HD2  ARG  18           HD2      ARG  18  -6.244  -8.326  -3.298
  136    HD3  ARG  18           HD1      ARG  18  -7.436  -7.631  -4.392
  137    HE   ARG  18           HE       ARG  18  -6.691 -10.293  -5.125
  138   HH11  ARG  18          HH11      ARG  18  -8.748  -8.407  -3.015
  139   HH12  ARG  18          HH12      ARG  18  -9.913  -9.673  -2.812
  140   HH21  ARG  18          HH21      ARG  18  -8.221 -11.956  -4.865
  141   HH22  ARG  18          HH22      ARG  18  -9.625 -11.689  -3.881
  Start of MODEL    7
    1    H1   ARG   1           HT1      ARG   1   8.215  -4.728  -7.707
    2    H2   ARG   1           HT2      ARG   1   7.846  -4.909  -6.065
    3    H3   ARG   1           HT3      ARG   1   6.748  -4.145  -7.097
    4    HA   ARG   1           HA       ARG   1   6.377  -6.172  -8.298
    5    HB2  ARG   1           HB2      ARG   1   8.584  -7.157  -8.047
    6    HB3  ARG   1           HB1      ARG   1   8.350  -7.319  -6.314
    7    HG2  ARG   1           HG2      ARG   1   8.091  -9.445  -7.519
    8    HG3  ARG   1           HG1      ARG   1   6.627  -8.972  -6.656
    9    HD2  ARG   1           HD2      ARG   1   6.132  -9.851  -8.895
   10    HD3  ARG   1           HD1      ARG   1   5.639  -8.168  -8.721
   11    HE   ARG   1           HE       ARG   1   8.263  -8.553  -9.873
   12   HH11  ARG   1          HH11      ARG   1   4.833  -8.203 -10.501
   13   HH12  ARG   1          HH12      ARG   1   5.061  -7.655 -12.130
   14   HH21  ARG   1          HH21      ARG   1   8.563  -7.842 -12.017
   15   HH22  ARG   1          HH22      ARG   1   7.180  -7.461 -12.994
   16    H    GLY   2           HN       GLY   2   4.396  -6.813  -7.783
   17    HA2  GLY   2           HA2      GLY   2   2.917  -7.995  -6.272
   18    HA3  GLY   2           HA1      GLY   2   3.740  -7.203  -4.934
   19    H    GLY   3           HN       GLY   3   0.900  -7.258  -6.370
   20    HA2  GLY   3           HA2      GLY   3   0.445  -4.454  -6.859
   21    HA3  GLY   3           HA1      GLY   3  -0.763  -5.729  -6.874
   22    H    ARG   4           HN       ARG   4   1.376  -4.114  -4.541
   23    HA   ARG   4           HA       ARG   4  -0.917  -3.986  -2.695
   24    HB2  ARG   4           HB2      ARG   4   2.030  -4.035  -2.012
   25    HB3  ARG   4           HB1      ARG   4   0.715  -3.902  -0.856
   26    HG2  ARG   4           HG2      ARG   4  -0.085  -6.120  -1.529
   27    HG3  ARG   4           HG1      ARG   4   1.274  -6.256  -2.647
   28    HD2  ARG   4           HD2      ARG   4   1.473  -5.916   0.343
   29    HD3  ARG   4           HD1      ARG   4   1.708  -7.425  -0.537
   30    HE   ARG   4           HE       ARG   4   3.519  -5.838  -1.700
   31   HH11  ARG   4          HH11      ARG   4   2.789  -6.421   1.671
   32   HH12  ARG   4          HH12      ARG   4   4.412  -6.124   2.205
   33   HH21  ARG   4          HH21      ARG   4   5.661  -5.471  -1.006
   34   HH22  ARG   4          HH22      ARG   4   6.044  -5.573   0.684
   35    H    LEU   5           HN       LEU   5  -1.696  -2.026  -2.420
   36    HA   LEU   5           HA       LEU   5   0.112   0.273  -2.760
   37    HB2  LEU   5           HB2      LEU   5  -2.746   0.063  -3.714
   38    HB3  LEU   5           HB1      LEU   5  -1.747   1.500  -3.811
   39    HG   LEU   5           HG       LEU   5  -1.198  -1.094  -5.256
   40   HD11  LEU   5          HD11      LEU   5  -2.267   1.533  -6.267
   41   HD12  LEU   5          HD12      LEU   5  -3.165   0.022  -6.132
   42   HD13  LEU   5          HD13      LEU   5  -1.819   0.150  -7.264
   43   HD21  LEU   5          HD21      LEU   5   0.476   0.239  -6.473
   44   HD22  LEU   5          HD22      LEU   5   0.847   0.095  -4.757
   45   HD23  LEU   5          HD23      LEU   5   0.163   1.591  -5.386
   46    H    CYS   6           HN       CYS   6   0.047   1.725  -1.166
   47    HA   CYS   6           HA       CYS   6  -2.145   1.515   0.787
   48    HB2  CYS   6           HB2      CYS   6   0.683   2.477   1.269
   49    HB3  CYS   6           HB1      CYS   6  -0.581   2.328   2.483
   50    H    TYR   7           HN       TYR   7  -3.290   3.308   1.253
   51    HA   TYR   7           HA       TYR   7  -2.349   5.849   0.091
   52    HB2  TYR   7           HB2      TYR   7  -5.213   4.898   0.366
   53    HB3  TYR   7           HB1      TYR   7  -4.709   6.465  -0.264
   54    HD1  TYR   7           HD1      TYR   7  -5.263   2.982  -1.022
   55    HD2  TYR   7           HD2      TYR   7  -3.390   6.544  -2.405
   56    HE1  TYR   7           HE1      TYR   7  -5.089   2.011  -3.274
   57    HE2  TYR   7           HE2      TYR   7  -3.216   5.582  -4.661
   58    HH   TYR   7           HH       TYR   7  -3.166   3.383  -5.721
   59    H    CYS   8           HN       CYS   8  -1.934   7.342   1.561
   60    HA   CYS   8           HA       CYS   8  -3.039   6.947   4.258
   61    HB2  CYS   8           HB2      CYS   8  -0.554   8.490   3.496
   62    HB3  CYS   8           HB1      CYS   8  -1.090   8.094   5.120
   63    H    ARG   9           HN       ARG   9  -4.451   8.368   4.967
   64    HA   ARG   9           HA       ARG   9  -4.331  11.130   3.955
