*HEADER    TRANSCRIPTION                           26-JAN-15   2RV5              
*TITLE     SOLUTION STRUCTURES OF THE DNA-BINDING DOMAIN (ZF8) OF MOUSE IMMUNE-  
*TITLE    2 RELATED ZINC-FINGER PROTEIN ZFAT                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZINC FINGER PROTEIN ZFAT;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 458-485;                                      
*COMPND   5 SYNONYM: ZINC FINGER PROTEIN 406;                                    
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 ORGANISM_TAXID: 10090;                                               
*SOURCE   5 GENE: ZFAT, GM922, ZFAT1, ZFP406, ZNF406;                            
*SOURCE   6 EXPRESSION_SYSTEM: CELL-FREE SYNTHESIS;                              
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: P061010-12                                 
*KEYWDS    ZFAT, ZINC FINGER, TRANSCRIPTION                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.TOCHIO, T.UMEHARA, T.KIGAWA, S.YOKOYAMA                             
*REVDAT   1   08-APR-15 2RV5    0                                                


#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 250., rk3 = 250.,  &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=12,17,15,16, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,19,13,14, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=23,28,26,27, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=21,30,24,25, &end
#
#  chirality for residue 4 atoms:  N C HA2 HA3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 5 atoms:  CA OG HB2 HB3
 &rst iat=41,46,44,45, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=39,48,42,43, &end
#
#  chirality for residue 6 atoms:  CA OG HB2 HB3
 &rst iat=52,57,55,56, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=50,59,53,54, &end
#
#  chirality for residue 7 atoms:  N C HA2 HA3
 &rst iat=61,66,64,65, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=70,75,73,74, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=68,87,71,72, &end
#
#  chirality for residue 9 atoms:  CA CG1 CG2 HB
 &rst iat=91,95,99,94, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=89,103,92,93, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=115,123,118,119, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=127,132,130,131, &end
#
#  chirality for residue 12 atoms:  CB CD1 CD2 HG
 &rst iat=129,134,138,133, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=125,142,128,129, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=156,161,159,160, &end
#
#  chirality for residue 14 atoms:  CB CD1 CD2 HG
 &rst iat=158,163,167,162, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=154,171,157,158, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=175,180,178,179, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=177,183,181,182, &end
#
#  chirality for residue 15 atoms:  CD NZ HE2 HE3
 &rst iat=183,189,187,188, &end
#
#  chirality for residue 15 atoms:  CG CE HD2 HD3
 &rst iat=180,186,184,185, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=173,193,176,177, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=197,202,200,201, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=199,205,203,204, &end
#
#  chirality for residue 16 atoms:  CD NZ HE2 HE3
 &rst iat=205,211,209,210, &end
#
#  chirality for residue 16 atoms:  CG CE HD2 HD3
 &rst iat=202,208,206,207, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=195,215,198,199, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=219,224,222,223, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=217,235,220,221, &end
#
#  chirality for residue 18 atoms:  CA CG1 CG2 HB
 &rst iat=239,243,247,242, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=237,251,240,241, &end
#
#  chirality for residue 19 atoms:  CA OG HB2 HB3
 &rst iat=255,260,258,259, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=253,262,256,257, &end
#
#  chirality for residue 20 atoms:  CA OG HB2 HB3
 &rst iat=266,271,269,270, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=264,273,267,268, &end
#
#  chirality for residue 21 atoms:  CA CG2 CG1 HB
 &rst iat=277,281,285,280, &end
#
#  chirality for residue 21 atoms:  CB CD1 HG12 HG13
 &rst iat=279,288,286,287, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=275,292,278,279, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=296,301,299,300, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=298,304,302,303, &end
#
#  chirality for residue 22 atoms:  CG NE HD2 HD3
 &rst iat=301,307,305,306, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=294,316,297,298, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=320,325,323,324, &end
#
#  chirality for residue 23 atoms:  CB CD1 CD2 HG
 &rst iat=322,327,331,326, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=318,335,321,322, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=339,344,342,343, &end
#
#  chirality for residue 24 atoms:  CB CD HG2 HG3
 &rst iat=341,347,345,346, &end
#
#  chirality for residue 24 atoms:  CG NE HD2 HD3
 &rst iat=344,350,348,349, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=337,359,340,341, &end
#
#  chirality for residue 25 atoms:  CA OG HB2 HB3
 &rst iat=363,368,366,367, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=361,370,364,365, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=374,379,377,378, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=372,387,375,376, &end
#
#  chirality for residue 27 atoms:  CA CG2 CG1 HB
 &rst iat=391,395,399,394, &end
#
#  chirality for residue 27 atoms:  CB CD1 HG12 HG13
 &rst iat=393,402,400,401, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=389,406,392,393, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=410,415,413,414, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=412,418,416,417, &end
#
#  chirality for residue 28 atoms:  CG NE HD2 HD3
 &rst iat=415,421,419,420, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=408,430,411,412, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=434,439,437,438, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=436,442,440,441, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=432,445,435,436, &end
#
#  chirality for residue 30 atoms:  CA CG1 CG2 HB
 &rst iat=449,453,457,452, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=447,461,450,451, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=465,470,468,469, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=463,478,466,467, &end
#
#  chirality for residue 32 atoms:  N C HA2 HA3
 &rst iat=480,485,483,484, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=487,495,490,491, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=497,505,500,501, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=509,514,512,513, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=511,517,515,516, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=507,522,510,511, &end
#
#  trans-omega constraint for residue 2
 &rst iat=12,10,8,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=23,21,19,12, &end
#
#  trans-omega constraint for residue 4
 &rst iat=34,32,30,23, &end
#
#  trans-omega constraint for residue 5
 &rst iat=41,39,37,34, &end
#
#  trans-omega constraint for residue 6
 &rst iat=52,50,48,41, &end
#
#  trans-omega constraint for residue 7
 &rst iat=63,61,59,52, &end
#
#  trans-omega constraint for residue 8
 &rst iat=70,68,66,63, &end
#
#  trans-omega constraint for residue 9
 &rst iat=91,89,87,70, &end
#
#  trans-omega constraint for residue 10
 &rst iat=107,105,103,91, &end
#
#  trans-omega constraint for residue 11
 &rst iat=117,115,113,107, &end
#
#  trans-omega constraint for residue 12
 &rst iat=127,125,123,117, &end
#
#  trans-omega constraint for residue 13
 &rst iat=146,144,142,127, &end
#
#  trans-omega constraint for residue 14
 &rst iat=156,154,152,146, &end
#
#  trans-omega constraint for residue 15
 &rst iat=175,173,171,156, &end
#
#  trans-omega constraint for residue 16
 &rst iat=197,195,193,175, &end
#
#  trans-omega constraint for residue 17
 &rst iat=219,217,215,197, &end
#
#  trans-omega constraint for residue 18
 &rst iat=239,237,235,219, &end
#
#  trans-omega constraint for residue 19
 &rst iat=255,253,251,239, &end
#
#  trans-omega constraint for residue 20
 &rst iat=266,264,262,255, &end
#
#  trans-omega constraint for residue 21
 &rst iat=277,275,273,266, &end
#
#  trans-omega constraint for residue 22
 &rst iat=296,294,292,277, &end
#
#  trans-omega constraint for residue 23
 &rst iat=320,318,316,296, &end
#
#  trans-omega constraint for residue 24
 &rst iat=339,337,335,320, &end
#
#  trans-omega constraint for residue 25
 &rst iat=363,361,359,339, &end
#
#  trans-omega constraint for residue 26
 &rst iat=374,372,370,363, &end
#
#  trans-omega constraint for residue 27
 &rst iat=391,389,387,374, &end
#
#  trans-omega constraint for residue 28
 &rst iat=410,408,406,391, &end
#
#  trans-omega constraint for residue 29
 &rst iat=434,432,430,410, &end
#
#  trans-omega constraint for residue 30
 &rst iat=449,447,445,434, &end
#
#  trans-omega constraint for residue 31
 &rst iat=465,463,461,449, &end
#
#  trans-omega constraint for residue 32
 &rst iat=482,480,478,465, &end
#
#  trans-omega constraint for residue 33
 &rst iat=489,487,485,482, &end
#
#  trans-omega constraint for residue 34
 &rst iat=499,497,495,489, &end
#
#  trans-omega constraint for residue 35
 &rst iat=509,507,505,499, &end
#
# 7 GLY HA2 8 TYR QD 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 igr2=  77,  86,
 &end
#
# 7 GLY HA3 8 TYR QD 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  65,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2=  77,  86,
 &end
#
# 7 GLY QA 16 LYS QE 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=  64,  65,
 igr2= 209, 210,
 &end
#
# 7 GLY QA 8 TYR QD 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1=  64,  65,
 igr2=  77,  86,
 &end
#
# 7 GLY QA 9 VAL QG2 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=  64,  65,
 igr2= 100, 101, 102,
 &end
#
# 8 TYR HA 23 LEU QD2 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 332, 333, 334,
 &end
#
# 8 TYR HA 8 TYR QD 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  77,  86,
 &end
#
# 8 TYR HA 9 VAL HB 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  94, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 8 TYR HA 9 VAL HN 3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  90, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 8 TYR HB2 23 LEU QD2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 332, 333, 334,
 &end
#
# 8 TYR HB2 9 VAL HN 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  90, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 8 TYR HB3 23 LEU QD2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 332, 333, 334,
 &end
#
# 8 TYR HB3 9 VAL HN 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  90, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 8 TYR HN 17 PHE HN 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  69, 218, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 8 TYR HN 23 LEU QD2 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 332, 333, 334,
 &end
#
# 8 TYR HN 8 TYR HB2 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  73, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 8 TYR HN 8 TYR HB3 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  74, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 8 TYR HN 8 TYR QD 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=  77,  86,
 &end
#
# 8 TYR HN 8 TYR QE 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=  79,  84,
 &end
#
# 8 TYR HN 9 VAL QG2 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 100, 101, 102,
 &end
#
# 8 TYR QB 17 PHE HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=  73,  74,
 &end
#
# 8 TYR QD 19 SER HA 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1=  77,  86,
 &end
#
# 8 TYR QD 19 SER HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=  77,  86,
 &end
#
# 8 TYR QD 20 SER HA 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=  77,  86,
 &end
#
# 8 TYR QD 23 LEU QD2 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=  77,  86,
 igr2= 332, 333, 334,
 &end
#
# 8 TYR QD 9 VAL HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=  77,  86,
 &end
#
# 8 TYR QE 19 SER HA 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1=  79,  84,
 &end
#
# 8 TYR QE 19 SER QB 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1=  79,  84,
 igr2= 258, 259,
 &end
#
# 8 TYR QE 20 SER HA 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=  79,  84,
 &end
#
# 8 TYR QE 20 SER QB 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=  79,  84,
 igr2= 269, 270,
 &end
#
# 8 TYR QE 23 LEU QD2 5.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1=  79,  84,
 igr2= 332, 333, 334,
 &end
#
# 9 VAL HA 10 CYM  HN 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 106, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 9 VAL HA 17 PHE HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 218, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 9 VAL HA 9 VAL QG1 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=  96,  97,  98,
 &end
#
# 9 VAL HA 9 VAL QG2 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 100, 101, 102,
 &end
#
# 9 VAL HB 10 CYM  HN 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  94, 106, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 9 VAL HN 23 LEU QD1 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 328, 329, 330,
 &end
#
# 9 VAL HN 23 LEU QD2 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 332, 333, 334,
 &end
#
# 9 VAL HN 9 VAL HB 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  94, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 9 VAL HN 9 VAL QG1 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=  96,  97,  98,
 &end
#
# 9 VAL HN 9 VAL QG2 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 100, 101, 102,
 &end
#
# 9 VAL QG1 10 CYM  HB2 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 111, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=  96,  97,  98,
 &end
#
# 9 VAL QG1 10 CYM  HB3 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 110, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=  96,  97,  98,
 &end
#
# 9 VAL QG1 10 CYM  HN 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  96,  97,  98,
 &end
#
# 9 VAL QG1 14 LEU HA 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1=  96,  97,  98,
 &end
#
# 9 VAL QG1 14 LEU HB2 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  96,  97,  98,
 &end
#
# 9 VAL QG1 14 LEU HB3 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 160, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  96,  97,  98,
 &end
#
# 9 VAL QG1 14 LEU HN 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=  96,  97,  98,
 &end
#
# 9 VAL QG1 14 LEU QB 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  96,  97,  98,
 igr2= 159, 160,
 &end
#
# 9 VAL QG1 15 LYS HB2 5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  96,  97,  98,
 &end
#
# 9 VAL QG1 15 LYS HB3 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=  96,  97,  98,
 &end
#
# 9 VAL QG1 15 LYS HN 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=  96,  97,  98,
 &end
#
# 9 VAL QG1 16 LYS HG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  96,  97,  98,
 &end
#
# 9 VAL QG1 16 LYS HG3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  96,  97,  98,
 &end
#
# 9 VAL QG1 16 LYS QB 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=  96,  97,  98,
 igr2= 200, 201,
 &end
#
# 9 VAL QG1 16 LYS QE 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1=  96,  97,  98,
 igr2= 209, 210,
 &end
#
# 9 VAL QG1 16 LYS QG 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1=  96,  97,  98,
 igr2= 203, 204,
 &end
#
# 9 VAL QG1 17 PHE HN 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1=  96,  97,  98,
 &end
#
# 9 VAL QG1 23 LEU QD1 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1=  96,  97,  98,
 igr2= 328, 329, 330,
 &end
#
# 9 VAL QG1 23 LEU QD2 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1=  96,  97,  98,
 igr2= 332, 333, 334,
 &end
#
# 9 VAL QG2 10 CYM  HN 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 100, 101, 102,
 &end
#
# 9 VAL QG2 14 LEU HA 5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 100, 101, 102,
 &end
#
# 9 VAL QG2 16 LYS HB2 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 100, 101, 102,
 &end
#
# 9 VAL QG2 16 LYS HB3 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 100, 101, 102,
 &end
#
# 9 VAL QG2 16 LYS HG2 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 203, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 100, 101, 102,
 &end
#
# 9 VAL QG2 16 LYS HG3 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 100, 101, 102,
 &end
#
# 9 VAL QG2 16 LYS HN 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 100, 101, 102,
 &end
#
# 9 VAL QG2 16 LYS QD 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 100, 101, 102,
 igr2= 206, 207,
 &end
#
# 9 VAL QG2 16 LYS QE 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 100, 101, 102,
 igr2= 209, 210,
 &end
#
# 9 VAL QG2 16 LYS QG 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 100, 101, 102,
 igr2= 203, 204,
 &end
#
# 9 VAL QG2 17 PHE HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 100, 101, 102,
 &end
#
# 9 VAL QG2 23 LEU QD2 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1= 100, 101, 102,
 igr2= 332, 333, 334,
 &end
#
# 10 CYM  HA 11 ALA QB 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 120, 121, 122,
 &end
#
# 10 CYM  HA 23 LEU QD1 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 328, 329, 330,
 &end
#
# 10 CYM  HB2 13 CYM  HN 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 145, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 10 CYM  HB2 14 LEU HN 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 155, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 10 CYM  HB2 14 LEU QQD 5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
# 10 CYM  HB2 15 LYS HB3 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 179, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 10 CYM  HB2 15 LYS HN 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 174, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 10 CYM  HB2 17 PHE QD 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 226, 234,
 &end
#
# 10 CYM  HB2 17 PHE QE 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 228, 232,
 &end
#
# 10 CYM  HB2 23 LEU QD1 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 328, 329, 330,
 &end
#
# 10 CYM  HB2 26 HIS HD2 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 386, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 10 CYM  HB3 13 CYM  HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 145, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 10 CYM  HB3 14 LEU HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 155, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 10 CYM  HB3 14 LEU QQD 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
# 10 CYM  HB3 15 LYS HB3 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 179, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 10 CYM  HB3 15 LYS HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 174, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 10 CYM  HB3 17 PHE QD 5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 226, 234,
 &end
#
# 10 CYM  HB3 17 PHE QE 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 228, 232,
 &end
#
# 10 CYM  HB3 23 LEU QD1 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 328, 329, 330,
 &end
#
# 10 CYM  HB3 26 HIS HD2 5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 386, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 10 CYM  HN 10 CYM  HB2 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 111, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 10 CYM  HN 10 CYM  HB3 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 110, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 10 CYM  HN 14 LEU HA 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 10 CYM  HN 15 LYS HB2 5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 178, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 10 CYM  HN 15 LYS HB3 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 179, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 10 CYM  HN 15 LYS QG 5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 181, 182,
 &end
#
# 10 CYM  HN 17 PHE QD 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 226, 234,
 &end
#
# 10 CYM  HN 17 PHE QE 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 228, 232,
 &end
#
# 10 CYM  HN 23 LEU QD1 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 328, 329, 330,
 &end
#
# 11 ALA HA 14 LEU QQD 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
# 11 ALA HN 11 ALA QB 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 120, 121, 122,
 &end
#
# 11 ALA HN 12 LEU HN 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 126, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 11 ALA HN 12 LEU QQD 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2= 135, 136, 137, 139, 140, 141,
 &end
#
# 11 ALA HN 14 LEU QQD 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
# 11 ALA HN 23 LEU QD1 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 328, 329, 330,
 &end
#
# 11 ALA QB 12 LEU HA 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 128, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 120, 121, 122,
 &end
#
# 11 ALA QB 12 LEU HN 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 120, 121, 122,
 &end
#
# 11 ALA QB 12 LEU QD1 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr1= 120, 121, 122,
 igr2= 135, 136, 137,
 &end
#
# 11 ALA QB 12 LEU QD2 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr1= 120, 121, 122,
 igr2= 139, 140, 141,
 &end
#
# 11 ALA QB 12 LEU QQD 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 120, 121, 122,
 igr2= 135, 136, 137, 139, 140, 141,
 &end
#
# 11 ALA QB 14 LEU QQD 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 120, 121, 122,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
# 11 ALA QB 23 LEU QD1 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr1= 120, 121, 122,
 igr2= 328, 329, 330,
 &end
#
# 11 ALA QB 27 ILE QD1 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 120, 121, 122,
 igr2= 403, 404, 405,
 &end
#
# 12 LEU HA 12 LEU HG 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 133, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 12 LEU HA 12 LEU QD1 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 135, 136, 137,
 &end
#
# 12 LEU HA 12 LEU QD2 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 139, 140, 141,
 &end
#
# 12 LEU HA 12 LEU QQD 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 135, 136, 137, 139, 140, 141,
 &end
#
# 12 LEU HB2 12 LEU QD1 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 135, 136, 137,
 &end
#
# 12 LEU HB2 12 LEU QD2 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 139, 140, 141,
 &end
#
# 12 LEU HB2 13 CYM  HN 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 145, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 12 LEU HB2 31 HIS HE1 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 474, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 12 LEU HB3 12 LEU QD1 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 135, 136, 137,
 &end
#
# 12 LEU HB3 12 LEU QD2 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 139, 140, 141,
 &end