   65    HB2  ARG   9           HB2      ARG   9  -6.772   9.468   4.597
   66    HB3  ARG   9           HB1      ARG   9  -6.815  11.205   4.347
   67    HG2  ARG   9           HG2      ARG   9  -5.957  10.873   2.064
   68    HG3  ARG   9           HG1      ARG   9  -6.003   9.128   2.327
   69    HD2  ARG   9           HD2      ARG   9  -8.411  10.913   2.614
   70    HD3  ARG   9           HD1      ARG   9  -7.980  10.109   1.109
   71    HE   ARG   9           HE       ARG   9  -8.492   8.032   2.087
   72   HH11  ARG   9          HH11      ARG   9  -9.123  10.714   4.254
   73   HH12  ARG   9          HH12      ARG   9 -10.166   9.797   5.291
   74   HH21  ARG   9          HH21      ARG   9  -9.903   6.834   3.440
   75   HH22  ARG   9          HH22      ARG   9 -10.620   7.603   4.821
   76    H    GLY  10           HN       GLY  10  -2.978  11.580   5.777
   77    HA2  GLY  10           HA2      GLY  10  -2.724  12.615   7.811
   78    HA3  GLY  10           HA1      GLY  10  -4.471  12.586   7.979
   79    H    TRP  11           HN       TRP  11  -5.427  11.036   9.227
   80    HA   TRP  11           HA       TRP  11  -3.559   9.542  10.919
   81    HB2  TRP  11           HB2      TRP  11  -6.419  10.396  11.384
   82    HB3  TRP  11           HB1      TRP  11  -5.478   9.428  12.514
   83    HD1  TRP  11           HD1      TRP  11  -5.843  12.988  11.199
   84    HE1  TRP  11           HE1      TRP  11  -4.498  14.576  12.714
   85    HE3  TRP  11           HE3      TRP  11  -3.433   9.512  14.065
   86    HZ2  TRP  11           HZ2      TRP  11  -2.657  14.373  14.844
   87    HZ3  TRP  11           HZ3      TRP  11  -1.897  10.293  15.821
   88    HH2  TRP  11           HH2      TRP  11  -1.520  12.674  16.200
   89    H    ILE  12           HN       ILE  12  -5.163   8.868   8.244
   90    HA   ILE  12           HA       ILE  12  -5.567   6.093   9.079
   91    HB   ILE  12           HB       ILE  12  -7.805   6.977   9.041
   92   HG12  ILE  12          HG12      ILE  12  -8.829   5.581   7.248
   93   HG13  ILE  12          HG11      ILE  12  -7.226   5.343   6.563
   94   HG21  ILE  12          HG21      ILE  12  -7.221   7.938   6.247
   95   HG22  ILE  12          HG22      ILE  12  -7.463   8.944   7.676
   96   HG23  ILE  12          HG23      ILE  12  -8.797   7.983   7.038
   97   HD11  ILE  12          HD11      ILE  12  -7.922   3.433   7.889
   98   HD12  ILE  12          HD12      ILE  12  -8.114   4.473   9.301
   99   HD13  ILE  12          HD13      ILE  12  -6.514   4.219   8.601
  100    H    CYS  13           HN       CYS  13  -4.282   4.855   7.911
  101    HA   CYS  13           HA       CYS  13  -4.110   5.378   5.031
  102    HB2  CYS  13           HB2      CYS  13  -2.021   6.189   6.117
  103    HB3  CYS  13           HB1      CYS  13  -1.753   4.568   6.753
  104    H    PHE  14           HN       PHE  14  -4.787   3.682   3.953
  105    HA   PHE  14           HA       PHE  14  -4.725   1.066   5.298
  106    HB2  PHE  14           HB2      PHE  14  -6.750   0.484   4.053
  107    HB3  PHE  14           HB1      PHE  14  -7.008   1.937   5.011
  108    HD1  PHE  14           HD1      PHE  14  -6.778   0.542   1.668
  109    HD2  PHE  14           HD2      PHE  14  -7.233   4.115   3.928
  110    HE1  PHE  14           HE1      PHE  14  -7.529   1.713  -0.351
  111    HE2  PHE  14           HE2      PHE  14  -7.989   5.300   1.910
  112    HZ   PHE  14           HZ       PHE  14  -8.138   4.100  -0.237
  113    H    CYS  15           HN       CYS  15  -4.370  -0.781   3.989
  114    HA   CYS  15           HA       CYS  15  -2.924  -0.173   1.504
  115    HB2  CYS  15           HB2      CYS  15  -2.239  -2.223   3.618
  116    HB3  CYS  15           HB1      CYS  15  -1.445  -2.109   2.051
  117    H    VAL  16           HN       VAL  16  -3.436  -1.307  -0.243
  118    HA   VAL  16           HA       VAL  16  -5.370  -3.511   0.070
  119    HB   VAL  16           HB       VAL  16  -4.946  -1.731  -2.341
  120   HG11  VAL  16          HG11      VAL  16  -5.742  -3.959  -2.922
  121   HG12  VAL  16          HG12      VAL  16  -6.995  -2.748  -3.194
  122   HG13  VAL  16          HG13      VAL  16  -7.073  -3.793  -1.776
  123   HG21  VAL  16          HG21      VAL  16  -7.121  -0.740  -1.771
  124   HG22  VAL  16          HG22      VAL  16  -5.916  -0.460  -0.515
  125   HG23  VAL  16          HG23      VAL  16  -7.155  -1.695  -0.287
  126    H    GLY  17           HN       GLY  17  -4.605  -5.460  -0.401
  127    HA2  GLY  17           HA2      GLY  17  -2.229  -5.636  -2.144
  128    HA3  GLY  17           HA1      GLY  17  -2.563  -6.742  -0.818
  129    H    ARG  18           HN       ARG  18  -2.441  -6.652  -3.999
  130    HA   ARG  18           HA       ARG  18  -4.798  -8.375  -4.385
  131    HB2  ARG  18           HB2      ARG  18  -4.742  -6.288  -5.740
  132    HB3  ARG  18           HB1      ARG  18  -3.230  -6.823  -6.458
  133    HG2  ARG  18           HG2      ARG  18  -5.124  -7.224  -7.937
  134    HG3  ARG  18           HG1      ARG  18  -4.358  -8.737  -7.450
  135    HD2  ARG  18           HD2      ARG  18  -6.810  -8.872  -7.401
  136    HD3  ARG  18           HD1      ARG  18  -6.094  -9.124  -5.811