#
# 12 LEU HB3 13 CYM  HN 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 145, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 12 LEU HB3 31 HIS HE1 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 474, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 12 LEU HG 13 CYM  HN 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 133, 145, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 12 LEU HG 27 ILE QG2 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 396, 397, 398,
 &end
#
# 12 LEU HN 12 LEU HB2 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 130, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 12 LEU HN 12 LEU HB3 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 131, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 12 LEU HN 12 LEU HG 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 133, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 12 LEU HN 12 LEU QB 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2= 130, 131,
 &end
#
# 12 LEU HN 12 LEU QD1 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 135, 136, 137,
 &end
#
# 12 LEU HN 12 LEU QD2 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 139, 140, 141,
 &end
#
# 12 LEU HN 12 LEU QQD 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 135, 136, 137, 139, 140, 141,
 &end
#
# 12 LEU HN 13 CYM  HN 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 145, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 12 LEU HN 14 LEU HN 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 155, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 12 LEU HN 14 LEU QQD 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
# 12 LEU QB 13 CYM  HB2 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 150, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 130, 131,
 &end
#
# 12 LEU QB 13 CYM  HB3 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 130, 131,
 &end
#
# 12 LEU QB 13 CYM  HN 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr1= 130, 131,
 &end
#
# 12 LEU QD1 13 CYM  HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 135, 136, 137,
 &end
#
# 12 LEU QD1 27 ILE HB 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 135, 136, 137,
 &end
#
# 12 LEU QD1 27 ILE QD1 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 135, 136, 137,
 igr2= 403, 404, 405,
 &end
#
# 12 LEU QD1 27 ILE QG2 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 135, 136, 137,
 igr2= 396, 397, 398,
 &end
#
# 12 LEU QD1 31 HIS QB 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 135, 136, 137,
 igr2= 468, 469,
 &end
#
# 12 LEU QD1 33 ALA QB 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 135, 136, 137,
 igr2= 492, 493, 494,
 &end
#
# 12 LEU QD2 13 CYM  HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 139, 140, 141,
 &end
#
# 12 LEU QD2 27 ILE HB 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 139, 140, 141,
 &end
#
# 12 LEU QD2 27 ILE QD1 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 139, 140, 141,
 igr2= 403, 404, 405,
 &end
#
# 12 LEU QD2 27 ILE QG2 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 139, 140, 141,
 igr2= 396, 397, 398,
 &end
#
# 12 LEU QD2 31 HIS QB 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 139, 140, 141,
 igr2= 468, 469,
 &end
#
# 12 LEU QD2 33 ALA QB 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 139, 140, 141,
 igr2= 492, 493, 494,
 &end
#
# 12 LEU QQD 13 CYM  HN 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 135, 136, 137, 139, 140, 141,
 &end
#
# 12 LEU QQD 27 ILE HA 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 135, 136, 137, 139, 140, 141,
 &end
#
# 12 LEU QQD 27 ILE HB 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 135, 136, 137, 139, 140, 141,
 &end
#
# 12 LEU QQD 27 ILE QD1 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 135, 136, 137, 139, 140, 141,
 igr2= 403, 404, 405,
 &end
#
# 12 LEU QQD 27 ILE QG2 3.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 135, 136, 137, 139, 140, 141,
 igr2= 396, 397, 398,
 &end
#
# 12 LEU QQD 31 HIS HD2 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 135, 136, 137, 139, 140, 141,
 &end
#
# 12 LEU QQD 31 HIS QB 3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 135, 136, 137, 139, 140, 141,
 igr2= 468, 469,
 &end
#
# 12 LEU QQD 33 ALA QB 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 135, 136, 137, 139, 140, 141,
 igr2= 492, 493, 494,
 &end
#
# 13 CYM  HA 31 HIS HE1 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 474, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 13 CYM  HB2 14 LEU HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 155, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 13 CYM  HB2 31 HIS HE1 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 474, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 13 CYM  HB3 14 LEU HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 155, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 13 CYM  HB3 31 HIS HE1 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 474, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 13 CYM  HN 13 CYM  HB2 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 150, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 13 CYM  HN 13 CYM  HB3 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 149, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 13 CYM  HN 14 LEU HA 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 157, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 13 CYM  HN 14 LEU HN 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 155, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 13 CYM  HN 14 LEU QQD 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
# 13 CYM  HN 15 LYS HN 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 174, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 14 LEU HA 14 LEU HG 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 162, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 14 LEU HA 14 LEU QD1 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 164, 165, 166,
 &end
#
# 14 LEU HA 14 LEU QD2 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 168, 169, 170,
 &end
#
# 14 LEU HA 14 LEU QQD 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
# 14 LEU HB2 14 LEU QD1 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 164, 165, 166,
 &end
#
# 14 LEU HB2 14 LEU QD2 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 168, 169, 170,
 &end
#
# 14 LEU HB3 14 LEU QD1 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 164, 165, 166,
 &end
#
# 14 LEU HB3 14 LEU QD2 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 168, 169, 170,
 &end
#
# 14 LEU HN 14 LEU HB2 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 159, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 14 LEU HN 14 LEU HB3 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 160, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 14 LEU HN 14 LEU HG 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 162, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 14 LEU HN 14 LEU QB 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 159, 160,
 &end
#
# 14 LEU HN 14 LEU QD1 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 164, 165, 166,
 &end
#
# 14 LEU HN 14 LEU QD2 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 168, 169, 170,
 &end
#
# 14 LEU HN 14 LEU QQD 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
# 14 LEU HN 15 LYS HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 174, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 14 LEU QB 14 LEU QQD 2.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 159, 160,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
# 14 LEU QQD 15 LYS HN 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
# 15 LYS HA 15 LYS HG2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 181, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 15 LYS HA 15 LYS HG3 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 182, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 15 LYS HA 15 LYS QG 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 181, 182,
 &end
#
# 15 LYS HA 16 LYS HN 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 196, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 15 LYS HB2 15 LYS HE2 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 187, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 15 LYS HB2 15 LYS HE3 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 188, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 15 LYS HB2 15 LYS QD 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 184, 185,
 &end
#
# 15 LYS HB2 16 LYS HN 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 196, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 15 LYS HB2 17 PHE HZ 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 230, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 15 LYS HB2 17 PHE QE 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 228, 232,
 &end
#
# 15 LYS HB3 17 PHE QD 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 226, 234,
 &end
#
# 15 LYS HB3 17 PHE QE 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 228, 232,
 &end
#
# 15 LYS HG2 15 LYS HE2 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 187, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 15 LYS HG2 15 LYS HE3 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 188, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 15 LYS HG2 16 LYS HN 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 196, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 15 LYS HG3 15 LYS HE2 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 187, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 15 LYS HG3 15 LYS HE3 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 188, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 15 LYS HG3 16 LYS HN 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 196, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 15 LYS HN 15 LYS HB2 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 178, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 15 LYS HN 15 LYS HB3 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 179, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 15 LYS HN 15 LYS HG2 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 181, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 15 LYS HN 15 LYS HG3 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 182, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 15 LYS QD 17 PHE HZ 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 184, 185,
 &end
#
# 15 LYS QD 26 HIS HE1 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 184, 185,
 &end
#
# 15 LYS QG 15 LYS QE 2.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 181, 182,
 igr2= 187, 188,
 &end
#
# 15 LYS QG 16 LYS HN 3.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr1= 181, 182,
 &end
#
# 15 LYS QG 17 PHE QD 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 181, 182,
 igr2= 226, 234,
 &end
#
# 15 LYS QG 26 HIS HE1 5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 181, 182,
 &end
#
# 16 LYS HA 17 PHE HN 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 218, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 16 LYS HB2 16 LYS QE 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 209, 210,
 &end
#
# 16 LYS HB2 17 PHE HN 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 200, 218, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 16 LYS HB3 16 LYS QE 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 209, 210,
 &end
#
# 16 LYS HB3 17 PHE HN 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 218, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 16 LYS HG2 16 LYS QE 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 203,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 209, 210,
 &end
#
# 16 LYS HG2 17 PHE HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 218, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 16 LYS HG3 16 LYS QE 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 209, 210,
 &end
#
# 16 LYS HG3 17 PHE HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 218, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 16 LYS HN 16 LYS QB 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 200, 201,
 &end
#
# 16 LYS HN 16 LYS QD 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 206, 207,
 &end
#
# 16 LYS HN 16 LYS QG 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 203, 204,
 &end
#
# 16 LYS QB 17 PHE HN 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 200, 201,
 &end
#
# 16 LYS QD 16 LYS QE 2.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1= 206, 207,
 igr2= 209, 210,
 &end
#
# 16 LYS QD 17 PHE HN 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 206, 207,
 &end
#
# 16 LYS QG 17 PHE HN 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 203, 204,
 &end
#
# 17 PHE HB2 19 SER HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 254, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 17 PHE HB3 19 SER HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 254, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 17 PHE HN 17 PHE HB2 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 222, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 17 PHE HN 17 PHE HB3 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 223, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 17 PHE HN 17 PHE QB 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 222, 223,
 &end
#
# 17 PHE HN 17 PHE QD 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 226, 234,
 &end
#
# 17 PHE HN 17 PHE QE 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 228, 232,
 &end
#
# 17 PHE HN 23 LEU QD2 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 332, 333, 334,
 &end
#
# 17 PHE QB 18 VAL QG1 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 222, 223,
 igr2= 244, 245, 246,
 &end
#
# 17 PHE QB 19 SER HN 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 222, 223,
 &end
#
# 17 PHE QB 22 ARG HN 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 222, 223,
 &end
#
# 17 PHE QB 22 ARG QB 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 222, 223,
 igr2= 299, 300,
 &end
#
# 17 PHE QB 23 LEU HN 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 222, 223,
 &end
#
# 17 PHE QB 23 LEU QD1 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 222, 223,
 igr2= 328, 329, 330,
 &end
#
# 17 PHE QD 19 SER HN 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 226, 234,
 &end
#
# 17 PHE QD 22 ARG HB2 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 226, 234,
 &end
#
# 17 PHE QD 22 ARG HB3 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 226, 234,
 &end
#
# 17 PHE QD 22 ARG QB 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 226, 234,
 igr2= 299, 300,
 &end
#
# 17 PHE QD 22 ARG QG 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 226, 234,
 igr2= 302, 303,
 &end
#
# 17 PHE QD 23 LEU HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 226, 234,
 &end
#
# 17 PHE QD 23 LEU QB 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 226, 234,
 igr2= 323, 324,
 &end
#
# 17 PHE QD 23 LEU QD1 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 226, 234,
 igr2= 328, 329, 330,
 &end
#
# 17 PHE QD 23 LEU QD2 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 226, 234,
 igr2= 332, 333, 334,
 &end
#
# 17 PHE QE 23 LEU QD1 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 228, 232,
 igr2= 328, 329, 330,
 &end
#
# 17 PHE QE 26 HIS QB 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 228, 232,
 igr2= 377, 378,
 &end
#
# 18 VAL HA 18 VAL QG1 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 244, 245, 246,
 &end
#
# 18 VAL HA 18 VAL QG2 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 248, 249, 250,
 &end
#
# 18 VAL HB 19 SER HN 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 254, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 18 VAL HN 19 SER HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 254, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 18 VAL QG1 19 SER HB2 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 244, 245, 246,
 &end
#
# 18 VAL QG1 19 SER HB3 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 244, 245, 246,
 &end
#
# 18 VAL QG1 19 SER HN 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 244, 245, 246,
 &end
#
# 18 VAL QG1 19 SER QB 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 244, 245, 246,
 igr2= 258, 259,
 &end
#
# 18 VAL QG1 22 ARG HD2 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 244, 245, 246,
 &end
#
# 18 VAL QG1 22 ARG HD3 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 244, 245, 246,
 &end
#
# 18 VAL QG1 22 ARG QD 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 244, 245, 246,
 igr2= 305, 306,
 &end
#
# 18 VAL QG1 22 ARG QG 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 244, 245, 246,
 igr2= 302, 303,
 &end
#
# 18 VAL QG2 19 SER HN 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 248, 249, 250,
 &end
#
# 18 VAL QG2 19 SER QB 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 248, 249, 250,
 igr2= 258, 259,
 &end
#
# 18 VAL QG2 22 ARG QD 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 248, 249, 250,
 igr2= 305, 306,
 &end
#
# 18 VAL QG2 22 ARG QG 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 248, 249, 250,
 igr2= 302, 303,
 &end
#
# 19 SER HN 19 SER HB2 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 258, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 19 SER HN 19 SER HB3 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 259, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 19 SER HN 22 ARG HB2 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 299, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 19 SER HN 22 ARG HB3 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 300, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 19 SER HN 22 ARG HN 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 295, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 19 SER HN 22 ARG QB 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 299, 300,
 &end
#
# 19 SER HN 22 ARG QG 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 302, 303,
 &end
#
# 19 SER QB 21 ILE QG2 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 258, 259,
 igr2= 282, 283, 284,
 &end
#
# 19 SER QB 22 ARG HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 258, 259,
 &end
#
# 19 SER QB 22 ARG QD 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 258, 259,
 igr2= 305, 306,
 &end
#
# 19 SER QB 22 ARG QG 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 258, 259,
 igr2= 302, 303,
 &end
#
# 20 SER HA 23 LEU HB2 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 323, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 20 SER HA 23 LEU HB3 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 324, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 20 SER HA 23 LEU HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 319, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 20 SER HA 23 LEU QB 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 323, 324,
 &end
#
# 20 SER HA 23 LEU QD1 5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr2= 328, 329, 330,
 &end
#
# 20 SER HA 23 LEU QD2 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 332, 333, 334,
 &end
#
# 20 SER HA 24 ARG HN 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 338, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 21 ILE HA 21 ILE HG12 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 286, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 21 ILE HA 21 ILE HG13 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 287, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 21 ILE HA 21 ILE QD1 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 289, 290, 291,
 &end
#
# 21 ILE HA 21 ILE QG2 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 282, 283, 284,
 &end
#
# 21 ILE HA 23 LEU HN 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 319, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 21 ILE HA 24 ARG HN 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 278, 338, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 21 ILE HA 24 ARG QB 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 342, 343,
 &end
#
# 21 ILE HA 24 ARG QD 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 348, 349,
 &end
#
# 21 ILE HB 21 ILE QD1 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 289, 290, 291,
 &end
#
# 21 ILE HB 22 ARG HN 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 295, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 21 ILE HN 21 ILE QD1 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 289, 290, 291,
 &end
#
# 21 ILE QD1 24 ARG QB 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 289, 290, 291,
 igr2= 342, 343,
 &end
#
# 21 ILE QD1 24 ARG QD 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 289, 290, 291,
 igr2= 348, 349,
 &end
#
# 21 ILE QG1 22 ARG HN 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 286, 287,
 &end
#
# 21 ILE QG2 21 ILE HG12 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 282, 283, 284,
 &end
#
# 21 ILE QG2 21 ILE HG13 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 282, 283, 284,
 &end
#
# 21 ILE QG2 21 ILE QG1 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 282, 283, 284,
 igr2= 286, 287,
 &end
#
# 21 ILE QG2 22 ARG HA 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 282, 283, 284,
 &end
#
# 21 ILE QG2 22 ARG HD2 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 282, 283, 284,
 &end
#
# 21 ILE QG2 22 ARG HD3 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 282, 283, 284,
 &end
#
# 21 ILE QG2 22 ARG HN 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 282, 283, 284,
 &end
#
# 21 ILE QG2 22 ARG QD 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 282, 283, 284,
 igr2= 305, 306,
 &end
#
# 21 ILE QG2 22 ARG QG 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 282, 283, 284,
 igr2= 302, 303,
 &end
#
# 21 ILE QG2 24 ARG HN 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 338, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 282, 283, 284,
 &end
#
# 21 ILE QG2 24 ARG QB 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 282, 283, 284,
 igr2= 342, 343,
 &end
#
# 21 ILE QG2 24 ARG QD 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 282, 283, 284,
 igr2= 348, 349,
 &end
#
# 21 ILE QG2 25 SER HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 282, 283, 284,
 &end
#
# 21 ILE QG2 25 SER QB 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 282, 283, 284,
 igr2= 366, 367,
 &end
#
# 22 ARG HA 22 ARG HD2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 305, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 22 ARG HA 22 ARG HD3 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 306, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 22 ARG HA 22 ARG QG 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 302, 303,
 &end
#
# 22 ARG HA 25 SER QB 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 366, 367,
 &end
#
# 22 ARG HN 22 ARG HB2 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 299, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 22 ARG HN 22 ARG HB3 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 300, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 22 ARG HN 22 ARG QB 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 299, 300,
 &end