  137    HE   ARG  18           HE       ARG  18  -6.977  -6.420  -6.431
  138   HH11  ARG  18          HH11      ARG  18  -7.644  -9.467  -4.855
  139   HH12  ARG  18          HH12      ARG  18  -8.868  -8.814  -3.817
  140   HH21  ARG  18          HH21      ARG  18  -8.575  -5.538  -5.034
  141   HH22  ARG  18          HH22      ARG  18  -9.382  -6.579  -3.904
  Start of MODEL    8
    1    H1   ARG   1           HT1      ARG   1   7.826  -5.966  -6.856
    2    H2   ARG   1           HT2      ARG   1   6.136  -5.880  -6.817
    3    H3   ARG   1           HT3      ARG   1   7.048  -5.145  -5.602
    4    HA   ARG   1           HA       ARG   1   7.989  -3.599  -7.197
    5    HB2  ARG   1           HB2      ARG   1   5.978  -4.795  -9.116
    6    HB3  ARG   1           HB1      ARG   1   7.084  -3.474  -9.447
    7    HG2  ARG   1           HG2      ARG   1   7.917  -6.296  -8.838
    8    HG3  ARG   1           HG1      ARG   1   7.770  -5.610 -10.454
    9    HD2  ARG   1           HD2      ARG   1   9.456  -3.916  -9.853
   10    HD3  ARG   1           HD1      ARG   1   9.629  -4.679  -8.273
   11    HE   ARG   1           HE       ARG   1  10.040  -6.437 -10.525
   12   HH11  ARG   1          HH11      ARG   1  11.531  -4.252  -8.243
   13   HH12  ARG   1          HH12      ARG   1  13.116  -4.932  -8.434
   14   HH21  ARG   1          HH21      ARG   1  12.119  -7.334 -10.788
   15   HH22  ARG   1          HH22      ARG   1  13.453  -6.684  -9.886
   16    H    GLY   2           HN       GLY   2   4.608  -4.439  -7.891
   17    HA2  GLY   2           HA2      GLY   2   3.670  -2.332  -6.116
   18    HA3  GLY   2           HA1      GLY   2   3.351  -2.105  -7.831
   19    H    GLY   3           HN       GLY   3   3.317  -5.017  -5.822
   20    HA2  GLY   3           HA2      GLY   3   0.882  -5.934  -7.004
   21    HA3  GLY   3           HA1      GLY   3   1.731  -6.680  -5.658
   22    H    ARG   4           HN       ARG   4   1.653  -4.046  -4.211
   23    HA   ARG   4           HA       ARG   4  -1.199  -4.042  -3.515
   24    HB2  ARG   4           HB2      ARG   4  -0.603  -3.802  -1.148
   25    HB3  ARG   4           HB1      ARG   4   0.017  -5.306  -1.813
   26    HG2  ARG   4           HG2      ARG   4   2.232  -4.240  -2.054
   27    HG3  ARG   4           HG1      ARG   4   1.586  -2.795  -1.275
   28    HD2  ARG   4           HD2      ARG   4   2.726  -4.080   0.387
   29    HD3  ARG   4           HD1      ARG   4   0.995  -4.202   0.690
   30    HE   ARG   4           HE       ARG   4   2.074  -6.347  -0.907
   31   HH11  ARG   4          HH11      ARG   4   1.379  -5.213   2.331
   32   HH12  ARG   4          HH12      ARG   4   1.398  -6.801   3.029
   33   HH21  ARG   4          HH21      ARG   4   2.103  -8.448   0.017
   34   HH22  ARG   4          HH22      ARG   4   1.801  -8.637   1.715
   35    H    LEU   5           HN       LEU   5  -2.069  -2.095  -2.862
   36    HA   LEU   5           HA       LEU   5  -0.358   0.261  -3.322
   37    HB2  LEU   5           HB2      LEU   5  -3.317  -0.056  -3.850
   38    HB3  LEU   5           HB1      LEU   5  -2.410   1.430  -4.058
   39    HG   LEU   5           HG       LEU   5  -1.948  -1.112  -5.624
   40   HD11  LEU   5          HD11      LEU   5  -4.086  -0.082  -6.179
   41   HD12  LEU   5          HD12      LEU   5  -2.929   0.108  -7.496
   42   HD13  LEU   5          HD13      LEU   5  -3.283   1.467  -6.431
   43   HD21  LEU   5          HD21      LEU   5  -0.529   0.305  -7.033
   44   HD22  LEU   5          HD22      LEU   5   0.079   0.211  -5.381
   45   HD23  LEU   5          HD23      LEU   5  -0.780   1.651  -5.925
   46    H    CYS   6           HN       CYS   6  -0.079   1.500  -1.584
   47    HA   CYS   6           HA       CYS   6  -1.935   1.107   0.661
   48    HB2  CYS   6           HB2      CYS   6   0.963   1.963   0.779
   49    HB3  CYS   6           HB1      CYS   6  -0.079   1.626   2.154
   50    H    TYR   7           HN       TYR   7  -3.115   2.793   1.247
   51    HA   TYR   7           HA       TYR   7  -2.323   5.450   0.243
   52    HB2  TYR   7           HB2      TYR   7  -5.105   4.355   0.717
   53    HB3  TYR   7           HB1      TYR   7  -4.732   5.985   0.175
   54    HD1  TYR   7           HD1      TYR   7  -5.069   2.501  -0.796
   55    HD2  TYR   7           HD2      TYR   7  -3.825   6.357  -2.093
   56    HE1  TYR   7           HE1      TYR   7  -5.133   1.731  -3.130
   57    HE2  TYR   7           HE2      TYR   7  -3.884   5.597  -4.429
   58    HH   TYR   7           HH       TYR   7  -3.764   3.511  -5.689
   59    H    CYS   8           HN       CYS   8  -1.733   6.788   1.798
   60    HA   CYS   8           HA       CYS   8  -2.963   6.499   4.453
   61    HB2  CYS   8           HB2      CYS   8  -0.439   7.993   3.705
   62    HB3  CYS   8           HB1      CYS   8  -1.061   7.751   5.330
   63    H    ARG   9           HN       ARG   9  -4.146   8.159   5.291
   64    HA   ARG   9           HA       ARG   9  -4.269  10.673   3.815
   65    HB2  ARG   9           HB2      ARG   9  -5.894   9.144   2.744
   66    HB3  ARG   9           HB1      ARG   9  -6.691   8.930   4.294
   67    HG2  ARG   9           HG2      ARG   9  -7.344  11.243   4.337
   68    HG3  ARG   9           HG1      ARG   9  -6.423  11.563   2.864
   69    HD2  ARG   9           HD2      ARG   9  -7.859   9.997   1.641
   70    HD3  ARG   9           HD1      ARG   9  -8.788   9.713   3.111
   71    HE   ARG   9           HE       ARG   9  -9.058  12.334   2.888
   72   HH11  ARG   9          HH11      ARG   9  -9.239   9.879   0.401
   73   HH12  ARG   9          HH12      ARG   9 -10.402  10.748  -0.551
   74   HH21  ARG   9          HH21      ARG   9 -10.601  13.473   1.647
   75   HH22  ARG   9          HH22      ARG   9 -11.183  12.782   0.166
   76    H    GLY  10           HN       GLY  10  -3.866  12.065   5.389
   77    HA2  GLY  10           HA2      GLY  10  -4.279  13.347   7.255
   78    HA3  GLY  10           HA1      GLY  10  -5.728  12.393   7.534
   79    H    TRP  11           HN       TRP  11  -5.730  11.109   9.248
   80    HA   TRP  11           HA       TRP  11  -3.178  10.632  10.609
   81    HB2  TRP  11           HB2      TRP  11  -5.984  10.456  11.720
   82    HB3  TRP  11           HB1      TRP  11  -4.485  10.359  12.641
   83    HD1  TRP  11           HD1      TRP  11  -2.962  12.706  12.608
   84    HE1  TRP  11           HE1      TRP  11  -3.780  15.147  12.686
   85    HE3  TRP  11           HE3      TRP  11  -7.795  11.988  11.110
   86    HZ2  TRP  11           HZ2      TRP  11  -6.162  16.576  12.173
   87    HZ3  TRP  11           HZ3      TRP  11  -9.277  13.943  10.930
   88    HH2  TRP  11           HH2      TRP  11  -8.476  16.186  11.451
   89    H    ILE  12           HN       ILE  12  -5.392   9.079   8.670
   90    HA   ILE  12           HA       ILE  12  -4.787   6.463   9.880
   91    HB   ILE  12           HB       ILE  12  -6.847   5.598   8.844
   92   HG12  ILE  12          HG12      ILE  12  -7.442   8.494   8.189
   93   HG13  ILE  12          HG11      ILE  12  -6.986   7.268   7.008
   94   HG21  ILE  12          HG21      ILE  12  -8.435   6.684  10.374
   95   HG22  ILE  12          HG22      ILE  12  -7.259   7.965  10.665
   96   HG23  ILE  12          HG23      ILE  12  -6.900   6.309  11.156
   97   HD11  ILE  12          HD11      ILE  12  -9.008   6.012   7.527
   98   HD12  ILE  12          HD12      ILE  12  -9.384   7.656   7.013
   99   HD13  ILE  12          HD13      ILE  12  -9.460   7.228   8.722
  100    H    CYS  13           HN       CYS  13  -4.276   4.743   8.486
  101    HA   CYS  13           HA       CYS  13  -4.019   5.353   5.646
  102    HB2  CYS  13           HB2      CYS  13  -1.823   5.890   6.665
  103    HB3  CYS  13           HB1      CYS  13  -1.734   4.245   7.289
  104    H    PHE  14           HN       PHE  14  -4.282   3.609   4.331
  105    HA   PHE  14           HA       PHE  14  -4.548   0.964   5.554
  106    HB2  PHE  14           HB2      PHE  14  -6.711   0.587   4.441
  107    HB3  PHE  14           HB1      PHE  14  -6.814   1.922   5.584
  108    HD1  PHE  14           HD1      PHE  14  -7.086   4.209   4.801
  109    HD2  PHE  14           HD2      PHE  14  -6.901   0.947   2.075
  110    HE1  PHE  14           HE1      PHE  14  -7.971   5.653   3.017
  111    HE2  PHE  14           HE2      PHE  14  -7.780   2.382   0.291
  112    HZ   PHE  14           HZ       PHE  14  -8.318   4.741   0.758
  113    H    CYS  15           HN       CYS  15  -4.404  -0.763   3.974
  114    HA   CYS  15           HA       CYS  15  -3.400   0.120   1.375
  115    HB2  CYS  15           HB2      CYS  15  -1.471  -0.246   2.923
  116    HB3  CYS  15           HB1      CYS  15  -1.977  -1.922   3.092
  117    H    VAL  16           HN       VAL  16  -3.988  -1.106  -0.296
  118    HA   VAL  16           HA       VAL  16  -5.436  -3.598   0.306
  119    HB   VAL  16           HB       VAL  16  -6.631  -3.178  -1.897
  120   HG11  VAL  16          HG11      VAL  16  -7.055  -1.224   0.361
  121   HG12  VAL  16          HG12      VAL  16  -7.736  -2.847   0.237
  122   HG13  VAL  16          HG13      VAL  16  -8.232  -1.594  -0.901
  123   HG21  VAL  16          HG21      VAL  16  -5.080  -1.502  -2.798
  124   HG22  VAL  16          HG22      VAL  16  -5.534  -0.391  -1.508
  125   HG23  VAL  16          HG23      VAL  16  -6.728  -0.879  -2.711
  126    H    GLY  17           HN       GLY  17  -4.584  -5.404  -0.484
  127    HA2  GLY  17           HA2      GLY  17  -2.496  -5.126  -2.550
  128    HA3  GLY  17           HA1      GLY  17  -2.474  -6.340  -1.283
  129    H    ARG  18           HN       ARG  18  -3.025  -5.863  -4.463
  130    HA   ARG  18           HA       ARG  18  -4.003  -8.508  -4.812
  131    HB2  ARG  18           HB2      ARG  18  -6.154  -7.395  -4.365
  132    HB3  ARG  18           HB1      ARG  18  -5.827  -6.243  -5.653
  133    HG2  ARG  18           HG2      ARG  18  -5.937  -7.977  -7.309
  134    HG3  ARG  18           HG1      ARG  18  -6.081  -9.213  -6.061
  135    HD2  ARG  18           HD2      ARG  18  -8.072  -6.997  -6.520
  136    HD3  ARG  18           HD1      ARG  18  -8.235  -8.634  -7.151
  137    HE   ARG  18           HE       ARG  18  -7.849  -8.617  -4.322
  138   HH11  ARG  18          HH11      ARG  18 -10.251  -8.120  -6.819