#
# 22 ARG HN 22 ARG QD 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 305, 306,
 &end
#
# 22 ARG HN 22 ARG QG 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 302, 303,
 &end
#
# 22 ARG QG 23 LEU HN 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 302, 303,
 &end
#
# 23 LEU HA 23 LEU QD1 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 328, 329, 330,
 &end
#
# 23 LEU HA 23 LEU QD2 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 332, 333, 334,
 &end
#
# 23 LEU HA 26 HIS QB 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 377, 378,
 &end
#
# 23 LEU HB2 23 LEU QD1 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 328, 329, 330,
 &end
#
# 23 LEU HB2 23 LEU QD2 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 332, 333, 334,
 &end
#
# 23 LEU HB3 23 LEU QD1 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 328, 329, 330,
 &end
#
# 23 LEU HB3 23 LEU QD2 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 332, 333, 334,
 &end
#
# 23 LEU HG 24 ARG HN 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 338, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 23 LEU HG 27 ILE QD1 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 403, 404, 405,
 &end
#
# 23 LEU HN 23 LEU HB2 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 323, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 23 LEU HN 23 LEU HB3 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 324, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 23 LEU HN 23 LEU HG 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 326, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 23 LEU HN 23 LEU QB 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 323, 324,
 &end
#
# 23 LEU HN 23 LEU QD1 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 328, 329, 330,
 &end
#
# 23 LEU HN 23 LEU QD2 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 332, 333, 334,
 &end
#
# 23 LEU HN 24 ARG HA 5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 340, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 23 LEU HN 24 ARG HN 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 338, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 23 LEU HN 24 ARG QG 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 345, 346,
 &end
#
# 23 LEU HN 25 SER HN 5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 362, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 23 LEU QB 23 LEU QD2 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 323, 324,
 igr2= 332, 333, 334,
 &end
#
# 23 LEU QB 24 ARG HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 338, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 323, 324,
 &end
#
# 23 LEU QD1 24 ARG HA 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 328, 329, 330,
 &end
#
# 23 LEU QD1 26 HIS HB2 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 377, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 328, 329, 330,
 &end
#
# 23 LEU QD1 26 HIS HB3 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 328, 329, 330,
 &end
#
# 23 LEU QD1 26 HIS HD2 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 328, 329, 330,
 &end
#
# 23 LEU QD1 26 HIS HN 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 373, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 328, 329, 330,
 &end
#
# 23 LEU QD1 26 HIS QB 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 328, 329, 330,
 igr2= 377, 378,
 &end
#
# 23 LEU QD1 27 ILE HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 328, 329, 330,
 &end
#
# 23 LEU QD1 27 ILE HG12 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 328, 329, 330,
 &end
#
# 23 LEU QD1 27 ILE HG13 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 401, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 328, 329, 330,
 &end
#
# 23 LEU QD1 27 ILE HN 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 328, 329, 330,
 &end
#
# 24 ARG HA 24 ARG HG2 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 345, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 24 ARG HA 24 ARG HG3 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 346, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 24 ARG HA 24 ARG QD 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 348, 349,
 &end
#
# 24 ARG HA 27 ILE HB 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 394, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 24 ARG HA 27 ILE HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 390, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 24 ARG HA 27 ILE QD1 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 403, 404, 405,
 &end
#
# 24 ARG HA 27 ILE QG2 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2= 396, 397, 398,
 &end
#
# 24 ARG HA 28 ARG HN 5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 409, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 24 ARG HN 24 ARG HG2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 345, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 24 ARG HN 24 ARG HG3 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 346, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 24 ARG HN 24 ARG QB 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 342, 343,
 &end
#
# 24 ARG HN 24 ARG QD 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 348, 349,
 &end
#
# 24 ARG HN 24 ARG QG 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 345, 346,
 &end
#
# 24 ARG HN 25 SER HN 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 362, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 24 ARG QB 24 ARG QD 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 342, 343,
 igr2= 348, 349,
 &end
#
# 24 ARG QB 25 SER HN 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 342, 343,
 &end
#
# 24 ARG QB 25 SER QB 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 342, 343,
 igr2= 366, 367,
 &end
#
# 24 ARG QB 26 HIS HN 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 373, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 342, 343,
 &end
#
# 24 ARG QB 27 ILE QD1 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 342, 343,
 igr2= 403, 404, 405,
 &end
#
# 24 ARG QD 25 SER HN 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 348, 349,
 &end
#
# 24 ARG QG 25 SER HN 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 345, 346,
 &end
#
# 25 SER HA 28 ARG HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 409, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 25 SER HA 28 ARG QB 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 413, 414,
 &end
#
# 25 SER HA 28 ARG QD 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 419, 420,
 &end
#
# 25 SER HA 29 GLU HN 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 433, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 25 SER HN 25 SER QB 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 366, 367,
 &end
#
# 25 SER HN 26 HIS HN 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 373, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 25 SER HN 28 ARG HG2 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 416, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 25 SER HN 28 ARG HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 SER QB 26 HIS HN 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 373, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 366, 367,
 &end
#
# 25 SER QB 26 HIS QB 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 366, 367,
 igr2= 377, 378,
 &end
#
# 26 HIS HA 29 GLU HN 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 433, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 26 HIS HA 29 GLU QB 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 437, 438,
 &end
#
# 26 HIS HA 30 VAL HN 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 448, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 26 HIS HA 30 VAL QQG 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 454, 455, 456, 458, 459, 460,
 &end
#
# 26 HIS HB2 27 ILE HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 390, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 26 HIS HB3 27 ILE HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 390, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 26 HIS HD2 27 ILE HA 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 392, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 26 HIS HD2 27 ILE HG12 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 400, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 26 HIS HD2 27 ILE HG13 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 401, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 26 HIS HD2 27 ILE HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 390, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 26 HIS HD2 27 ILE QD1 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 403, 404, 405,
 &end
#
# 26 HIS HD2 27 ILE QG2 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 396, 397, 398,
 &end
#
# 26 HIS HE1 30 VAL QG1 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 454, 455, 456,
 &end
#
# 26 HIS HE1 30 VAL QG2 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 458, 459, 460,
 &end
#
# 26 HIS HN 26 HIS HB2 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 377, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 26 HIS HN 26 HIS HB3 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 378, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 26 HIS HN 26 HIS HD2 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 386, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 26 HIS HN 26 HIS QB 3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr2= 377, 378,
 &end
#
# 26 HIS HN 27 ILE HN 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 390, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 26 HIS HN 28 ARG HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 409, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 26 HIS QB 27 ILE HN 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 377, 378,
 &end
#
# 27 ILE HA 27 ILE HG12 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 400, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 27 ILE HA 27 ILE QD1 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 403, 404, 405,
 &end
#
# 27 ILE HA 27 ILE QG2 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 396, 397, 398,
 &end
#
# 27 ILE HA 30 VAL QQG 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2= 454, 455, 456, 458, 459, 460,
 &end
#
# 27 ILE HA 31 HIS HD2 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 477, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 27 ILE HA 31 HIS HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 464, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 27 ILE HA 31 HIS QB 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 468, 469,
 &end
#
# 27 ILE HB 27 ILE QD1 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 403, 404, 405,
 &end
#
# 27 ILE HB 28 ARG HN 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 394, 409, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 27 ILE HB 33 ALA QB 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 492, 493, 494,
 &end
#
# 27 ILE HG12 28 ARG HN 5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 409, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 27 ILE HG12 31 HIS HD2 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 477, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 27 ILE HG13 28 ARG HN 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 409, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 27 ILE HG13 31 HIS HD2 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 477, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 27 ILE HN 27 ILE HB 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 394, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 27 ILE HN 27 ILE HG12 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 27 ILE HN 27 ILE HG13 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 401, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 27 ILE HN 27 ILE QD1 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 403, 404, 405,
 &end
#
# 27 ILE HN 27 ILE QG2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 396, 397, 398,
 &end
#
# 27 ILE HN 28 ARG HA 5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 411, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
# 27 ILE HN 28 ARG HN 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 409, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 27 ILE HN 31 HIS HD2 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 477, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 27 ILE QD1 28 ARG HN 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 409, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 403, 404, 405,
 &end
#
# 27 ILE QD1 28 ARG QD 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 403, 404, 405,
 igr2= 419, 420,
 &end
#
# 27 ILE QD1 31 HIS HD2 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 403, 404, 405,
 &end
#
# 27 ILE QD1 31 HIS QB 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 403, 404, 405,
 igr2= 468, 469,
 &end
#
# 27 ILE QG2 27 ILE HG12 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1= 396, 397, 398,
 &end
#
# 27 ILE QG2 27 ILE HG13 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 401, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 396, 397, 398,
 &end
#
# 27 ILE QG2 28 ARG HA 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 396, 397, 398,
 &end
#
# 27 ILE QG2 28 ARG HG2 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 416, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 396, 397, 398,
 &end
#
# 27 ILE QG2 28 ARG HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 409, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 396, 397, 398,
 &end
#
# 27 ILE QG2 28 ARG QB 5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1= 396, 397, 398,
 igr2= 413, 414,
 &end
#
# 27 ILE QG2 28 ARG QD 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 396, 397, 398,
 igr2= 419, 420,
 &end
#
# 27 ILE QG2 31 HIS HD2 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 396, 397, 398,
 &end
#
# 27 ILE QG2 31 HIS HN 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 396, 397, 398,
 &end
#
# 27 ILE QG2 31 HIS QB 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 396, 397, 398,
 igr2= 468, 469,
 &end
#
# 27 ILE QG2 32 GLY HN 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 396, 397, 398,
 &end
#
# 27 ILE QG2 32 GLY QA 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 396, 397, 398,
 igr2= 483, 484,
 &end
#
# 27 ILE QG2 33 ALA HN 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 396, 397, 398,
 &end
#
# 27 ILE QG2 33 ALA QB 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 396, 397, 398,
 igr2= 492, 493, 494,
 &end
#
# 28 ARG HA 28 ARG HG2 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 416, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 28 ARG HA 28 ARG HG3 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 417, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 28 ARG HA 28 ARG QD 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 419, 420,
 &end
#
# 28 ARG HA 31 HIS HN 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 464, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 28 ARG HA 31 HIS QB 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 468, 469,
 &end
#
# 28 ARG HA 33 ALA HN 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 411, 488, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 28 ARG HA 33 ALA QB 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 492, 493, 494,
 &end
#
# 28 ARG HG2 29 GLU HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 416, 433, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 28 ARG HG3 29 GLU HN 5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 433, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 28 ARG HN 28 ARG HG2 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 416, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 28 ARG HN 28 ARG HG3 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 417, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 28 ARG HN 28 ARG QB 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 413, 414,
 &end
#
# 28 ARG HN 28 ARG QD 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 409,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 419, 420,
 &end
#
# 28 ARG HN 29 GLU HN 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 433, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 28 ARG QB 28 ARG QD 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 413, 414,
 igr2= 419, 420,
 &end
#
# 28 ARG QB 29 GLU HN 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 413, 414,
 &end
#
# 28 ARG QB 30 VAL HN 5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 413, 414,
 &end
#
# 28 ARG QB 31 HIS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 413, 414,
 &end
#
# 28 ARG QB 32 GLY HN 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 413, 414,
 &end
#
# 28 ARG QB 32 GLY QA 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 413, 414,
 igr2= 483, 484,
 &end
#
# 28 ARG QD 29 GLU HN 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 419, 420,
 &end
#
# 29 GLU HA 29 GLU HG2 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 440, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 29 GLU HA 29 GLU HG3 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 435, 441, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 29 GLU HA 30 VAL QQG 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2= 454, 455, 456, 458, 459, 460,
 &end
#
# 29 GLU HB2 30 VAL HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 448, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 29 GLU HB3 30 VAL HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 448, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 29 GLU HN 29 GLU HB2 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 437, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 29 GLU HN 29 GLU HB3 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 438, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 29 GLU HN 29 GLU HG2 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 440, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 29 GLU HN 29 GLU HG3 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 441, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 29 GLU HN 29 GLU QB 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 437, 438,
 &end
#
# 29 GLU HN 29 GLU QG 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 440, 441,
 &end
#
# 29 GLU HN 30 VAL HN 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 448, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 29 GLU HN 30 VAL QQG 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 454, 455, 456, 458, 459, 460,
 &end
#
# 29 GLU HN 31 HIS HN 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 464, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 29 GLU QB 30 VAL HN 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 437, 438,
 &end
#
# 29 GLU QB 30 VAL QQG 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 437, 438,
 igr2= 454, 455, 456, 458, 459, 460,
 &end
#
# 29 GLU QG 30 VAL HN 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 440, 441,
 &end
#
# 29 GLU QG 30 VAL QQG 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 440, 441,
 igr2= 454, 455, 456, 458, 459, 460,
 &end
#
# 30 VAL HA 30 VAL QG1 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 454, 455, 456,
 &end
#
# 30 VAL HA 30 VAL QG2 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 458, 459, 460,
 &end
#
# 30 VAL HA 30 VAL QQG 2.91
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 454, 455, 456, 458, 459, 460,
 &end
#
# 30 VAL HA 32 GLY HN 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 481, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 30 VAL HB 31 HIS HN 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 464, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 30 VAL HB 32 GLY HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 30 VAL HN 30 VAL HB 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 452, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 30 VAL HN 30 VAL QG1 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 454, 455, 456,
 &end
#
# 30 VAL HN 30 VAL QG2 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 458, 459, 460,
 &end
#
# 30 VAL HN 30 VAL QQG 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 454, 455, 456, 458, 459, 460,
 &end
#
# 30 VAL HN 31 HIS HN 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 464, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 30 VAL HN 31 HIS QB 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 468, 469,
 &end
#
# 30 VAL HN 32 GLY HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 481, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 30 VAL QG1 31 HIS HN 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 454, 455, 456,
 &end
#
# 30 VAL QG2 31 HIS HN 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 458, 459, 460,
 &end
#
# 30 VAL QQG 31 HIS HE1 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 454, 455, 456, 458, 459, 460,
 &end
#
# 30 VAL QQG 31 HIS QB 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 454, 455, 456, 458, 459, 460,
 igr2= 468, 469,
 &end
#
# 30 VAL QQG 32 GLY HN 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 454, 455, 456, 458, 459, 460,
 &end
#
# 31 HIS HN 31 HIS HD2 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 477, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 31 HIS HN 31 HIS QB 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 468, 469,
 &end
#
# 31 HIS HN 32 GLY HN 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 481, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 31 HIS HN 32 GLY QA 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 483, 484,
 &end
#
# 31 HIS QB 32 GLY HN 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 481, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 468, 469,
 &end
#
# 31 HIS QB 32 GLY QA 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 468, 469,
 igr2= 483, 484,
 &end
#
# 31 HIS QB 33 ALA QB 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 468, 469,
 igr2= 492, 493, 494,
 &end
#
# 32 GLY HN 32 GLY QA 2.87
 &rst
  ixpk= 0, nxpk= 0, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
 igr2= 483, 484,
 &end
#
# 32 GLY HN 33 ALA HN 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 488, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 32 GLY HN 33 ALA QB 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 492, 493, 494,
 &end
#
# 32 GLY QA 33 ALA QB 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 483, 484,
 igr2= 492, 493, 494,
 &end
#
# 33 ALA HN 33 ALA QB 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 492, 493, 494,
 &end
#
# 33 ALA HN 34 ALA HN 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 498, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 33 ALA QB 34 ALA HN 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 492, 493, 494,
 &end
#
# 34 ALA HA 35 GLN HN 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 508, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 34 ALA HN 34 ALA QB 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 502, 503, 504,
 &end
#
# 34 ALA HN 35 GLN HN 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 508, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 34 ALA QB 35 GLN HN 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 502, 503, 504,
 &end
#
# 35 GLN HA 35 GLN QG 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 515, 516,
 &end
#
# 35 GLN HN 35 GLN QB 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 512, 513,
 &end
#
# 35 GLN HN 35 GLN QG 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 515, 516,
 &end
# 525 atoms read from pdb file leap.pdb.
# 9 VAL PHI:  (8 TYR C)-(9 VAL N)-(9 VAL CA)-(9 VAL C) -133.2 -73.2
 &rst     iat =    87,    89,    91,   103,
   r1 = -134.2, r2 = -133.2, r3 = -73.2, r4 = -72.2,
   rk2 = 60.0, rk3 = 60.0,    &end
# 9 VAL PSI:  (9 VAL N)-(9 VAL CA)-(9 VAL C)-(10 CYM N)  92.3 152.3
 &rst     iat =    89,    91,   103,   105,
   r1 =  91.3, r2 =  92.3, r3 = 152.3, r4 = 153.3,
 &end
# 11 ALA PHI:  (10 CYM C)-(11 ALA N)-(11 ALA CA)-(11 ALA C) -96.8 -36.8
 &rst     iat =   113,   115,   117,   123,
   r1 = -97.8, r2 = -96.8, r3 = -36.8, r4 = -35.8,
 &end
# 11 ALA PSI:  (11 ALA N)-(11 ALA CA)-(11 ALA C)-(12 LEU N) -60.4  -0.3
 &rst     iat =   115,   117,   123,   125,
   r1 = -61.4, r2 = -60.4, r3 =  -0.3, r4 =   0.7,
 &end
# 16 LYS PHI:  (15 LYS C)-(16 LYS N)-(16 LYS CA)-(16 LYS C) -135.0 -75.0
 &rst     iat =   193,   195,   197,   215,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end
# 16 LYS PSI:  (16 LYS N)-(16 LYS CA)-(16 LYS C)-(17 PHE N) 110.0 170.0
 &rst     iat =   195,   197,   215,   217,
   r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
 &end
# 17 PHE PHI:  (16 LYS C)-(17 PHE N)-(17 PHE CA)-(17 PHE C) -142.0 -82.0
 &rst     iat =   215,   217,   219,   235,
   r1 = -143.0, r2 = -142.0, r3 = -82.0, r4 = -81.0,
 &end
# 17 PHE PSI:  (17 PHE N)-(17 PHE CA)-(17 PHE C)-(18 VAL N) 116.0 176.0
 &rst     iat =   217,   219,   235,   237,
   r1 = 115.0, r2 = 116.0, r3 = 176.0, r4 = 177.0,
 &end
# 20 SER PHI:  (19 SER C)-(20 SER N)-(20 SER CA)-(20 SER C) -90.8 -30.8
 &rst     iat =   262,   264,   266,   273,
   r1 = -91.8, r2 = -90.8, r3 = -30.8, r4 = -29.8,
 &end
# 20 SER PSI:  (20 SER N)-(20 SER CA)-(20 SER C)-(21 ILE N) -69.3  -9.3
 &rst     iat =   264,   266,   273,   275,
   r1 = -70.3, r2 = -69.3, r3 =  -9.3, r4 =  -8.3,
 &end
# 21 ILE PHI:  (20 SER C)-(21 ILE N)-(21 ILE CA)-(21 ILE C) -98.7 -38.7
 &rst     iat =   273,   275,   277,   292,
   r1 = -99.7, r2 = -98.7, r3 = -38.7, r4 = -37.7,
 &end
# 21 ILE PSI:  (21 ILE N)-(21 ILE CA)-(21 ILE C)-(22 ARG N) -67.2  -7.2
 &rst     iat =   275,   277,   292,   294,
   r1 = -68.2, r2 = -67.2, r3 =  -7.2, r4 =  -6.2,
 &end
# 22 ARG PHI:  (21 ILE C)-(22 ARG N)-(22 ARG CA)-(22 ARG C) -99.0 -39.0
 &rst     iat =   292,   294,   296,   316,
   r1 = -100.0, r2 = -99.0, r3 = -39.0, r4 = -38.0,
 &end
# 22 ARG PSI:  (22 ARG N)-(22 ARG CA)-(22 ARG C)-(23 LEU N) -67.3  -7.3
 &rst     iat =   294,   296,   316,   318,
   r1 = -68.3, r2 = -67.3, r3 =  -7.3, r4 =  -6.3,
 &end
# 23 LEU PHI:  (22 ARG C)-(23 LEU N)-(23 LEU CA)-(23 LEU C) -98.0 -38.0
 &rst     iat =   316,   318,   320,   335,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end
# 23 LEU PSI:  (23 LEU N)-(23 LEU CA)-(23 LEU C)-(24 ARG N) -66.4  -6.4
 &rst     iat =   318,   320,   335,   337,
   r1 = -67.4, r2 = -66.4, r3 =  -6.4, r4 =  -5.4,
 &end
# 24 ARG PHI:  (23 LEU C)-(24 ARG N)-(24 ARG CA)-(24 ARG C) -89.9 -29.9
 &rst     iat =   335,   337,   339,   359,
   r1 = -90.9, r2 = -89.9, r3 = -29.9, r4 = -28.9,
 &end
# 24 ARG PSI:  (24 ARG N)-(24 ARG CA)-(24 ARG C)-(25 SER N) -70.8 -10.8
 &rst     iat =   337,   339,   359,   361,
   r1 = -71.8, r2 = -70.8, r3 = -10.8, r4 =  -9.8,
 &end
# 25 SER PHI:  (24 ARG C)-(25 SER N)-(25 SER CA)-(25 SER C) -99.0 -39.0
 &rst     iat =   359,   361,   363,   370,
   r1 = -100.0, r2 = -99.0, r3 = -39.0, r4 = -38.0,
 &end
# 25 SER PSI:  (25 SER N)-(25 SER CA)-(25 SER C)-(26 HID N) -65.5  -5.5
 &rst     iat =   361,   363,   370,   372,
   r1 = -66.5, r2 = -65.5, r3 =  -5.5, r4 =  -4.5,
 &end
# 26 HIS PHI:  (25 SER C)-(26 HID N)-(26 HID CA)-(26 HID C) -97.0 -37.0
 &rst     iat =   370,   372,   374,   387,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end
# 26 HIS PSI:  (26 HID N)-(26 HID CA)-(26 HID C)-(27 ILE N) -72.5 -12.5
 &rst     iat =   372,   374,   387,   389,
   r1 = -73.5, r2 = -72.5, r3 = -12.5, r4 = -11.5,
 &end
# 27 ILE PHI:  (26 HID C)-(27 ILE N)-(27 ILE CA)-(27 ILE C) -95.0 -35.0
 &rst     iat =   387,   389,   391,   406,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 27 ILE PSI:  (27 ILE N)-(27 ILE CA)-(27 ILE C)-(28 ARG N) -70.6 -10.6
 &rst     iat =   389,   391,   406,   408,
   r1 = -71.6, r2 = -70.6, r3 = -10.6, r4 =  -9.6,
 &end
# 28 ARG PHI:  (27 ILE C)-(28 ARG N)-(28 ARG CA)-(28 ARG C) -91.9 -31.9
 &rst     iat =   406,   408,   410,   430,
   r1 = -92.9, r2 = -91.9, r3 = -31.9, r4 = -30.9,
 &end
# 28 ARG PSI:  (28 ARG N)-(28 ARG CA)-(28 ARG C)-(29 GLU N) -67.8  -7.8
 &rst     iat =   408,   410,   430,   432,
   r1 = -68.8, r2 = -67.8, r3 =  -7.8, r4 =  -6.8,
 &end
#
#  10 CYM  SG   13 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 151, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46, 
      rk2=1000, rk3=1000, ir6=1, ialtd=0,
 &end
#
#  10 CYM  SG   26 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 384, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  10 CYM  SG   31 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 475, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  10 CYM  CB   36  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 525, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  10 CYM  SG   36  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 525, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  13 CYM  SG   26 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 384, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  13 CYM  SG   31 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 475, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  13 CYM  CB   36  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 525, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  13 CYM  SG   36  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 525, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  26 HID NE2   31 HID NE2   3.00  3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 475, r1= 2.50, r2= 3.00, r3= 3.60, r4= 4.10,  &end
#
#  26 HID NE2   36  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 525, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#  31 HID NE2   36  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 475, 525, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1H       GLY   1  -7.630   0.995 -12.527
    2    H2   GLY   1           2H       GLY   1  -8.276   2.271 -11.725
    3    H3   GLY   1           3H       GLY   1  -9.179   0.931 -12.001
    4    HA2  GLY   1           1HA      GLY   1  -6.799   1.068 -10.261
    5    HA3  GLY   1           2HA      GLY   1  -8.478   0.984  -9.705
    6    H    SER   2           H        SER   2  -7.731  -0.929  -8.528
    7    HA   SER   2           HA       SER   2  -7.002  -3.359  -9.962
    8    HB2  SER   2           1HB      SER   2  -6.370  -2.824  -7.588
    9    HB3  SER   2           2HB      SER   2  -8.058  -3.134  -7.125
   10    HG   SER   2           HG       SER   2  -6.678  -4.994  -6.929
   11    H    SER   3           H        SER   3  -8.268  -5.365  -9.893
   12    HA   SER   3           HA       SER   3 -11.049  -4.947 -10.783
   13    HB2  SER   3           1HB      SER   3  -9.518  -6.472 -11.998
   14    HB3  SER   3           2HB      SER   3  -9.454  -7.521 -10.566
   15    HG   SER   3           HG       SER   3 -11.054  -8.180 -12.106
   16    H    GLY   4           H        GLY   4 -12.803  -5.202  -9.543
   17    HA2  GLY   4           1HA      GLY   4 -14.160  -5.616  -7.710
   18    HA3  GLY   4           2HA      GLY   4 -13.094  -6.951  -7.281
   19    H    SER   5           H        SER   5 -13.526  -6.318  -5.082
   20    HA   SER   5           HA       SER   5 -13.011  -5.458  -3.059
   21    HB2  SER   5           1HB      SER   5 -10.733  -6.072  -3.900
   22    HB3  SER   5           2HB      SER   5 -10.487  -4.371  -4.326
   23    HG   SER   5           HG       SER   5  -9.637  -4.741  -2.325
   24    H    SER   6           H        SER   6 -12.217  -3.471  -1.836
   25    HA   SER   6           HA       SER   6 -13.205  -0.884  -2.962
   26    HB2  SER   6           1HB      SER   6 -13.652  -1.858  -0.117
   27    HB3  SER   6           2HB      SER   6 -14.125  -0.282  -0.776
   28    HG   SER   6           HG       SER   6 -15.869  -1.778  -0.759
   29    H    GLY   7           H        GLY   7 -10.462  -2.351  -2.340
   30    HA2  GLY   7           1HA      GLY   7  -8.924  -0.008  -1.746
   31    HA3  GLY   7           2HA      GLY   7  -9.058  -1.013  -0.306
   32    H    TYR   8           H        TYR   8  -6.650  -0.720  -0.917
   33    HA   TYR   8           HA       TYR   8  -5.639  -2.912  -2.702
   34    HB2  TYR   8           1HB      TYR   8  -4.414  -0.196  -2.067
   35    HB3  TYR   8           2HB      TYR   8  -3.690  -1.447  -3.065
   36    HD1  TYR   8           2HD      TYR   8  -6.615   0.889  -2.872
   37    HD2  TYR   8           1HD      TYR   8  -4.174  -1.632  -5.386
   38    HE1  TYR   8           2HE      TYR   8  -7.796   1.752  -4.878
   39    HE2  TYR   8           1HE      TYR   8  -5.327  -0.726  -7.399
   40    HH   TYR   8           HH       TYR   8  -7.978   1.673  -7.155
   41    H    VAL   9           H        VAL   9  -3.732  -4.075  -1.965
   42    HA   VAL   9           HA       VAL   9  -3.351  -3.926   0.996
   43    HB   VAL   9           HB       VAL   9  -3.452  -6.470  -0.645
   44   HG11  VAL   9          1HG1      VAL   9  -3.674  -7.531   1.606
   45   HG12  VAL   9          2HG1      VAL   9  -2.147  -6.673   1.440
   46   HG13  VAL   9          3HG1      VAL   9  -3.460  -5.939   2.367
   47   HG21  VAL   9          3HG2      VAL   9  -5.629  -6.902   0.435
   48   HG22  VAL   9          1HG2      VAL   9  -5.587  -5.292   1.178
   49   HG23  VAL   9          2HG2      VAL   9  -5.720  -5.471  -0.589
   50    H    CYS  10           H        CYS  10  -1.414  -4.179   1.870
   51    HA   CYS  10           HA       CYS  10   1.032  -3.810   0.471
   52    HB2  CYS  10           1HB      CYS  10   0.476  -3.244   2.829
   53    HB3  CYS  10           2HB      CYS  10   0.496  -4.973   3.217
   54    H    ALA  11           H        ALA  11   2.499  -5.158  -0.373
   55    HA   ALA  11           HA       ALA  11   1.865  -8.019  -0.669
   56    HB1  ALA  11           1HB      ALA  11   2.604  -6.690  -2.607
   57    HB2  ALA  11           2HB      ALA  11   4.146  -6.341  -1.794
   58    HB3  ALA  11           3HB      ALA  11   3.737  -8.006  -2.253
   59    H    LEU  12           H        LEU  12   3.422  -6.210   1.686
   60    HA   LEU  12           HA       LEU  12   5.510  -8.265   2.277
   61    HB2  LEU  12           1HB      LEU  12   5.336  -5.380   3.215
   62    HB3  LEU  12           2HB      LEU  12   6.622  -6.531   3.505
   63    HG   LEU  12           HG       LEU  12   6.922  -6.575   0.907
   64   HD11  LEU  12          1HD1      LEU  12   4.938  -5.252   0.183
   65   HD12  LEU  12          2HD1      LEU  12   6.409  -4.359  -0.168
   66   HD13  LEU  12          3HD1      LEU  12   5.425  -3.916   1.236
   67   HD21  LEU  12          3HD2      LEU  12   8.470  -5.574   2.554
   68   HD22  LEU  12          1HD2      LEU  12   7.482  -4.101   2.558
   69   HD23  LEU  12          2HD2      LEU  12   8.374  -4.569   1.092
   70    H    CYS  13           H        CYS  13   3.285  -6.092   4.007
   71    HA   CYS  13           HA       CYS  13   3.129  -8.054   6.250
   72    HB2  CYS  13           1HB      CYS  13   2.568  -6.332   7.747
   73    HB3  CYS  13           2HB      CYS  13   4.056  -5.951   6.901
   74    H    LEU  14           H        LEU  14   1.293  -7.354   3.637
   75    HA   LEU  14           HA       LEU  14  -0.803  -7.784   2.977
   76    HB2  LEU  14           1HB      LEU  14  -1.038  -9.654   5.321
   77    HB3  LEU  14           2HB      LEU  14  -1.884  -9.728   3.781
   78    HG   LEU  14           HG       LEU  14   1.081 -10.244   4.262
   79   HD11  LEU  14          1HD1      LEU  14  -1.171 -12.046   3.289
   80   HD12  LEU  14          2HD1      LEU  14  -0.470 -12.047   4.924
   81   HD13  LEU  14          3HD1      LEU  14   0.528 -12.512   3.538
   82   HD21  LEU  14          3HD2      LEU  14   1.159 -10.921   1.852
   83   HD22  LEU  14          1HD2      LEU  14   0.942  -9.190   2.077
   84   HD23  LEU  14          2HD2      LEU  14  -0.451 -10.199   1.627
   85    H    LYS  15           H        LYS  15  -0.513  -5.560   4.907
   86    HA   LYS  15           HA       LYS  15  -3.132  -5.189   6.156
   87    HB2  LYS  15           1HB      LYS  15  -0.965  -4.259   7.001
   88    HB3  LYS  15           2HB      LYS  15  -0.876  -3.278   5.519
   89    HG2  LYS  15           1HG      LYS  15  -2.801  -1.973   6.183
   90    HG3  LYS  15           2HG      LYS  15  -3.188  -3.099   7.502
   91    HD2  LYS  15           1HD      LYS  15  -1.199  -2.440   8.740
   92    HD3  LYS  15           2HD      LYS  15  -0.594  -1.511   7.371
   93    HE2  LYS  15           1HE      LYS  15  -1.476   0.042   8.957
   94    HE3  LYS  15           2HE      LYS  15  -2.542   0.035   7.548
   95    HZ1  LYS  15           3HZ      LYS  15  -3.785  -0.017   9.647
   96    HZ2  LYS  15           1HZ      LYS  15  -3.075  -1.414  10.093
   97    HZ3  LYS  15           2HZ      LYS  15  -4.081  -1.378   8.802
   98    H    LYS  16           H        LYS  16  -4.839  -3.948   5.429
   99    HA   LYS  16           HA       LYS  16  -4.856  -3.222   2.554
  100    HB2  LYS  16           1HB      LYS  16  -6.502  -4.833   3.513
  101    HB3  LYS  16           2HB      LYS  16  -7.223  -3.510   4.436
  102    HG2  LYS  16           1HG      LYS  16  -7.924  -2.375   2.410
  103    HG3  LYS  16           2HG      LYS  16  -6.911  -3.421   1.401
  104    HD2  LYS  16           1HD      LYS  16  -8.289  -5.390   2.156
  105    HD3  LYS  16           2HD      LYS  16  -9.385  -4.250   2.968
  106    HE2  LYS  16           1HE      LYS  16  -9.874  -3.166   0.803
  107    HE3  LYS  16           2HE      LYS  16  -8.676  -4.192  -0.001
  108    HZ1  LYS  16           3HZ      LYS  16 -11.206  -5.135   1.240
  109    HZ2  LYS  16           1HZ      LYS  16 -10.052  -6.134   0.650
  110    HZ3  LYS  16           2HZ      LYS  16 -10.833  -5.129  -0.363
  111    H    PHE  17           H        PHE  17  -5.612  -1.360   1.736
  112    HA   PHE  17           HA       PHE  17  -5.727   1.090   3.435
  113    HB2  PHE  17           1HB      PHE  17  -3.961   0.571   1.000
  114    HB3  PHE  17           2HB      PHE  17  -4.206   2.151   1.731
  115    HD1  PHE  17           2HD      PHE  17  -3.441   2.625   4.060
  116    HD2  PHE  17           1HD      PHE  17  -2.469  -1.069   2.044
  117    HE1  PHE  17           2HE      PHE  17  -1.729   2.128   5.788
  118    HE2  PHE  17           1HE      PHE  17  -0.757  -1.551   3.768
  119    HZ   PHE  17           HZ       PHE  17  -0.421   0.022   5.659
  120    H    VAL  18           H        VAL  18  -6.726   2.886   2.497
  121    HA   VAL  18           HA       VAL  18  -9.018   2.287   0.892