  139   HH12  ARG  18          HH12      ARG  18 -11.584  -8.562  -5.802
  140   HH21  ARG  18          HH21      ARG  18  -9.599  -9.207  -2.981
  141   HH22  ARG  18          HH22      ARG  18 -11.214  -9.180  -3.615
  Start of MODEL    9
    1    H1   ARG   1           HT1      ARG   1   2.468   0.313  -5.615
    2    H2   ARG   1           HT2      ARG   1   0.895   0.095  -5.035
    3    H3   ARG   1           HT3      ARG   1   1.477   1.655  -5.336
    4    HA   ARG   1           HA       ARG   1  -0.024   0.940  -7.081
    5    HB2  ARG   1           HB2      ARG   1   1.902   2.458  -7.557
    6    HB3  ARG   1           HB1      ARG   1   2.858   1.054  -8.001
    7    HG2  ARG   1           HG2      ARG   1   1.218   0.575  -9.803
    8    HG3  ARG   1           HG1      ARG   1   0.398   2.083  -9.395
    9    HD2  ARG   1           HD2      ARG   1   2.508   3.299  -9.838
   10    HD3  ARG   1           HD1      ARG   1   3.244   1.782 -10.347
   11    HE   ARG   1           HE       ARG   1   0.818   2.587 -11.736
   12   HH11  ARG   1          HH11      ARG   1   4.319   2.440 -11.756
   13   HH12  ARG   1          HH12      ARG   1   4.445   2.706 -13.464
   14   HH21  ARG   1          HH21      ARG   1   0.988   2.952 -13.979
   15   HH22  ARG   1          HH22      ARG   1   2.553   3.003 -14.727
   16    H    GLY   2           HN       GLY   2  -0.751  -0.649  -8.438
   17    HA2  GLY   2           HA2      GLY   2  -0.813  -2.622  -9.613
   18    HA3  GLY   2           HA1      GLY   2   0.915  -2.773  -9.360
   19    H    GLY   3           HN       GLY   3   1.687  -3.829  -7.503
   20    HA2  GLY   3           HA2      GLY   3   0.240  -6.165  -6.881
   21    HA3  GLY   3           HA1      GLY   3   1.708  -5.629  -6.078
   22    H    ARG   4           HN       ARG   4   0.806  -3.215  -5.025
   23    HA   ARG   4           HA       ARG   4  -1.609  -3.726  -3.528
   24    HB2  ARG   4           HB2      ARG   4  -0.605  -3.532  -1.334
   25    HB3  ARG   4           HB1      ARG   4   0.121  -4.882  -2.193
   26    HG2  ARG   4           HG2      ARG   4   2.076  -3.506  -2.708
   27    HG3  ARG   4           HG1      ARG   4   1.346  -2.155  -1.834
   28    HD2  ARG   4           HD2      ARG   4   1.299  -3.545   0.205
   29    HD3  ARG   4           HD1      ARG   4   2.099  -4.837  -0.684
   30    HE   ARG   4           HE       ARG   4   3.646  -2.504  -0.883
   31   HH11  ARG   4          HH11      ARG   4   2.678  -4.919   1.454
   32   HH12  ARG   4          HH12      ARG   4   4.085  -4.710   2.449
   33   HH21  ARG   4          HH21      ARG   4   5.513  -2.236   0.412
   34   HH22  ARG   4          HH22      ARG   4   5.700  -3.176   1.855
   35    H    LEU   5           HN       LEU   5  -2.461  -1.881  -2.559
   36    HA   LEU   5           HA       LEU   5  -1.141   0.637  -3.334
   37    HB2  LEU   5           HB2      LEU   5  -4.077   0.125  -2.855
   38    HB3  LEU   5           HB1      LEU   5  -3.363   1.641  -3.364
   39    HG   LEU   5           HG       LEU   5  -3.459  -0.907  -4.978
   40   HD11  LEU   5          HD11      LEU   5  -4.874   1.732  -5.313
   41   HD12  LEU   5          HD12      LEU   5  -5.608   0.211  -4.806
   42   HD13  LEU   5          HD13      LEU   5  -4.947   0.370  -6.432
   43   HD21  LEU   5          HD21      LEU   5  -1.412   0.325  -5.431
   44   HD22  LEU   5          HD22      LEU   5  -2.339   1.802  -5.678
   45   HD23  LEU   5          HD23      LEU   5  -2.525   0.450  -6.791
   46    H    CYS   6           HN       CYS   6  -0.321   1.713  -1.672
   47    HA   CYS   6           HA       CYS   6  -1.716   1.564   0.916
   48    HB2  CYS   6           HB2      CYS   6   1.243   1.827   0.355
   49    HB3  CYS   6           HB1      CYS   6   0.530   2.112   1.939
   50    H    TYR   7           HN       TYR   7  -2.654   3.395   1.459
   51    HA   TYR   7           HA       TYR   7  -1.402   5.921   0.620
   52    HB2  TYR   7           HB2      TYR   7  -4.367   5.313   0.539
   53    HB3  TYR   7           HB1      TYR   7  -3.633   6.877   0.197
   54    HD1  TYR   7           HD1      TYR   7  -4.764   3.827  -1.196
   55    HD2  TYR   7           HD2      TYR   7  -1.902   6.924  -1.749
   56    HE1  TYR   7           HE1      TYR   7  -4.540   3.192  -3.559
   57    HE2  TYR   7           HE2      TYR   7  -1.670   6.296  -4.114
   58    HH   TYR   7           HH       TYR   7  -3.838   4.165  -5.668
   59    H    CYS   8           HN       CYS   8  -0.927   7.095   2.341
   60    HA   CYS   8           HA       CYS   8  -2.596   6.812   4.748
   61    HB2  CYS   8           HB2      CYS   8   0.141   8.086   4.574
   62    HB3  CYS   8           HB1      CYS   8  -0.735   7.644   6.029
   63    H    ARG   9           HN       ARG   9  -3.998   8.402   5.097
   64    HA   ARG   9           HA       ARG   9  -3.352  11.116   4.189
   65    HB2  ARG   9           HB2      ARG   9  -5.942   9.658   3.628
   66    HB3  ARG   9           HB1      ARG   9  -5.685  11.373   3.354
   67    HG2  ARG   9           HG2      ARG   9  -4.002  10.896   1.688
   68    HG3  ARG   9           HG1      ARG   9  -4.134   9.167   2.015