  122    HB   VAL  18           HB       VAL  18  -8.911   3.929   2.734
  123   HG11  VAL  18          1HG1      VAL  18  -7.517   5.790   0.764
  124   HG12  VAL  18          2HG1      VAL  18  -8.090   6.191   2.392
  125   HG13  VAL  18          3HG1      VAL  18  -6.761   5.046   2.191
  126   HG21  VAL  18          3HG2      VAL  18 -10.770   3.966   1.094
  127   HG22  VAL  18          1HG2      VAL  18 -10.430   5.549   1.816
  128   HG23  VAL  18          2HG2      VAL  18  -9.898   5.205   0.161
  129    H    SER  19           H        SER  19  -5.839   3.367  -0.079
  130    HA   SER  19           HA       SER  19  -6.719   3.475  -2.891
  131    HB2  SER  19           1HB      SER  19  -6.380   5.645  -3.288
  132    HB3  SER  19           2HB      SER  19  -6.638   5.847  -1.547
  133    HG   SER  19           HG       SER  19  -4.765   6.893  -2.372
  134    H    SER  20           H        SER  20  -4.949   3.564  -4.443
  135    HA   SER  20           HA       SER  20  -2.763   1.799  -3.832
  136    HB2  SER  20           1HB      SER  20  -1.998   2.404  -6.110
  137    HB3  SER  20           2HB      SER  20  -3.699   1.909  -6.055
  138    HG   SER  20           HG       SER  20  -3.403   3.810  -7.313
  139    H    ILE  21           H        ILE  21  -3.065   5.352  -3.851
  140    HA   ILE  21           HA       ILE  21  -0.224   5.905  -3.529
  141    HB   ILE  21           HB       ILE  21  -2.733   7.503  -2.922
  142   HG12  ILE  21          1HG1      ILE  21  -2.281   7.159  -5.312
  143   HG13  ILE  21          2HG1      ILE  21  -2.177   8.841  -4.831
  144   HG21  ILE  21          1HG2      ILE  21  -1.222   9.491  -2.661
  145   HG22  ILE  21          2HG2      ILE  21  -1.167   8.332  -1.331
  146   HG23  ILE  21          3HG2      ILE  21   0.148   8.360  -2.528
  147   HD11  ILE  21          3HD1      ILE  21   0.215   7.022  -5.359
  148   HD12  ILE  21          1HD1      ILE  21  -0.420   8.272  -6.438
  149   HD13  ILE  21          2HD1      ILE  21   0.301   8.735  -4.889
  150    H    ARG  22           H        ARG  22  -2.932   5.467  -1.220
  151    HA   ARG  22           HA       ARG  22  -1.313   5.910   1.144
  152    HB2  ARG  22           1HB      ARG  22  -4.022   4.621   0.642
  153    HB3  ARG  22           2HB      ARG  22  -3.238   4.512   2.217
  154    HG2  ARG  22           1HG      ARG  22  -4.688   6.356   2.356
  155    HG3  ARG  22           2HG      ARG  22  -3.041   7.004   2.288
  156    HD2  ARG  22           1HD      ARG  22  -3.435   7.555  -0.138
  157    HD3  ARG  22           2HD      ARG  22  -5.081   6.935   0.051
  158    HE   ARG  22           HE       ARG  22  -5.715   8.838   1.178
  159   HH11  ARG  22          2HH1      ARG  22  -2.214   8.951   0.971
  160   HH12  ARG  22          1HH1      ARG  22  -2.155  10.610   1.499
  161   HH21  ARG  22          2HH2      ARG  22  -5.555  10.937   1.855
  162   HH22  ARG  22          1HH2      ARG  22  -3.996  11.694   1.991
  163    H    LEU  23           H        LEU  23  -1.928   2.992  -0.762
  164    HA   LEU  23           HA       LEU  23  -0.406   1.211   0.930
  165    HB2  LEU  23           1HB      LEU  23  -1.965   0.250  -0.565
  166    HB3  LEU  23           2HB      LEU  23  -1.380   1.187  -1.936
  167    HG   LEU  23           HG       LEU  23   0.693  -0.091  -2.025
  168   HD11  LEU  23          1HD1      LEU  23   1.026  -2.086  -0.683
  169   HD12  LEU  23          2HD1      LEU  23  -0.461  -1.752   0.251
  170   HD13  LEU  23          3HD1      LEU  23   0.950  -0.696   0.389
  171   HD21  LEU  23          3HD2      LEU  23  -0.235  -2.229  -2.750
  172   HD22  LEU  23          1HD2      LEU  23  -1.283  -0.895  -3.263
  173   HD23  LEU  23          2HD2      LEU  23  -1.735  -1.905  -1.864
  174    H    ARG  24           H        ARG  24   0.502   2.988  -2.107
  175    HA   ARG  24           HA       ARG  24   3.167   2.066  -2.273
  176    HB2  ARG  24           1HB      ARG  24   1.843   4.695  -3.058
  177    HB3  ARG  24           2HB      ARG  24   3.536   4.390  -3.425
  178    HG2  ARG  24           1HG      ARG  24   3.073   2.614  -4.926
  179    HG3  ARG  24           2HG      ARG  24   1.441   2.383  -4.306
  180    HD2  ARG  24           1HD      ARG  24   1.224   3.464  -6.414
  181    HD3  ARG  24           2HD      ARG  24   0.819   4.649  -5.154
  182    HE   ARG  24           HE       ARG  24   3.553   4.999  -5.700
  183   HH11  ARG  24          2HH1      ARG  24   0.619   5.313  -7.589
  184   HH12  ARG  24          1HH1      ARG  24   1.312   6.528  -8.627
  185   HH21  ARG  24          2HH2      ARG  24   4.367   6.564  -7.053
  186   HH22  ARG  24          1HH2      ARG  24   3.375   7.213  -8.323
  187    H    SER  25           H        SER  25   2.013   5.005  -0.661
  188    HA   SER  25           HA       SER  25   4.582   5.775   0.373
  189    HB2  SER  25           1HB      SER  25   1.729   6.519   1.069
  190    HB3  SER  25           2HB      SER  25   3.138   7.294   1.836
  191    HG   SER  25           HG       SER  25   3.796   8.043  -0.175
  192    H    HIS  26           H        HIS  26   1.993   3.752   1.863
  193    HA   HIS  26           HA       HIS  26   3.006   3.582   4.500
  194    HB2  HIS  26           1HB      HIS  26   0.961   2.504   4.193
  195    HB3  HIS  26           2HB      HIS  26   1.443   1.731   2.703
  196    HD1  HIS  26           1HD      HIS  26   1.928   1.238   6.487
  197    HD2  HIS  26           2HD      HIS  26   2.533  -0.681   2.794
  198    HE1  HIS  26           1HE      HIS  26   2.468  -1.176   7.043
  199    H    ILE  27           H        ILE  27   3.985   1.703   1.607
  200    HA   ILE  27           HA       ILE  27   5.780  -0.027   2.947
  201    HB   ILE  27           HB       ILE  27   5.997   0.960   0.083
  202   HG12  ILE  27          1HG1      ILE  27   4.560  -1.562   1.035
  203   HG13  ILE  27          2HG1      ILE  27   3.724  -0.060   0.688
  204   HG21  ILE  27          1HG2      ILE  27   7.233  -1.055  -0.370
  205   HG22  ILE  27          2HG2      ILE  27   8.007  -0.274   1.002
  206   HG23  ILE  27          3HG2      ILE  27   6.945  -1.671   1.271
  207   HD11  ILE  27          3HD1      ILE  27   3.545  -1.408  -1.263
  208   HD12  ILE  27          1HD1      ILE  27   4.669  -0.079  -1.633
  209   HD13  ILE  27          2HD1      ILE  27   5.290  -1.716  -1.305
  210    H    ARG  28           H        ARG  28   6.293   3.255   1.702
  211    HA   ARG  28           HA       ARG  28   9.184   3.188   2.116
  212    HB2  ARG  28           1HB      ARG  28   7.622   5.744   1.943
  213    HB3  ARG  28           2HB      ARG  28   9.235   5.362   1.337
  214    HG2  ARG  28           1HG      ARG  28   6.553   4.535   0.192
  215    HG3  ARG  28           2HG      ARG  28   7.682   5.671  -0.524
  216    HD2  ARG  28           1HD      ARG  28   9.171   3.987  -1.190
  217    HD3  ARG  28           2HD      ARG  28   8.484   2.775  -0.088
  218    HE   ARG  28           HE       ARG  28   6.356   3.281  -1.656
  219   HH11  ARG  28          2HH1      ARG  28   9.628   2.231  -2.370
  220   HH12  ARG  28          1HH1      ARG  28   9.138   1.391  -3.824
  221   HH21  ARG  28          2HH2      ARG  28   5.810   2.211  -3.530
  222   HH22  ARG  28          1HH2      ARG  28   7.023   1.360  -4.440
  223    H    GLU  29           H        GLU  29   6.405   4.318   3.980
  224    HA   GLU  29           HA       GLU  29   7.878   5.667   6.048
  225    HB2  GLU  29           1HB      GLU  29   5.075   4.485   5.934
  226    HB3  GLU  29           2HB      GLU  29   5.713   5.321   7.354
  227    HG2  GLU  29           1HG      GLU  29   6.128   7.346   6.026
  228    HG3  GLU  29           2HG      GLU  29   5.508   6.557   4.581
  229    H    VAL  30           H        VAL  30   6.725   2.263   5.830
  230    HA   VAL  30           HA       VAL  30   8.137   1.752   8.426
  231    HB   VAL  30           HB       VAL  30   6.552   0.241   9.040
  232   HG11  VAL  30          1HG1      VAL  30   5.887   2.643   9.257
  233   HG12  VAL  30          2HG1      VAL  30   4.961   2.488   7.744
  234   HG13  VAL  30          3HG1      VAL  30   4.498   1.540   9.172
  235   HG21  VAL  30          3HG2      VAL  30   6.054  -0.999   7.010
  236   HG22  VAL  30          1HG2      VAL  30   4.576  -0.444   7.780
  237   HG23  VAL  30          2HG2      VAL  30   5.186   0.397   6.338
  238    H    HIS  31           H        HIS  31   7.907   0.500   5.153
  239    HA   HIS  31           HA       HIS  31   9.647  -1.810   5.961
  240    HB2  HIS  31           1HB      HIS  31   8.225  -1.415   3.323
  241    HB3  HIS  31           2HB      HIS  31   9.100  -2.832   3.868
  242    HD1  HIS  31           1HD      HIS  31   7.835  -3.621   6.534
  243    HD2  HIS  31           2HD      HIS  31   5.724  -2.069   3.258
  244    HE1  HIS  31           1HE      HIS  31   5.436  -4.395   6.819
  245    H    GLY  32           H        GLY  32   9.792   1.286   4.616
  246    HA2  GLY  32           1HA      GLY  32  11.515   2.573   3.882
  247    HA3  GLY  32           2HA      GLY  32  12.613   1.348   4.530
  248    H    ALA  33           H        ALA  33  10.392   0.634   1.850
  249    HA   ALA  33           HA       ALA  33  12.574  -0.227   0.169
  250    HB1  ALA  33           1HB      ALA  33   9.634   0.148  -0.502
  251    HB2  ALA  33           2HB      ALA  33  10.814  -0.818  -1.406
  252    HB3  ALA  33           3HB      ALA  33  10.344  -1.312   0.234
  253    H    ALA  34           H        ALA  34  13.958   1.371  -0.505
  254    HA   ALA  34           HA       ALA  34  12.956   3.839  -1.771
  255    HB1  ALA  34           1HB      ALA  34  15.768   2.935  -1.019
  256    HB2  ALA  34           2HB      ALA  34  15.260   4.576  -1.492
  257    HB3  ALA  34           3HB      ALA  34  14.681   3.880   0.023
  258    H    GLN  35           H        GLN  35  15.464   3.939  -3.308
  259    HA   GLN  35           HA       GLN  35  15.003   2.110  -5.607
  260    HB2  GLN  35           1HB      GLN  35  14.993   5.155  -5.795
  261    HB3  GLN  35           2HB      GLN  35  15.128   4.054  -7.169
  262    HG2  GLN  35           1HG      GLN  35  12.908   3.064  -6.580
  263    HG3  GLN  35           2HG      GLN  35  12.748   4.237  -5.267
  264   HE21  GLN  35          1HE2      GLN  35  13.023   3.968  -8.859
  265   HE22  GLN  35          2HE2      GLN  35  12.238   5.515  -9.156
  Start of MODEL    2
    1    H1   GLY   1           1H       GLY   1 -12.210 -19.549  -7.260
    2    H2   GLY   1           2H       GLY   1 -10.968 -19.721  -6.207
    3    H3   GLY   1           3H       GLY   1 -11.203 -18.290  -6.970
    4    HA2  GLY   1           1HA      GLY   1 -13.042 -19.494  -5.004
    5    HA3  GLY   1           2HA      GLY   1 -11.936 -18.148  -4.677
    6    H    SER   2           H        SER   2 -15.030 -18.557  -4.847
    7    HA   SER   2           HA       SER   2 -15.903 -16.858  -7.019
    8    HB2  SER   2           1HB      SER   2 -17.447 -17.871  -4.608
    9    HB3  SER   2           2HB      SER   2 -18.131 -17.231  -6.114
   10    HG   SER   2           HG       SER   2 -18.071 -19.531  -6.096
   11    H    SER   3           H        SER   3 -14.807 -16.041  -3.848
   12    HA   SER   3           HA       SER   3 -16.521 -13.862  -3.236
   13    HB2  SER   3           1HB      SER   3 -13.649 -14.312  -2.348
   14    HB3  SER   3           2HB      SER   3 -14.841 -13.249  -1.573
   15    HG   SER   3           HG       SER   3 -14.708 -15.303  -0.543
   16    H    GLY   4           H        GLY   4 -16.454 -11.697  -3.573
   17    HA2  GLY   4           1HA      GLY   4 -14.806 -10.556  -5.707
   18    HA3  GLY   4           2HA      GLY   4 -16.029  -9.730  -4.749
   19    H    SER   5           H        SER   5 -13.793  -8.370  -5.343
   20    HA   SER   5           HA       SER   5 -12.641  -7.820  -2.694
   21    HB2  SER   5           1HB      SER   5 -11.088  -9.486  -3.754
   22    HB3  SER   5           2HB      SER   5 -10.812  -8.331  -5.073
   23    HG   SER   5           HG       SER   5  -9.232  -8.195  -3.381
   24    H    SER   6           H        SER   6 -11.780  -5.735  -2.495
   25    HA   SER   6           HA       SER   6 -11.651  -3.856  -4.711
   26    HB2  SER   6           1HB      SER   6 -14.102  -3.855  -4.137
   27    HB3  SER   6           2HB      SER   6 -13.678  -3.325  -2.497
   28    HG   SER   6           HG       SER   6 -14.202  -1.578  -3.938
   29    H    GLY   7           H        GLY   7 -10.589  -1.876  -4.081
   30    HA2  GLY   7           1HA      GLY   7  -9.125  -0.569  -2.773
   31    HA3  GLY   7           2HA      GLY   7  -9.379  -1.635  -1.397
   32    H    TYR   8           H        TYR   8  -7.040  -1.324  -1.176
   33    HA   TYR   8           HA       TYR   8  -5.380  -3.102  -2.929
   34    HB2  TYR   8           1HB      TYR   8  -4.627  -0.394  -1.767
   35    HB3  TYR   8           2HB      TYR   8  -3.600  -1.433  -2.748
   36    HD1  TYR   8           2HD      TYR   8  -6.582   0.774  -2.775
   37    HD2  TYR   8           1HD      TYR   8  -3.892  -1.598  -5.173
   38    HE1  TYR   8           2HE      TYR   8  -7.542   1.778  -4.836
   39    HE2  TYR   8           1HE      TYR   8  -4.843  -0.574  -7.240
   40    HH   TYR   8           HH       TYR   8  -7.475   1.859  -7.129
   41    H    VAL   9           H        VAL   9  -3.572  -4.148  -1.927
   42    HA   VAL   9           HA       VAL   9  -3.472  -4.059   1.040
   43    HB   VAL   9           HB       VAL   9  -3.563  -6.624  -0.585
   44   HG11  VAL   9          1HG1      VAL   9  -3.366  -6.113   2.419
   45   HG12  VAL   9          2HG1      VAL   9  -3.673  -7.699   1.677
   46   HG13  VAL   9          3HG1      VAL   9  -2.143  -6.872   1.386
   47   HG21  VAL   9          3HG2      VAL   9  -5.685  -7.079   0.592
   48   HG22  VAL   9          1HG2      VAL   9  -5.612  -5.484   1.363
   49   HG23  VAL   9          2HG2      VAL   9  -5.833  -5.625  -0.395
   50    H    CYS  10           H        CYS  10  -1.507  -4.254   1.944
   51    HA   CYS  10           HA       CYS  10   0.873  -3.815   0.436
   52    HB2  CYS  10           1HB      CYS  10   0.388  -3.072   2.748
   53    HB3  CYS  10           2HB      CYS  10   0.460  -4.754   3.296
   54    H    ALA  11           H        ALA  11   2.149  -5.153  -0.621
   55    HA   ALA  11           HA       ALA  11   1.745  -8.019  -0.632
   56    HB1  ALA  11           1HB      ALA  11   3.939  -6.300  -1.875
   57    HB2  ALA  11           2HB      ALA  11   3.585  -7.994  -2.270
   58    HB3  ALA  11           3HB      ALA  11   2.391  -6.736  -2.635
   59    H    LEU  12           H        LEU  12   3.338  -6.099   1.614
   60    HA   LEU  12           HA       LEU  12   5.452  -8.114   2.241
   61    HB2  LEU  12           1HB      LEU  12   5.229  -5.208   3.105
   62    HB3  LEU  12           2HB      LEU  12   6.524  -6.332   3.457
   63    HG   LEU  12           HG       LEU  12   6.873  -6.473   0.876
   64   HD11  LEU  12          1HD1      LEU  12   5.305  -3.844   1.062
   65   HD12  LEU  12          2HD1      LEU  12   4.896  -5.230   0.038
   66   HD13  LEU  12          3HD1      LEU  12   6.348  -4.302  -0.295
   67   HD21  LEU  12          3HD2      LEU  12   8.303  -4.463   0.996
   68   HD22  LEU  12          1HD2      LEU  12   8.361  -5.368   2.524
   69   HD23  LEU  12          2HD2      LEU  12   7.362  -3.907   2.399
   70    H    CYS  13           H        CYS  13   3.199  -5.939   3.942
   71    HA   CYS  13           HA       CYS  13   3.135  -7.845   6.232
   72    HB2  CYS  13           1HB      CYS  13   2.604  -6.122   7.708
   73    HB3  CYS  13           2HB      CYS  13   4.034  -5.710   6.781
   74    H    LEU  14           H        LEU  14   1.159  -7.267   3.666
   75    HA   LEU  14           HA       LEU  14  -0.962  -7.728   3.135
   76    HB2  LEU  14           1HB      LEU  14  -0.606  -9.655   5.428
   77    HB3  LEU  14           2HB      LEU  14  -2.059  -9.624   4.464
   78    HG   LEU  14           HG       LEU  14  -0.592 -11.380   3.759
   79   HD11  LEU  14          1HD1      LEU  14  -0.656 -11.029   1.375
   80   HD12  LEU  14          2HD1      LEU  14  -0.752  -9.273   1.574
   81   HD13  LEU  14          3HD1      LEU  14  -2.098 -10.304   2.106
   82   HD21  LEU  14          3HD2      LEU  14   1.507 -11.099   2.656
   83   HD22  LEU  14          1HD2      LEU  14   1.616 -10.300   4.234
   84   HD23  LEU  14          2HD2      LEU  14   1.411  -9.333   2.752
   85    H    LYS  15           H        LYS  15  -0.573  -5.489   5.097
   86    HA   LYS  15           HA       LYS  15  -3.179  -5.070   6.330
   87    HB2  LYS  15           1HB      LYS  15  -1.118  -3.864   7.059
   88    HB3  LYS  15           2HB      LYS  15  -1.012  -3.158   5.424
   89    HG2  LYS  15           1HG      LYS  15  -3.097  -1.959   5.777
   90    HG3  LYS  15           2HG      LYS  15  -3.384  -2.790   7.320
   91    HD2  LYS  15           1HD      LYS  15  -1.407  -1.651   8.272
   92    HD3  LYS  15           2HD      LYS  15  -1.112  -0.839   6.729
   93    HE2  LYS  15           1HE      LYS  15  -3.598  -0.577   8.489
   94    HE3  LYS  15           2HE      LYS  15  -2.301   0.607   8.322
   95    HZ1  LYS  15           3HZ      LYS  15  -4.193   1.209   6.935
   96    HZ2  LYS  15           1HZ      LYS  15  -4.170  -0.217   6.141
   97    HZ3  LYS  15           2HZ      LYS  15  -2.938   0.837   5.954
   98    H    LYS  16           H        LYS  16  -4.964  -4.042   5.533
   99    HA   LYS  16           HA       LYS  16  -5.158  -3.537   2.633
  100    HB2  LYS  16           1HB      LYS  16  -6.761  -4.966   3.940
  101    HB3  LYS  16           2HB      LYS  16  -7.372  -3.498   4.715
  102    HG2  LYS  16           1HG      LYS  16  -8.150  -2.632   2.572
  103    HG3  LYS  16           2HG      LYS  16  -7.301  -3.916   1.691
  104    HD2  LYS  16           1HD      LYS  16  -8.735  -5.602   2.919
  105    HD3  LYS  16           2HD      LYS  16  -9.698  -4.255   3.547
  106    HE2  LYS  16           1HE      LYS  16  -9.181  -4.825   0.589
  107    HE3  LYS  16           2HE      LYS  16 -10.589  -5.430   1.463
  108    HZ1  LYS  16           3HZ      LYS  16 -10.995  -3.361   0.227
  109    HZ2  LYS  16           1HZ      LYS  16  -9.961  -2.541   1.190
  110    HZ3  LYS  16           2HZ      LYS  16 -11.329  -3.184   1.827
  111    H    PHE  17           H        PHE  17  -5.987  -1.733   1.698
  112    HA   PHE  17           HA       PHE  17  -5.942   0.878   3.134
  113    HB2  PHE  17           1HB      PHE  17  -4.360   0.081   0.653
  114    HB3  PHE  17           2HB      PHE  17  -4.591   1.741   1.169
  115    HD1  PHE  17           1HD      PHE  17  -2.918  -1.458   1.965
  116    HD2  PHE  17           2HD      PHE  17  -3.476   2.654   3.135
  117    HE1  PHE  17           1HE      PHE  17  -1.016  -1.639   3.534
  118    HE2  PHE  17           2HE      PHE  17  -1.498   2.501   4.631
  119    HZ   PHE  17           HZ       PHE  17  -0.301   0.331   4.863
  120    H    VAL  18           H        VAL  18  -6.994   2.568   2.139
  121    HA   VAL  18           HA       VAL  18  -9.303   1.944   0.505
  122    HB   VAL  18           HB       VAL  18  -9.380   3.523   2.347
  123   HG11  VAL  18          1HG1      VAL  18  -7.608   5.390   0.698
  124   HG12  VAL  18          2HG1      VAL  18  -8.460   5.800   2.193
  125   HG13  VAL  18          3HG1      VAL  18  -7.177   4.595   2.232
  126   HG21  VAL  18          3HG2      VAL  18  -9.969   4.982  -0.252
  127   HG22  VAL  18          1HG2      VAL  18 -11.005   3.736   0.484
  128   HG23  VAL  18          2HG2      VAL  18 -10.703   5.259   1.337
  129    H    SER  19           H        SER  19  -6.127   3.301  -0.219
  130    HA   SER  19           HA       SER  19  -6.740   3.327  -3.114
  131    HB2  SER  19           1HB      SER  19  -7.348   5.568  -2.453
  132    HB3  SER  19           2HB      SER  19  -5.838   5.770  -1.554
  133    HG   SER  19           HG       SER  19  -5.897   6.708  -3.723
  134    H    SER  20           H        SER  20  -4.858   3.335  -4.449
  135    HA   SER  20           HA       SER  20  -2.657   1.803  -3.445
  136    HB2  SER  20           1HB      SER  20  -1.669   2.227  -5.686
  137    HB3  SER  20           2HB      SER  20  -3.331   1.620  -5.746
  138    HG   SER  20           HG       SER  20  -3.078   3.362  -7.176
  139    H    ILE  21           H        ILE  21  -3.099   5.317  -3.835
  140    HA   ILE  21           HA       ILE  21  -0.344   6.059  -3.477
  141    HB   ILE  21           HB       ILE  21  -2.956   7.533  -3.016
  142   HG12  ILE  21          1HG1      ILE  21  -2.153   8.950  -4.879
  143   HG13  ILE  21          2HG1      ILE  21  -0.689   7.984  -5.020
  144   HG21  ILE  21          1HG2      ILE  21  -1.562   9.613  -2.746
  145   HG22  ILE  21          2HG2      ILE  21  -1.427   8.504  -1.386
  146   HG23  ILE  21          3HG2      ILE  21  -0.124   8.578  -2.593
  147   HD11  ILE  21          3HD1      ILE  21  -3.498   6.898  -5.491
  148   HD12  ILE  21          1HD1      ILE  21  -2.441   7.546  -6.761
  149   HD13  ILE  21          2HD1      ILE  21  -1.948   6.100  -5.876
  150    H    ARG  22           H        ARG  22  -2.931   5.442  -1.106
  151    HA   ARG  22           HA       ARG  22  -1.473   6.177   1.273
  152    HB2  ARG  22           1HB      ARG  22  -3.636   4.044   0.964
  153    HB3  ARG  22           2HB      ARG  22  -3.142   4.807   2.459
  154    HG2  ARG  22           1HG      ARG  22  -4.535   6.201   0.141
  155    HG3  ARG  22           2HG      ARG  22  -5.289   5.641   1.624
  156    HD2  ARG  22           1HD      ARG  22  -3.209   7.817   1.394
  157    HD3  ARG  22           2HD      ARG  22  -4.921   8.070   1.646
  158    HE   ARG  22           HE       ARG  22  -2.929   7.233   3.639
  159   HH11  ARG  22          2HH1      ARG  22  -6.376   7.493   3.046
  160   HH12  ARG  22          1HH1      ARG  22  -6.760   7.392   4.742
  161   HH21  ARG  22          2HH2      ARG  22  -3.497   7.115   5.776
  162   HH22  ARG  22          1HH2      ARG  22  -5.172   7.189   6.239
  163    H    LEU  23           H        LEU  23  -1.756   3.112  -0.497
  164    HA   LEU  23           HA       LEU  23  -0.101   1.573   1.273
  165    HB2  LEU  23           1HB      LEU  23  -1.744   0.489  -0.068
  166    HB3  LEU  23           2HB      LEU  23  -1.148   1.232  -1.552
  167    HG   LEU  23           HG       LEU  23   0.890  -0.078  -1.476
  168   HD11  LEU  23          1HD1      LEU  23  -0.250  -1.555   0.928
  169   HD12  LEU  23          2HD1      LEU  23   1.044  -0.353   1.053
  170   HD13  LEU  23          3HD1      LEU  23   1.322  -1.806   0.119
  171   HD21  LEU  23          3HD2      LEU  23  -1.069  -0.999  -2.622
  172   HD22  LEU  23          1HD2      LEU  23  -1.615  -1.767  -1.114
  173   HD23  LEU  23          2HD2      LEU  23  -0.108  -2.298  -1.893
  174    H    ARG  24           H        ARG  24   0.609   3.247  -1.853
  175    HA   ARG  24           HA       ARG  24   3.267   2.324  -2.220
  176    HB2  ARG  24           1HB      ARG  24   1.841   4.921  -2.933
  177    HB3  ARG  24           2HB      ARG  24   3.510   4.643  -3.417
  178    HG2  ARG  24           1HG      ARG  24   2.979   2.802  -4.817
  179    HG3  ARG  24           2HG      ARG  24   1.362   2.615  -4.136
  180    HD2  ARG  24           1HD      ARG  24   0.742   4.856  -5.039
  181    HD3  ARG  24           2HD      ARG  24   2.344   4.973  -5.795
  182    HE   ARG  24           HE       ARG  24   1.185   2.536  -6.645
  183   HH11  ARG  24          2HH1      ARG  24   0.564   5.949  -7.129
  184   HH12  ARG  24          1HH1      ARG  24  -0.245   5.679  -8.649
  185   HH21  ARG  24          2HH2      ARG  24   0.158   2.268  -8.602
  186   HH22  ARG  24          1HH2      ARG  24  -0.453   3.650  -9.458
  187    H    SER  25           H        SER  25   2.181   5.207  -0.456
  188    HA   SER  25           HA       SER  25   4.852   5.926   0.431
  189    HB2  SER  25           1HB      SER  25   2.050   6.822   1.150
  190    HB3  SER  25           2HB      SER  25   3.510   7.521   1.905
  191    HG   SER  25           HG       SER  25   2.819   8.703   0.049
  192    H    HIS  26           H        HIS  26   2.230   3.994   1.957
  193    HA   HIS  26           HA       HIS  26   3.330   3.760   4.572
  194    HB2  HIS  26           1HB      HIS  26   1.212   2.831   4.345
  195    HB3  HIS  26           2HB      HIS  26   1.577   2.041   2.828
  196    HD1  HIS  26           1HD      HIS  26   1.898   1.416   6.575
  197    HD2  HIS  26           2HD      HIS  26   2.713  -0.397   2.868
  198    HE1  HIS  26           1HE      HIS  26   2.355  -1.028   7.085
  199    H    ILE  27           H        ILE  27   4.132   1.893   1.593
  200    HA   ILE  27           HA       ILE  27   5.899   0.080   2.892
  201    HB   ILE  27           HB       ILE  27   6.045   1.064   0.021
  202   HG12  ILE  27          1HG1      ILE  27   4.666  -1.470   1.028
  203   HG13  ILE  27          2HG1      ILE  27   3.799   0.022   0.740
  204   HG21  ILE  27          1HG2      ILE  27   7.270  -0.965  -0.458
  205   HG22  ILE  27          2HG2      ILE  27   8.090  -0.181   0.887
  206   HG23  ILE  27          3HG2      ILE  27   7.031  -1.567   1.197
  207   HD11  ILE  27          3HD1      ILE  27   4.604   0.033  -1.629
  208   HD12  ILE  27          1HD1      ILE  27   5.291  -1.586  -1.353
  209   HD13  ILE  27          2HD1      ILE  27   3.544  -1.333  -1.210
  210    H    ARG  28           H        ARG  28   6.509   3.367   1.657
  211    HA   ARG  28           HA       ARG  28   9.402   3.156   1.987
  212    HB2  ARG  28           1HB      ARG  28   7.959   5.791   1.891
  213    HB3  ARG  28           2HB      ARG  28   9.544   5.360   1.256
  214    HG2  ARG  28           1HG      ARG  28   6.818   4.675   0.147
  215    HG3  ARG  28           2HG      ARG  28   7.995   5.755  -0.577
  216    HD2  ARG  28           1HD      ARG  28   9.393   3.959  -1.260
  217    HD3  ARG  28           2HD      ARG  28   8.550   2.780  -0.231
  218    HE   ARG  28           HE       ARG  28   6.508   3.530  -1.745
  219   HH11  ARG  28          2HH1      ARG  28   9.699   2.414  -2.748
  220   HH12  ARG  28          1HH1      ARG  28   9.092   1.844  -4.282
  221   HH21  ARG  28          2HH2      ARG  28   5.845   2.802  -3.715
  222   HH22  ARG  28          1HH2      ARG  28   6.969   2.030  -4.797
  223    H    GLU  29           H        GLU  29   6.771   4.407   3.977
  224    HA   GLU  29           HA       GLU  29   8.514   5.463   6.061
  225    HB2  GLU  29           1HB      GLU  29   5.527   4.894   5.927
  226    HB3  GLU  29           2HB      GLU  29   6.314   5.653   7.308
  227    HG2  GLU  29           1HG      GLU  29   6.343   6.794   4.478
  228    HG3  GLU  29           2HG      GLU  29   5.213   7.259   5.742
  229    H    VAL  30           H        VAL  30   6.786   2.381   5.631
  230    HA   VAL  30           HA       VAL  30   7.572   1.536   8.379
  231    HB   VAL  30           HB       VAL  30   5.475   0.364   6.518
  232   HG11  VAL  30          1HG1      VAL  30   6.196  -1.284   8.187
  233   HG12  VAL  30          2HG1      VAL  30   6.005  -0.085   9.486
  234   HG13  VAL  30          3HG1      VAL  30   4.591  -0.684   8.593
  235   HG21  VAL  30          3HG2      VAL  30   3.857   1.479   8.088
  236   HG22  VAL  30          1HG2      VAL  30   5.223   2.309   8.858
  237   HG23  VAL  30          2HG2      VAL  30   4.814   2.633   7.160
  238    H    HIS  31           H        HIS  31   7.996   0.529   5.006
  239    HA   HIS  31           HA       HIS  31   9.602  -1.823   5.951
  240    HB2  HIS  31           1HB      HIS  31   8.232  -1.453   3.281
  241    HB3  HIS  31           2HB      HIS  31   9.047  -2.894   3.874
  242    HD1  HIS  31           1HD      HIS  31   7.727  -3.454   6.602
  243    HD2  HIS  31           2HD      HIS  31   5.710  -2.034   3.206
  244    HE1  HIS  31           1HE      HIS  31   5.296  -4.104   6.916
  245    H    GLY  32           H        GLY  32   9.923   1.220   4.464
  246    HA2  GLY  32           1HA      GLY  32  11.798   2.368   3.904
  247    HA3  GLY  32           2HA      GLY  32  12.773   0.991   4.433
  248    H    ALA  33           H        ALA  33  10.452   0.710   1.764
  249    HA   ALA  33           HA       ALA  33  12.571  -0.049  -0.079
  250    HB1  ALA  33           1HB      ALA  33  10.815  -0.599  -1.588
  251    HB2  ALA  33           2HB      ALA  33  10.359  -1.164   0.036
  252    HB3  ALA  33           3HB      ALA  33   9.632   0.325  -0.645
  253    H    ALA  34           H        ALA  34  13.383   2.225   0.464
  254    HA   ALA  34           HA       ALA  34  12.921   4.045  -1.867
  255    HB1  ALA  34           1HB      ALA  34  13.080   5.961  -0.332
  256    HB2  ALA  34           2HB      ALA  34  11.756   4.887   0.153
  257    HB3  ALA  34           3HB      ALA  34  13.297   4.855   1.044
  258    H    GLN  35           H        GLN  35  15.010   1.970  -1.067
  259    HA   GLN  35           HA       GLN  35  17.492   3.301  -0.450
  260    HB2  GLN  35           1HB      GLN  35  17.076   0.528  -1.631
  261    HB3  GLN  35           2HB      GLN  35  18.514   1.124  -0.808
  262    HG2  GLN  35           1HG      GLN  35  15.780   0.598   0.431
  263    HG3  GLN  35           2HG      GLN  35  17.241  -0.338   0.670
  264   HE21  GLN  35          1HE2      GLN  35  15.348   1.526   2.440
  265   HE22  GLN  35          2HE2      GLN  35  16.555   2.400   3.389
  Start of MODEL    3
    1    H1   GLY   1           1H       GLY   1 -18.659  -9.681  -8.477
    2    H2   GLY   1           2H       GLY   1 -17.279  -9.668  -7.591
    3    H3   GLY   1           3H       GLY   1 -18.314 -10.932  -7.475
    4    HA2  GLY   1           1HA      GLY   1 -17.894 -11.576  -9.753
    5    HA3  GLY   1           2HA      GLY   1 -16.794 -10.192  -9.895
    6    H    SER   2           H        SER   2 -16.379 -13.195 -10.097
    7    HA   SER   2           HA       SER   2 -14.999 -14.258  -7.908
    8    HB2  SER   2           1HB      SER   2 -14.468 -14.783 -10.857
    9    HB3  SER   2           2HB      SER   2 -14.009 -15.831  -9.500