   69    HD2  ARG   9           HD2      ARG   9  -6.340  10.931   0.956
   70    HD3  ARG   9           HD1      ARG   9  -5.361   9.827  -0.008
   71    HE   ARG   9           HE       ARG   9  -6.537   8.377   2.083
   72   HH11  ARG   9          HH11      ARG   9  -7.447  10.039  -0.859
   73   HH12  ARG   9          HH12      ARG   9  -8.857   9.070  -1.124
   74   HH21  ARG   9          HH21      ARG   9  -8.396   7.083   1.726
   75   HH22  ARG   9          HH22      ARG   9  -9.396   7.392   0.341
   76    H    GLY  10           HN       GLY  10  -3.427  12.353   5.921
   77    HA2  GLY  10           HA2      GLY  10  -4.209  13.325   7.858
   78    HA3  GLY  10           HA1      GLY  10  -5.690  12.395   7.671
   79    H    TRP  11           HN       TRP  11  -6.049  10.874   9.139
   80    HA   TRP  11           HA       TRP  11  -3.718   9.740  10.529
   81    HB2  TRP  11           HB2      TRP  11  -6.459  10.366  11.637
   82    HB3  TRP  11           HB1      TRP  11  -5.239   9.431  12.497
   83    HD1  TRP  11           HD1      TRP  11  -6.495  12.820  12.329
   84    HE1  TRP  11           HE1      TRP  11  -4.787  14.522  13.236
   85    HE3  TRP  11           HE3      TRP  11  -2.330   9.857  12.329
   86    HZ2  TRP  11           HZ2      TRP  11  -2.033  14.593  13.859
   87    HZ3  TRP  11           HZ3      TRP  11  -0.198  10.818  13.090
   88    HH2  TRP  11           HH2      TRP  11  -0.053  13.136  13.836
   89    H    ILE  12           HN       ILE  12  -5.541   8.957   8.158
   90    HA   ILE  12           HA       ILE  12  -5.863   6.190   9.078
   91    HB   ILE  12           HB       ILE  12  -8.093   7.005   8.832
   92   HG12  ILE  12          HG12      ILE  12  -7.398   5.437   6.335
   93   HG13  ILE  12          HG11      ILE  12  -7.602   4.736   7.940
   94   HG21  ILE  12          HG21      ILE  12  -7.653   8.974   7.478
   95   HG22  ILE  12          HG22      ILE  12  -8.943   8.004   6.767
   96   HG23  ILE  12          HG23      ILE  12  -7.320   7.953   6.077
   97   HD11  ILE  12          HD11      ILE  12  -9.588   4.421   6.578
   98   HD12  ILE  12          HD12      ILE  12  -9.728   6.165   6.359
   99   HD13  ILE  12          HD13      ILE  12  -9.931   5.458   7.961
  100    H    CYS  13           HN       CYS  13  -4.522   4.906   8.105
  101    HA   CYS  13           HA       CYS  13  -3.899   5.359   5.269
  102    HB2  CYS  13           HB2      CYS  13  -1.952   5.927   6.716
  103    HB3  CYS  13           HB1      CYS  13  -1.986   4.288   7.360
  104    H    PHE  14           HN       PHE  14  -3.966   3.565   3.975
  105    HA   PHE  14           HA       PHE  14  -4.528   1.003   5.266
  106    HB2  PHE  14           HB2      PHE  14  -6.484   0.599   3.894
  107    HB3  PHE  14           HB1      PHE  14  -6.706   2.089   4.805
  108    HD1  PHE  14           HD1      PHE  14  -6.580   4.265   3.661
  109    HD2  PHE  14           HD2      PHE  14  -6.384   0.592   1.520
  110    HE1  PHE  14           HE1      PHE  14  -7.070   5.461   1.571
  111    HE2  PHE  14           HE2      PHE  14  -6.869   1.782  -0.574
  112    HZ   PHE  14           HZ       PHE  14  -7.213   4.222  -0.554
  113    H    CYS  15           HN       CYS  15  -4.167  -0.810   3.980
  114    HA   CYS  15           HA       CYS  15  -2.842  -0.337   1.405
  115    HB2  CYS  15           HB2      CYS  15  -1.957  -2.215   3.603
  116    HB3  CYS  15           HB1      CYS  15  -1.349  -2.294   1.953
  117    H    VAL  16           HN       VAL  16  -3.566  -1.587  -0.208
  118    HA   VAL  16           HA       VAL  16  -5.103  -3.988   0.442
  119    HB   VAL  16           HB       VAL  16  -6.809  -2.275   0.245
  120   HG11  VAL  16          HG11      VAL  16  -5.570  -1.668  -2.431
  121   HG12  VAL  16          HG12      VAL  16  -5.752  -0.583  -1.051
  122   HG13  VAL  16          HG13      VAL  16  -7.173  -1.120  -1.942
  123   HG21  VAL  16          HG21      VAL  16  -6.732  -4.058  -2.183
  124   HG22  VAL  16          HG22      VAL  16  -8.165  -3.248  -1.552
  125   HG23  VAL  16          HG23      VAL  16  -7.354  -4.483  -0.590
  126    H    GLY  17           HN       GLY  17  -4.625  -5.643  -0.831
  127    HA2  GLY  17           HA2      GLY  17  -3.163  -5.067  -3.331
  128    HA3  GLY  17           HA1      GLY  17  -2.862  -6.475  -2.320
  129    H    ARG  18           HN       ARG  18  -4.486  -5.304  -4.995
  130    HA   ARG  18           HA       ARG  18  -6.220  -7.679  -5.049
  131    HB2  ARG  18           HB2      ARG  18  -7.507  -5.574  -4.721
  132    HB3  ARG  18           HB1      ARG  18  -6.846  -4.965  -6.231
  133    HG2  ARG  18           HG2      ARG  18  -7.956  -6.724  -7.467
  134    HG3  ARG  18           HG1      ARG  18  -8.561  -7.425  -5.963
  135    HD2  ARG  18           HD2      ARG  18  -9.791  -5.337  -5.518
  136    HD3  ARG  18           HD1      ARG  18  -9.226  -4.694  -7.060
  137    HE   ARG  18           HE       ARG  18 -10.458  -7.082  -7.658
  138   HH11  ARG  18          HH11      ARG  18 -11.379  -4.067  -6.145
  139   HH12  ARG  18          HH12      ARG  18 -13.038  -4.170  -6.645
  140   HH21  ARG  18          HH21      ARG  18 -12.642  -7.225  -8.333
  141   HH22  ARG  18          HH22      ARG  18 -13.752  -5.960  -7.903
  Start of MODEL   10
    1    H1   ARG   1           HT1      ARG   1   1.565 -11.992 -12.705
    2    H2   ARG   1           HT2      ARG   1   0.077 -12.138 -11.911
    3    H3   ARG   1           HT3      ARG   1   1.517 -12.230 -11.032
    4    HA   ARG   1           HA       ARG   1   2.028  -9.952 -11.511
    5    HB2  ARG   1           HB2      ARG   1  -0.572 -10.068 -13.039
    6    HB3  ARG   1           HB1      ARG   1   0.192  -8.560 -12.564
    7    HG2  ARG   1           HG2      ARG   1   1.459 -10.655 -14.313
    8    HG3  ARG   1           HG1      ARG   1   0.656  -9.195 -14.894
    9    HD2  ARG   1           HD2      ARG   1   2.267  -7.825 -13.660
   10    HD3  ARG   1           HD1      ARG   1   3.067  -9.286 -13.088
   11    HE   ARG   1           HE       ARG   1   2.934  -9.269 -15.915
   12   HH11  ARG   1          HH11      ARG   1   4.631  -7.819 -13.225
   13   HH12  ARG   1          HH12      ARG   1   6.061  -7.481 -14.143
   14   HH21  ARG   1          HH21      ARG   1   4.823  -8.852 -17.127
   15   HH22  ARG   1          HH22      ARG   1   6.169  -8.070 -16.361
   16    H    GLY   2           HN       GLY   2   0.677  -8.020 -10.578
   17    HA2  GLY   2           HA2      GLY   2  -1.548  -8.335  -8.991
   18    HA3  GLY   2           HA1      GLY   2  -0.195  -8.861  -7.997
   19    H    GLY   3           HN       GLY   3  -0.186  -7.191  -6.542
   20    HA2  GLY   3           HA2      GLY   3   1.352  -5.039  -6.802
   21    HA3  GLY   3           HA1      GLY   3  -0.136  -4.459  -7.532
   22    H    ARG   4           HN       ARG   4   1.302  -3.637  -5.093
   23    HA   ARG   4           HA       ARG   4  -0.970  -3.904  -3.241
   24    HB2  ARG   4           HB2      ARG   4   1.942  -3.483  -2.517
   25    HB3  ARG   4           HB1      ARG   4   0.604  -3.616  -1.383
   26    HG2  ARG   4           HG2      ARG   4   0.228  -5.917  -2.053
   27    HG3  ARG   4           HG1      ARG   4   1.509  -5.794  -3.258
   28    HD2  ARG   4           HD2      ARG   4   2.418  -6.910  -1.359
   29    HD3  ARG   4           HD1      ARG   4   3.097  -5.285  -1.394
   30    HE   ARG   4           HE       ARG   4   0.743  -5.613   0.259
   31   HH11  ARG   4          HH11      ARG   4   4.234  -5.541   0.099
   32   HH12  ARG   4          HH12      ARG   4   4.440  -5.321   1.808
   33   HH21  ARG   4          HH21      ARG   4   1.006  -5.317   2.522
   34   HH22  ARG   4          HH22      ARG   4   2.606  -5.174   3.178
   35    H    LEU   5           HN       LEU   5  -2.040  -2.067  -3.030
   36    HA   LEU   5           HA       LEU   5  -0.604   0.468  -3.477
   37    HB2  LEU   5           HB2      LEU   5  -3.514  -0.146  -4.021
   38    HB3  LEU   5           HB1      LEU   5  -2.739   1.409  -4.254
   39    HG   LEU   5           HG       LEU   5  -2.147  -1.121  -5.794
   40   HD11  LEU   5          HD11      LEU   5  -3.471   1.454  -6.632
   41   HD12  LEU   5          HD12      LEU   5  -4.281  -0.089  -6.376
   42   HD13  LEU   5          HD13      LEU   5  -3.109   0.083  -7.681
   43   HD21  LEU   5          HD21      LEU   5  -0.709   0.299  -7.176
   44   HD22  LEU   5          HD22      LEU   5  -0.133   0.210  -5.512
   45   HD23  LEU   5          HD23      LEU   5  -0.986   1.648  -6.075
   46    H    CYS   6           HN       CYS   6  -0.439   1.662  -1.693
   47    HA   CYS   6           HA       CYS   6  -2.513   1.320   0.358
   48    HB2  CYS   6           HB2      CYS   6  -0.298   0.326   0.978
   49    HB3  CYS   6           HB1      CYS   6   0.400   1.939   0.871
   50    H    TYR   7           HN       TYR   7  -3.472   3.095   1.123
   51    HA   TYR   7           HA       TYR   7  -2.406   5.690   0.230
   52    HB2  TYR   7           HB2      TYR   7  -5.299   4.815   0.391
   53    HB3  TYR   7           HB1      TYR   7  -4.769   6.460   0.051
   54    HD1  TYR   7           HD1      TYR   7  -3.492   6.921  -2.054
   55    HD2  TYR   7           HD2      TYR   7  -5.354   3.167  -1.319
   56    HE1  TYR   7           HE1      TYR   7  -3.341   6.383  -4.448
   57    HE2  TYR   7           HE2      TYR   7  -5.206   2.619  -3.712
   58    HH   TYR   7           HH       TYR   7  -3.275   4.345  -5.874
   59    H    CYS   8           HN       CYS   8  -1.912   7.003   1.830
   60    HA   CYS   8           HA       CYS   8  -3.378   6.814   4.358
   61    HB2  CYS   8           HB2      CYS   8  -0.361   6.925   4.197
   62    HB3  CYS   8           HB1      CYS   8  -1.341   6.758   5.648
   63    H    ARG   9           HN       ARG   9  -3.967   8.752   5.070
   64    HA   ARG   9           HA       ARG   9  -2.323  11.091   4.572
   65    HB2  ARG   9           HB2      ARG   9  -3.682  10.996   2.541
   66    HB3  ARG   9           HB1      ARG   9  -5.147  10.881   3.503
   67    HG2  ARG   9           HG2      ARG   9  -4.917  13.118   2.663
   68    HG3  ARG   9           HG1      ARG   9  -4.691  13.131   4.412
   69    HD2  ARG   9           HD2      ARG   9  -2.258  13.170   4.080