   10    HG   SER   2           HG       SER   2 -15.982 -16.494 -10.483
   11    H    SER   3           H        SER   3 -12.994 -14.173  -7.103
   12    HA   SER   3           HA       SER   3 -11.021 -13.303  -6.489
   13    HB2  SER   3           1HB      SER   3 -10.372 -13.283  -9.446
   14    HB3  SER   3           2HB      SER   3  -9.213 -13.258  -8.104
   15    HG   SER   3           HG       SER   3  -9.534 -15.376  -8.935
   16    H    GLY   4           H        GLY   4 -13.192 -11.258  -7.258
   17    HA2  GLY   4           1HA      GLY   4 -11.759  -8.809  -7.897
   18    HA3  GLY   4           2HA      GLY   4 -13.415  -8.953  -7.314
   19    H    SER   5           H        SER   5 -11.884  -6.893  -6.436
   20    HA   SER   5           HA       SER   5 -11.661  -7.406  -3.531
   21    HB2  SER   5           1HB      SER   5  -9.502  -6.252  -3.377
   22    HB3  SER   5           2HB      SER   5  -9.384  -7.730  -4.343
   23    HG   SER   5           HG       SER   5  -8.302  -5.938  -5.316
   24    H    SER   6           H        SER   6 -11.740  -5.547  -2.215
   25    HA   SER   6           HA       SER   6 -13.121  -3.203  -3.432
   26    HB2  SER   6           1HB      SER   6 -14.197  -2.978  -1.219
   27    HB3  SER   6           2HB      SER   6 -14.520  -4.530  -2.007
   28    HG   SER   6           HG       SER   6 -14.000  -4.892   0.136
   29    H    GLY   7           H        GLY   7 -10.074  -3.765  -2.605
   30    HA2  GLY   7           1HA      GLY   7  -9.343  -1.038  -2.240
   31    HA3  GLY   7           2HA      GLY   7  -9.252  -1.858  -0.681
   32    H    TYR   8           H        TYR   8  -6.960  -1.006  -1.239
   33    HA   TYR   8           HA       TYR   8  -5.350  -2.916  -2.885
   34    HB2  TYR   8           1HB      TYR   8  -4.653  -0.194  -1.719
   35    HB3  TYR   8           2HB      TYR   8  -3.578  -1.203  -2.669
   36    HD1  TYR   8           2HD      TYR   8  -6.705   0.829  -2.811
   37    HD2  TYR   8           1HD      TYR   8  -3.713  -1.307  -5.074
   38    HE1  TYR   8           2HE      TYR   8  -7.584   1.829  -4.913
   39    HE2  TYR   8           1HE      TYR   8  -4.595  -0.299  -7.177
   40    HH   TYR   8           HH       TYR   8  -7.372   1.968  -7.191
   41    H    VAL   9           H        VAL   9  -3.575  -4.053  -1.953
   42    HA   VAL   9           HA       VAL   9  -3.386  -3.967   1.012
   43    HB   VAL   9           HB       VAL   9  -3.533  -6.547  -0.572
   44   HG11  VAL   9          1HG1      VAL   9  -2.274  -6.671   1.574
   45   HG12  VAL   9          2HG1      VAL   9  -3.634  -5.923   2.420
   46   HG13  VAL   9          3HG1      VAL   9  -3.808  -7.536   1.702
   47   HG21  VAL   9          3HG2      VAL   9  -5.780  -5.524  -0.591
   48   HG22  VAL   9          1HG2      VAL   9  -5.739  -6.903   0.506
   49   HG23  VAL   9          2HG2      VAL   9  -5.672  -5.256   1.165
   50    H    CYS  10           H        CYS  10  -1.461  -4.233   1.880
   51    HA   CYS  10           HA       CYS  10   0.964  -3.907   0.426
   52    HB2  CYS  10           1HB      CYS  10   0.416  -3.262   2.793
   53    HB3  CYS  10           2HB      CYS  10   0.492  -4.974   3.233
   54    H    ALA  11           H        ALA  11   2.418  -5.277  -0.391
   55    HA   ALA  11           HA       ALA  11   1.797  -8.153  -0.552
   56    HB1  ALA  11           1HB      ALA  11   3.640  -8.194  -2.171
   57    HB2  ALA  11           2HB      ALA  11   2.492  -6.901  -2.560
   58    HB3  ALA  11           3HB      ALA  11   4.047  -6.509  -1.790
   59    H    LEU  12           H        LEU  12   3.401  -6.220   1.676
   60    HA   LEU  12           HA       LEU  12   5.520  -8.223   2.312
   61    HB2  LEU  12           1HB      LEU  12   5.288  -5.321   3.181
   62    HB3  LEU  12           2HB      LEU  12   6.606  -6.433   3.479
   63    HG   LEU  12           HG       LEU  12   6.885  -6.523   0.883
   64   HD11  LEU  12          1HD1      LEU  12   4.865  -5.312   0.121
   65   HD12  LEU  12          2HD1      LEU  12   6.292  -4.356  -0.241
   66   HD13  LEU  12          3HD1      LEU  12   5.279  -3.931   1.152
   67   HD21  LEU  12          3HD2      LEU  12   7.373  -3.980   2.432
   68   HD22  LEU  12          1HD2      LEU  12   8.283  -4.499   0.994
   69   HD23  LEU  12          2HD2      LEU  12   8.400  -5.425   2.505
   70    H    CYS  13           H        CYS  13   3.251  -6.066   3.999
   71    HA   CYS  13           HA       CYS  13   3.133  -7.988   6.282
   72    HB2  CYS  13           1HB      CYS  13   2.574  -6.243   7.755
   73    HB3  CYS  13           2HB      CYS  13   4.049  -5.860   6.885
   74    H    LEU  14           H        LEU  14   1.256  -7.346   3.678
   75    HA   LEU  14           HA       LEU  14  -0.852  -7.796   3.064
   76    HB2  LEU  14           1HB      LEU  14  -1.067  -9.593   5.465
   77    HB3  LEU  14           2HB      LEU  14  -1.927  -9.707   3.936
   78    HG   LEU  14           HG       LEU  14   1.038 -10.230   4.407
   79   HD11  LEU  14          1HD1      LEU  14  -1.232 -12.041   3.499
   80   HD12  LEU  14          2HD1      LEU  14  -0.521 -12.001   5.130
   81   HD13  LEU  14          3HD1      LEU  14   0.463 -12.511   3.749
   82   HD21  LEU  14          3HD2      LEU  14   1.091 -10.973   2.014
   83   HD22  LEU  14          1HD2      LEU  14   0.892  -9.235   2.196
   84   HD23  LEU  14          2HD2      LEU  14  -0.513 -10.241   1.783
   85    H    LYS  15           H        LYS  15  -0.512  -5.524   4.965
   86    HA   LYS  15           HA       LYS  15  -3.107  -5.104   6.229
   87    HB2  LYS  15           1HB      LYS  15  -0.941  -4.121   6.993
   88    HB3  LYS  15           2HB      LYS  15  -0.881  -3.208   5.464
   89    HG2  LYS  15           1HG      LYS  15  -2.825  -1.898   6.093
   90    HG3  LYS  15           2HG      LYS  15  -3.169  -2.962   7.471
   91    HD2  LYS  15           1HD      LYS  15  -1.126  -2.220   8.604
   92    HD3  LYS  15           2HD      LYS  15  -0.689  -1.205   7.212
   93    HE2  LYS  15           1HE      LYS  15  -2.749   0.125   7.503
   94    HE3  LYS  15           2HE      LYS  15  -3.262  -0.922   8.832
   95    HZ1  LYS  15           3HZ      LYS  15  -1.313  -0.180  10.093
   96    HZ2  LYS  15           1HZ      LYS  15  -2.229   1.101   9.669
   97    HZ3  LYS  15           2HZ      LYS  15  -0.838   0.800   8.871
   98    H    LYS  16           H        LYS  16  -4.837  -3.929   5.504
   99    HA   LYS  16           HA       LYS  16  -4.997  -3.369   2.603
  100    HB2  LYS  16           1HB      LYS  16  -6.589  -4.903   3.727
  101    HB3  LYS  16           2HB      LYS  16  -7.215  -3.545   4.671
  102    HG2  LYS  16           1HG      LYS  16  -8.019  -2.441   2.635
  103    HG3  LYS  16           2HG      LYS  16  -7.222  -3.654   1.617
  104    HD2  LYS  16           1HD      LYS  16  -8.663  -5.417   2.691
  105    HD3  LYS  16           2HD      LYS  16  -9.515  -4.118   3.560
  106    HE2  LYS  16           1HE      LYS  16 -10.082  -3.082   1.344
  107    HE3  LYS  16           2HE      LYS  16  -9.286  -4.444   0.534
  108    HZ1  LYS  16           3HZ      LYS  16 -10.924  -5.927   1.558
  109    HZ2  LYS  16           1HZ      LYS  16 -11.719  -4.763   0.727
  110    HZ3  LYS  16           2HZ      LYS  16 -11.631  -4.687   2.353
  111    H    PHE  17           H        PHE  17  -5.817  -1.562   1.701
  112    HA   PHE  17           HA       PHE  17  -5.906   0.999   3.221
  113    HB2  PHE  17           1HB      PHE  17  -4.168   0.342   0.803
  114    HB3  PHE  17           2HB      PHE  17  -4.429   1.962   1.424
  115    HD1  PHE  17           2HD      PHE  17  -3.551   2.658   3.638
  116    HD2  PHE  17           1HD      PHE  17  -2.680  -1.225   1.971
  117    HE1  PHE  17           2HE      PHE  17  -1.747   2.342   5.314
  118    HE2  PHE  17           1HE      PHE  17  -0.878  -1.535   3.647
  119    HZ   PHE  17           HZ       PHE  17  -0.439   0.231   5.338
  120    H    VAL  18           H        VAL  18  -6.947   2.701   2.192
  121    HA   VAL  18           HA       VAL  18  -9.199   2.015   0.544
  122    HB   VAL  18           HB       VAL  18  -9.307   3.675   2.297
  123   HG11  VAL  18          1HG1      VAL  18  -7.081   4.744   2.131
  124   HG12  VAL  18          2HG1      VAL  18  -7.560   5.499   0.591
  125   HG13  VAL  18          3HG1      VAL  18  -8.383   5.929   2.094
  126   HG21  VAL  18          3HG2      VAL  18 -10.607   5.374   1.190
  127   HG22  VAL  18          1HG2      VAL  18  -9.852   5.016  -0.374
  128   HG23  VAL  18          2HG2      VAL  18 -10.906   3.812   0.407
  129    H    SER  19           H        SER  19  -6.066   3.434  -0.246
  130    HA   SER  19           HA       SER  19  -6.718   3.427  -3.152
  131    HB2  SER  19           1HB      SER  19  -5.562   5.813  -1.661
  132    HB3  SER  19           2HB      SER  19  -5.748   5.673  -3.417
  133    HG   SER  19           HG       SER  19  -7.477   6.835  -2.483
  134    H    SER  20           H        SER  20  -4.852   3.513  -4.547
  135    HA   SER  20           HA       SER  20  -2.672   1.887  -3.770
  136    HB2  SER  20           1HB      SER  20  -1.674   2.620  -5.934
  137    HB3  SER  20           2HB      SER  20  -3.360   2.094  -6.078
  138    HG   SER  20           HG       SER  20  -3.016   4.051  -7.205
  139    H    ILE  21           H        ILE  21  -2.838   5.455  -4.007
  140    HA   ILE  21           HA       ILE  21  -0.131   6.026  -3.414
  141    HB   ILE  21           HB       ILE  21  -2.603   7.649  -2.691
  142   HG12  ILE  21          1HG1      ILE  21  -2.682   7.214  -5.060
  143   HG13  ILE  21          2HG1      ILE  21  -2.229   8.882  -4.787
  144   HG21  ILE  21          1HG2      ILE  21  -1.030   9.609  -2.864
  145   HG22  ILE  21          2HG2      ILE  21  -0.729   8.545  -1.491
  146   HG23  ILE  21          3HG2      ILE  21   0.322   8.451  -2.918
  147   HD11  ILE  21          3HD1      ILE  21   0.161   8.305  -5.283
  148   HD12  ILE  21          1HD1      ILE  21  -0.348   6.631  -5.615
  149   HD13  ILE  21          2HD1      ILE  21  -0.939   7.955  -6.628
  150    H    ARG  22           H        ARG  22  -2.827   5.475  -1.168
  151    HA   ARG  22           HA       ARG  22  -1.454   6.121   1.286
  152    HB2  ARG  22           1HB      ARG  22  -3.756   4.182   0.786
  153    HB3  ARG  22           2HB      ARG  22  -3.280   4.806   2.354
  154    HG2  ARG  22           1HG      ARG  22  -4.218   6.600   0.065
  155    HG3  ARG  22           2HG      ARG  22  -5.312   5.877   1.226
  156    HD2  ARG  22           1HD      ARG  22  -3.044   7.742   1.933
  157    HD3  ARG  22           2HD      ARG  22  -4.731   8.226   1.728
  158    HE   ARG  22           HE       ARG  22  -4.772   6.170   3.630
  159   HH11  ARG  22          2HH1      ARG  22  -3.412   9.395   3.486
  160   HH12  ARG  22          1HH1      ARG  22  -3.494   9.606   5.213
  161   HH21  ARG  22          2HH2      ARG  22  -4.841   6.503   5.830
  162   HH22  ARG  22          1HH2      ARG  22  -4.287   8.009   6.496
  163    H    LEU  23           H        LEU  23  -1.813   3.080  -0.524
  164    HA   LEU  23           HA       LEU  23  -0.282   1.472   1.308
  165    HB2  LEU  23           1HB      LEU  23  -1.866   0.407  -0.123
  166    HB3  LEU  23           2HB      LEU  23  -1.206   1.171  -1.568
  167    HG   LEU  23           HG       LEU  23   0.848  -0.131  -1.394
  168   HD11  LEU  23          1HD1      LEU  23   1.184  -1.878   0.194
  169   HD12  LEU  23          2HD1      LEU  23  -0.440  -1.663   0.901
  170   HD13  LEU  23          3HD1      LEU  23   0.827  -0.453   1.140
  171   HD21  LEU  23          3HD2      LEU  23  -1.024  -1.032  -2.684
  172   HD22  LEU  23          1HD2      LEU  23  -1.655  -1.843  -1.230
  173   HD23  LEU  23          2HD2      LEU  23  -0.096  -2.338  -1.925
  174    H    ARG  24           H        ARG  24   0.591   3.120  -1.795
  175    HA   ARG  24           HA       ARG  24   3.272   2.213  -1.997
  176    HB2  ARG  24           1HB      ARG  24   1.908   4.807  -2.817
  177    HB3  ARG  24           2HB      ARG  24   3.599   4.486  -3.202
  178    HG2  ARG  24           1HG      ARG  24   3.084   2.566  -4.541
  179    HG3  ARG  24           2HG      ARG  24   1.404   2.533  -4.005
  180    HD2  ARG  24           1HD      ARG  24   1.025   4.744  -5.086
  181    HD3  ARG  24           2HD      ARG  24   2.699   4.719  -5.684
  182    HE   ARG  24           HE       ARG  24   1.430   2.306  -6.491
  183   HH11  ARG  24          2HH1      ARG  24   1.232   5.711  -7.290
  184   HH12  ARG  24          1HH1      ARG  24   0.588   5.394  -8.877
  185   HH21  ARG  24          2HH2      ARG  24   0.626   1.974  -8.537
  186   HH22  ARG  24          1HH2      ARG  24   0.267   3.332  -9.561
  187    H    SER  25           H        SER  25   2.116   5.206  -0.434
  188    HA   SER  25           HA       SER  25   4.665   5.955   0.627
  189    HB2  SER  25           1HB      SER  25   1.797   6.674   1.280
  190    HB3  SER  25           2HB      SER  25   3.182   7.413   2.135
  191    HG   SER  25           HG       SER  25   2.511   8.644   0.300
  192    H    HIS  26           H        HIS  26   2.050   3.932   2.102
  193    HA   HIS  26           HA       HIS  26   3.204   3.620   4.681
  194    HB2  HIS  26           1HB      HIS  26   1.095   2.679   4.490
  195    HB3  HIS  26           2HB      HIS  26   1.412   1.939   2.939
  196    HD1  HIS  26           1HD      HIS  26   1.942   1.237   6.656
  197    HD2  HIS  26           2HD      HIS  26   2.573  -0.503   2.881
  198    HE1  HIS  26           1HE      HIS  26   2.441  -1.206   7.098
  199    H    ILE  27           H        ILE  27   3.914   1.795   1.647
  200    HA   ILE  27           HA       ILE  27   5.767   0.015   2.879
  201    HB   ILE  27           HB       ILE  27   5.707   0.946  -0.017
  202   HG12  ILE  27          1HG1      ILE  27   4.526  -1.618   1.151
  203   HG13  ILE  27          2HG1      ILE  27   3.575  -0.181   0.844
  204   HG21  ILE  27          1HG2      ILE  27   6.991  -1.079  -0.516
  205   HG22  ILE  27          2HG2      ILE  27   7.867  -0.115   0.659
  206   HG23  ILE  27          3HG2      ILE  27   6.960  -1.557   1.191
  207   HD11  ILE  27          3HD1      ILE  27   3.279  -1.652  -1.017
  208   HD12  ILE  27          1HD1      ILE  27   4.228  -0.257  -1.567
  209   HD13  ILE  27          2HD1      ILE  27   5.022  -1.821  -1.254
  210    H    ARG  28           H        ARG  28   6.290   3.259   1.456
  211    HA   ARG  28           HA       ARG  28   9.175   3.149   1.849
  212    HB2  ARG  28           1HB      ARG  28   7.558   5.699   1.784
  213    HB3  ARG  28           2HB      ARG  28   9.237   5.436   1.327
  214    HG2  ARG  28           1HG      ARG  28   6.729   4.722  -0.197
  215    HG3  ARG  28           2HG      ARG  28   8.021   5.817  -0.663
  216    HD2  ARG  28           1HD      ARG  28   9.509   3.657  -0.710
  217    HD3  ARG  28           2HD      ARG  28   7.977   2.787  -0.641
  218    HE   ARG  28           HE       ARG  28   7.515   3.366  -2.829
  219   HH11  ARG  28          2HH1      ARG  28  10.298   5.287  -1.858