   70    HD3  ARG   9           HD1      ARG   9  -2.504  13.190   2.335
   71    HE   ARG   9           HE       ARG   9  -3.753  15.334   3.862
   72   HH11  ARG   9          HH11      ARG   9  -1.091  14.293   1.847
   73   HH12  ARG   9          HH12      ARG   9  -0.597  15.905   1.441
   74   HH21  ARG   9          HH21      ARG   9  -3.118  17.462   3.326
   75   HH22  ARG   9          HH22      ARG   9  -1.755  17.718   2.283
   76    H    GLY  10           HN       GLY  10  -2.129  11.681   6.645
   77    HA2  GLY  10           HA2      GLY  10  -2.866  12.924   8.476
   78    HA3  GLY  10           HA1      GLY  10  -4.527  12.632   7.980
   79    H    TRP  11           HN       TRP  11  -5.670  11.163   9.068
   80    HA   TRP  11           HA       TRP  11  -4.206   9.533  11.029
   81    HB2  TRP  11           HB2      TRP  11  -7.067  10.514  11.112
   82    HB3  TRP  11           HB1      TRP  11  -6.275   9.551  12.358
   83    HD1  TRP  11           HD1      TRP  11  -6.589  13.096  11.073
   84    HE1  TRP  11           HE1      TRP  11  -5.341  14.690  12.661
   85    HE3  TRP  11           HE3      TRP  11  -4.197   9.637  13.980
   86    HZ2  TRP  11           HZ2      TRP  11  -3.578  14.504  14.855
   87    HZ3  TRP  11           HZ3      TRP  11  -2.748  10.429  15.804
   88    HH2  TRP  11           HH2      TRP  11  -2.446  12.814  16.230
   89    H    ILE  12           HN       ILE  12  -5.685   9.256   8.120
   90    HA   ILE  12           HA       ILE  12  -6.605   6.527   8.701
   91    HB   ILE  12           HB       ILE  12  -8.436   7.848   7.854
   92   HG12  ILE  12          HG12      ILE  12  -8.986   6.582   5.770
   93   HG13  ILE  12          HG11      ILE  12  -7.337   5.969   5.758
   94   HG21  ILE  12          HG21      ILE  12  -8.393   8.916   5.653
   95   HG22  ILE  12          HG22      ILE  12  -6.689   8.490   5.486
   96   HG23  ILE  12          HG23      ILE  12  -7.197   9.614   6.747
   97   HD11  ILE  12          HD11      ILE  12  -9.375   5.498   7.922
   98   HD12  ILE  12          HD12      ILE  12  -7.725   4.877   7.902
   99   HD13  ILE  12          HD13      ILE  12  -8.880   4.342   6.684
  100    H    CYS  13           HN       CYS  13  -5.407   4.943   7.960
  101    HA   CYS  13           HA       CYS  13  -3.878   5.257   5.496
  102    HB2  CYS  13           HB2      CYS  13  -2.307   5.952   7.216
  103    HB3  CYS  13           HB1      CYS  13  -2.676   4.530   8.176
  104    H    PHE  14           HN       PHE  14  -4.364   3.538   4.286
  105    HA   PHE  14           HA       PHE  14  -4.538   0.914   5.552
  106    HB2  PHE  14           HB2      PHE  14  -6.668   0.366   4.542
  107    HB3  PHE  14           HB1      PHE  14  -6.860   1.828   5.500
  108    HD1  PHE  14           HD1      PHE  14  -7.172   4.001   4.396
  109    HD2  PHE  14           HD2      PHE  14  -6.933   0.380   2.179
  110    HE1  PHE  14           HE1      PHE  14  -8.123   5.142   2.434
  111    HE2  PHE  14           HE2      PHE  14  -7.874   1.508   0.218
  112    HZ   PHE  14           HZ       PHE  14  -8.475   3.895   0.338
  113    H    CYS  15           HN       CYS  15  -4.116  -0.801   4.145
  114    HA   CYS  15           HA       CYS  15  -3.033   0.021   1.539
  115    HB2  CYS  15           HB2      CYS  15  -1.910  -2.187   3.257
  116    HB3  CYS  15           HB1      CYS  15  -1.203  -1.495   1.806
  117    H    VAL  16           HN       VAL  16  -3.600  -1.183  -0.199
  118    HA   VAL  16           HA       VAL  16  -5.178  -3.628   0.302
  119    HB   VAL  16           HB       VAL  16  -5.426  -1.820  -2.106
  120   HG11  VAL  16          HG11      VAL  16  -7.508  -3.057  -2.493
  121   HG12  VAL  16          HG12      VAL  16  -7.165  -4.063  -1.086
  122   HG13  VAL  16          HG13      VAL  16  -6.102  -4.121  -2.492
  123   HG21  VAL  16          HG21      VAL  16  -7.514  -0.993  -1.136
  124   HG22  VAL  16          HG22      VAL  16  -6.129  -0.593  -0.118
  125   HG23  VAL  16          HG23      VAL  16  -7.199  -1.919   0.332
  126    H    GLY  17           HN       GLY  17  -4.182  -5.427  -0.374
  127    HA2  GLY  17           HA2      GLY  17  -2.488  -5.255  -2.774
  128    HA3  GLY  17           HA1      GLY  17  -1.874  -6.031  -1.322
  129    H    ARG  18           HN       ARG  18  -2.242  -7.181  -3.948
  130    HA   ARG  18           HA       ARG  18  -4.335  -9.169  -3.357
  131    HB2  ARG  18           HB2      ARG  18  -3.201  -8.258  -6.006
  132    HB3  ARG  18           HB1      ARG  18  -4.299  -9.619  -5.823
  133    HG2  ARG  18           HG2      ARG  18  -6.032  -8.157  -4.988
  134    HG3  ARG  18           HG1      ARG  18  -4.929  -6.780  -5.040
  135    HD2  ARG  18           HD2      ARG  18  -5.717  -8.409  -7.450
  136    HD3  ARG  18           HD1      ARG  18  -6.517  -6.915  -6.966
  137    HE   ARG  18           HE       ARG  18  -4.100  -5.983  -7.166
  138   HH11  ARG  18          HH11      ARG  18  -5.553  -8.408  -9.233
  139   HH12  ARG  18          HH12      ARG  18  -4.647  -7.939 -10.633
  140   HH21  ARG  18          HH21      ARG  18  -2.911  -5.359  -9.004
  141   HH22  ARG  18          HH22      ARG  18  -3.129  -6.212 -10.502