  220   HH12  ARG  28          1HH1      ARG  28  10.420   6.047  -3.421
  221   HH21  ARG  28          2HH2      ARG  28   7.817   4.295  -4.824
  222   HH22  ARG  28          1HH2      ARG  28   9.091   5.452  -5.063
  223    H    GLU  29           H        GLU  29   6.489   4.385   3.823
  224    HA   GLU  29           HA       GLU  29   8.080   5.647   5.838
  225    HB2  GLU  29           1HB      GLU  29   5.223   4.611   5.766
  226    HB3  GLU  29           2HB      GLU  29   5.920   5.315   7.226
  227    HG2  GLU  29           1HG      GLU  29   6.425   7.396   6.068
  228    HG3  GLU  29           2HG      GLU  29   5.805   6.754   4.551
  229    H    VAL  30           H        VAL  30   6.726   2.311   5.731
  230    HA   VAL  30           HA       VAL  30   8.164   1.789   8.307
  231    HB   VAL  30           HB       VAL  30   6.568   0.362   8.974
  232   HG11  VAL  30          1HG1      VAL  30   4.968   2.535   7.556
  233   HG12  VAL  30          2HG1      VAL  30   4.492   1.646   9.015
  234   HG13  VAL  30          3HG1      VAL  30   5.873   2.761   9.070
  235   HG21  VAL  30          3HG2      VAL  30   5.212   0.339   6.264
  236   HG22  VAL  30          1HG2      VAL  30   6.084  -1.003   7.035
  237   HG23  VAL  30          2HG2      VAL  30   4.597  -0.409   7.755
  238    H    HIS  31           H        HIS  31   7.905   0.505   5.046
  239    HA   HIS  31           HA       HIS  31   9.603  -1.825   5.878
  240    HB2  HIS  31           1HB      HIS  31   8.184  -1.397   3.238
  241    HB3  HIS  31           2HB      HIS  31   9.048  -2.827   3.768
  242    HD1  HIS  31           1HD      HIS  31   7.803  -3.581   6.462
  243    HD2  HIS  31           2HD      HIS  31   5.675  -2.028   3.198
  244    HE1  HIS  31           1HE      HIS  31   5.397  -4.302   6.795
  245    H    GLY  32           H        GLY  32   9.797   1.267   4.485
  246    HA2  GLY  32           1HA      GLY  32  11.493   2.488   3.557
  247    HA3  GLY  32           2HA      GLY  32  12.590   1.385   4.402
  248    H    ALA  33           H        ALA  33  10.428   0.432   1.744
  249    HA   ALA  33           HA       ALA  33  12.396  -1.093   0.474
  250    HB1  ALA  33           1HB      ALA  33  10.703  -1.364  -1.300
  251    HB2  ALA  33           2HB      ALA  33   9.961  -1.444   0.307
  252    HB3  ALA  33           3HB      ALA  33   9.810   0.038  -0.676
  253    H    ALA  34           H        ALA  34  11.628   2.305  -0.160
  254    HA   ALA  34           HA       ALA  34  14.029   2.680  -1.693
  255    HB1  ALA  34           1HB      ALA  34  12.861   3.643  -3.699
  256    HB2  ALA  34           2HB      ALA  34  12.637   1.893  -3.544
  257    HB3  ALA  34           3HB      ALA  34  11.326   2.993  -3.082
  258    H    GLN  35           H        GLN  35  14.745   4.651  -1.322
  259    HA   GLN  35           HA       GLN  35  13.452   6.536   0.429
  260    HB2  GLN  35           1HB      GLN  35  15.962   6.800  -1.295
  261    HB3  GLN  35           2HB      GLN  35  15.424   7.960  -0.091
  262    HG2  GLN  35           1HG      GLN  35  17.054   6.725   1.029
  263    HG3  GLN  35           2HG      GLN  35  15.531   6.116   1.655
  264   HE21  GLN  35          1HE2      GLN  35  17.099   4.310   2.358
  265   HE22  GLN  35          2HE2      GLN  35  17.381   3.024   1.188
  Start of MODEL    4
    1    H1   GLY   1           1H       GLY   1 -11.346 -15.504  -6.396
    2    H2   GLY   1           2H       GLY   1 -10.197 -16.652  -6.607
    3    H3   GLY   1           3H       GLY   1 -10.513 -15.577  -7.803
    4    HA2  GLY   1           1HA      GLY   1  -9.362 -14.916  -5.169
    5    HA3  GLY   1           2HA      GLY   1  -8.455 -15.002  -6.691
    6    H    SER   2           H        SER   2  -8.216 -12.717  -5.364
    7    HA   SER   2           HA       SER   2  -9.526 -10.725  -7.101
    8    HB2  SER   2           1HB      SER   2 -11.066 -10.875  -5.193
    9    HB3  SER   2           2HB      SER   2  -9.723 -10.621  -4.064
   10    HG   SER   2           HG       SER   2 -10.968  -8.733  -4.570
   11    H    SER   3           H        SER   3  -8.372  -8.825  -7.313
   12    HA   SER   3           HA       SER   3  -5.553  -8.795  -6.492
   13    HB2  SER   3           1HB      SER   3  -7.186  -6.734  -8.016
   14    HB3  SER   3           2HB      SER   3  -5.421  -6.760  -7.838
   15    HG   SER   3           HG       SER   3  -6.114  -7.688  -9.828
   16    H    GLY   4           H        GLY   4  -8.477  -7.636  -5.091
   17    HA2  GLY   4           1HA      GLY   4  -7.578  -6.709  -2.702
   18    HA3  GLY   4           2HA      GLY   4  -7.299  -5.299  -3.727
   19    H    SER   5           H        SER   5  -9.830  -7.553  -2.590
   20    HA   SER   5           HA       SER   5 -12.075  -6.083  -3.580
   21    HB2  SER   5           1HB      SER   5 -11.918  -7.972  -1.203
   22    HB3  SER   5           2HB      SER   5 -13.402  -7.416  -2.004
   23    HG   SER   5           HG       SER   5 -12.739  -9.449  -2.803
   24    H    SER   6           H        SER   6 -12.892  -4.207  -2.961
   25    HA   SER   6           HA       SER   6 -13.268  -2.267  -1.895
   26    HB2  SER   6           1HB      SER   6 -13.410  -3.960   0.613
   27    HB3  SER   6           2HB      SER   6 -14.110  -2.348   0.381
   28    HG   SER   6           HG       SER   6 -15.652  -4.014   0.040
   29    H    GLY   7           H        GLY   7 -10.307  -3.193  -1.930
   30    HA2  GLY   7           1HA      GLY   7  -9.150  -0.796  -1.230
   31    HA3  GLY   7           2HA      GLY   7  -9.055  -1.721   0.263
   32    H    TYR   8           H        TYR   8  -6.868  -0.752  -1.183
   33    HA   TYR   8           HA       TYR   8  -5.603  -2.932  -2.730
   34    HB2  TYR   8           1HB      TYR   8  -4.549  -0.203  -1.877
   35    HB3  TYR   8           2HB      TYR   8  -3.782  -1.309  -3.001
   36    HD1  TYR   8           2HD      TYR   8  -6.706   0.955  -2.527
   37    HD2  TYR   8           1HD      TYR   8  -4.439  -1.444  -5.309
   38    HE1  TYR   8           2HE      TYR   8  -7.906   2.025  -4.433
   39    HE2  TYR   8           1HE      TYR   8  -5.630  -0.366  -7.208
   40    HH   TYR   8           HH       TYR   8  -7.215   1.165  -7.843
   41    H    VAL   9           H        VAL   9  -3.749  -4.128  -1.997
   42    HA   VAL   9           HA       VAL   9  -3.349  -4.001   0.963
   43    HB   VAL   9           HB       VAL   9  -3.463  -6.533  -0.685
   44   HG11  VAL   9          1HG1      VAL   9  -2.157  -6.741   1.400
   45   HG12  VAL   9          2HG1      VAL   9  -3.462  -5.996   2.328
   46   HG13  VAL   9          3HG1      VAL   9  -3.690  -7.589   1.574
   47   HG21  VAL   9          3HG2      VAL   9  -5.594  -5.292   1.106
   48   HG22  VAL   9          1HG2      VAL   9  -5.718  -5.549  -0.649
   49   HG23  VAL   9          2HG2      VAL   9  -5.649  -6.937   0.435
   50    H    CYS  10           H        CYS  10  -1.425  -4.215   1.836
   51    HA   CYS  10           HA       CYS  10   1.025  -3.845   0.447
   52    HB2  CYS  10           1HB      CYS  10   0.466  -3.256   2.795
   53    HB3  CYS  10           2HB      CYS  10   0.488  -4.980   3.204
   54    H    ALA  11           H        ALA  11   2.512  -5.188  -0.371
   55    HA   ALA  11           HA       ALA  11   1.897  -8.056  -0.652
   56    HB1  ALA  11           1HB      ALA  11   2.648  -6.735  -2.593
   57    HB2  ALA  11           2HB      ALA  11   4.181  -6.371  -1.768
   58    HB3  ALA  11           3HB      ALA  11   3.785  -8.042  -2.220
   59    H    LEU  12           H        LEU  12   3.428  -6.218   1.699
   60    HA   LEU  12           HA       LEU  12   5.515  -8.262   2.327
   61    HB2  LEU  12           1HB      LEU  12   5.334  -5.371   3.243
   62    HB3  LEU  12           2HB      LEU  12   6.623  -6.517   3.534
   63    HG   LEU  12           HG       LEU  12   6.922  -6.563   0.934
   64   HD11  LEU  12          1HD1      LEU  12   6.404  -4.352  -0.140
   65   HD12  LEU  12          2HD1      LEU  12   5.416  -3.912   1.264
   66   HD13  LEU  12          3HD1      LEU  12   4.935  -5.250   0.212
   67   HD21  LEU  12          3HD2      LEU  12   8.469  -5.561   2.580
   68   HD22  LEU  12          1HD2      LEU  12   7.475  -4.091   2.585
   69   HD23  LEU  12          2HD2      LEU  12   8.367  -4.556   1.118
   70    H    CYS  13           H        CYS  13   3.267  -6.076   4.011
   71    HA   CYS  13           HA       CYS  13   3.092  -8.015   6.272
   72    HB2  CYS  13           1HB      CYS  13   2.527  -6.278   7.752
   73    HB3  CYS  13           2HB      CYS  13   4.021  -5.907   6.913
   74    H    LEU  14           H        LEU  14   1.278  -7.341   3.642
   75    HA   LEU  14           HA       LEU  14  -0.811  -7.800   2.972
   76    HB2  LEU  14           1HB      LEU  14  -1.043  -9.639   5.341
   77    HB3  LEU  14           2HB      LEU  14  -1.868  -9.748   3.791
   78    HG   LEU  14           HG       LEU  14   1.098 -10.215   4.318
   79   HD11  LEU  14          1HD1      LEU  14  -0.435 -12.026   4.995
   80   HD12  LEU  14          2HD1      LEU  14   0.585 -12.504   3.629
   81   HD13  LEU  14          3HD1      LEU  14  -1.116 -12.066   3.354
   82   HD21  LEU  14          3HD2      LEU  14  -0.405 -10.241   1.665
   83   HD22  LEU  14          1HD2      LEU  14   1.213 -10.935   1.922
   84   HD23  LEU  14          2HD2      LEU  14   0.968  -9.202   2.111
   85    H    LYS  15           H        LYS  15  -0.573  -5.537   4.868
   86    HA   LYS  15           HA       LYS  15  -3.214  -5.213   6.093
   87    HB2  LYS  15           1HB      LYS  15  -1.081  -4.236   6.968
   88    HB3  LYS  15           2HB      LYS  15  -0.993  -3.252   5.485
   89    HG2  LYS  15           1HG      LYS  15  -2.959  -1.995   6.113
   90    HG3  LYS  15           2HG      LYS  15  -3.355  -3.133   7.416
   91    HD2  LYS  15           1HD      LYS  15  -1.387  -2.442   8.687
   92    HD3  LYS  15           2HD      LYS  15  -0.863  -1.374   7.370
   93    HE2  LYS  15           1HE      LYS  15  -2.935  -0.041   7.603
   94    HE3  LYS  15           2HE      LYS  15  -3.512  -1.131   8.868
   95    HZ1  LYS  15           3HZ      LYS  15  -2.499   0.857   9.819
   96    HZ2  LYS  15           1HZ      LYS  15  -1.078   0.565   9.074
   97    HZ3  LYS  15           2HZ      LYS  15  -1.617  -0.449  10.239
   98    H    LYS  16           H        LYS  16  -4.937  -4.016   5.345
   99    HA   LYS  16           HA       LYS  16  -4.970  -3.293   2.475
  100    HB2  LYS  16           1HB      LYS  16  -6.594  -4.903   3.413
  101    HB3  LYS  16           2HB      LYS  16  -7.266  -3.631   4.437
  102    HG2  LYS  16           1HG      LYS  16  -7.988  -2.357   2.487
  103    HG3  LYS  16           2HG      LYS  16  -7.169  -3.471   1.386
  104    HD2  LYS  16           1HD      LYS  16  -9.458  -4.245   3.246
  105    HD3  LYS  16           2HD      LYS  16  -9.661  -3.776   1.550
  106    HE2  LYS  16           1HE      LYS  16  -8.190  -5.655   0.846
  107    HE3  LYS  16           2HE      LYS  16  -8.027  -6.159   2.537
  108    HZ1  LYS  16           3HZ      LYS  16  -9.762  -7.425   1.436
  109    HZ2  LYS  16           1HZ      LYS  16 -10.563  -6.066   0.995
  110    HZ3  LYS  16           2HZ      LYS  16 -10.459  -6.487   2.579
  111    H    PHE  17           H        PHE  17  -5.620  -1.391   1.651
  112    HA   PHE  17           HA       PHE  17  -5.805   1.026   3.392
  113    HB2  PHE  17           1HB      PHE  17  -4.067   0.559   0.929
  114    HB3  PHE  17           2HB      PHE  17  -4.306   2.119   1.701
  115    HD1  PHE  17           2HD      PHE  17  -3.457   2.580   3.986
  116    HD2  PHE  17           1HD      PHE  17  -2.598  -1.131   1.952
  117    HE1  PHE  17           2HE      PHE  17  -1.697   2.064   5.660
  118    HE2  PHE  17           1HE      PHE  17  -0.839  -1.631   3.621
  119    HZ   PHE  17           HZ       PHE  17  -0.418  -0.060   5.493
  120    H    VAL  18           H        VAL  18  -6.781   2.833   2.519
  121    HA   VAL  18           HA       VAL  18  -9.113   2.413   0.930
  122    HB   VAL  18           HB       VAL  18  -8.957   4.009   2.756
  123   HG11  VAL  18          1HG1      VAL  18  -6.682   4.890   2.490
  124   HG12  VAL  18          2HG1      VAL  18  -7.144   5.711   0.982
  125   HG13  VAL  18          3HG1      VAL  18  -7.856   6.200   2.525
  126   HG21  VAL  18          3HG2      VAL  18 -10.670   4.359   0.989
  127   HG22  VAL  18          1HG2      VAL  18 -10.193   5.842   1.833
  128   HG23  VAL  18          2HG2      VAL  18  -9.581   5.527   0.201
  129    H    SER  19           H        SER  19  -5.896   3.379  -0.041
  130    HA   SER  19           HA       SER  19  -6.717   3.609  -2.876
  131    HB2  SER  19           1HB      SER  19  -6.970   5.879  -2.127
  132    HB3  SER  19           2HB      SER  19  -5.417   5.840  -1.281
  133    HG   SER  19           HG       SER  19  -5.493   6.871  -3.442
  134    H    SER  20           H        SER  20  -4.989   3.405  -4.350
  135    HA   SER  20           HA       SER  20  -2.781   1.726  -3.629
  136    HB2  SER  20           1HB      SER  20  -1.990   2.220  -5.922
  137    HB3  SER  20           2HB      SER  20  -3.689   1.719  -5.870
  138    HG   SER  20           HG       SER  20  -3.379   3.553  -7.220
  139    H    ILE  21           H        ILE  21  -3.153   5.258  -3.804
  140    HA   ILE  21           HA       ILE  21  -0.346   5.916  -3.615
  141    HB   ILE  21           HB       ILE  21  -2.792   7.503  -2.747
  142   HG12  ILE  21          1HG1      ILE  21  -3.005   6.998  -5.102
  143   HG13  ILE  21          2HG1      ILE  21  -2.599   8.688  -4.888
  144   HG21  ILE  21          1HG2      ILE  21  -0.859   8.458  -1.693
  145   HG22  ILE  21          2HG2      ILE  21   0.096   8.347  -3.184
  146   HG23  ILE  21          3HG2      ILE  21  -1.267   9.487  -3.067
  147   HD11  ILE  21          3HD1      ILE  21  -0.226   8.189  -5.528
  148   HD12  ILE  21          1HD1      ILE  21  -0.686   6.488  -5.796
  149   HD13  ILE  21          2HD1      ILE  21  -1.394   7.767  -6.791
  150    H    ARG  22           H        ARG  22  -2.850   5.399  -1.132
  151    HA   ARG  22           HA       ARG  22  -1.176   5.999   1.162
  152    HB2  ARG  22           1HB      ARG  22  -3.657   4.240   0.909
  153    HB3  ARG  22           2HB      ARG  22  -2.933   4.733   2.428
  154    HG2  ARG  22           1HG      ARG  22  -4.141   6.619   0.353
  155    HG3  ARG  22           2HG      ARG  22  -4.929   6.055   1.819
  156    HD2  ARG  22           1HD      ARG  22  -2.513   7.831   1.640
  157    HD3  ARG  22           2HD      ARG  22  -4.126   8.326   2.099
  158    HE   ARG  22           HE       ARG  22  -2.136   6.961   3.770
  159   HH11  ARG  22          2HH1      ARG  22  -5.544   7.770   3.571
  160   HH12  ARG  22          1HH1      ARG  22  -5.787   7.527   5.279
  161   HH21  ARG  22          2HH2      ARG  22  -2.521   6.678   5.931
  162   HH22  ARG  22          1HH2      ARG  22  -4.118   6.930   6.572
  163    H    LEU  23           H        LEU  23  -1.852   3.006  -0.622
  164    HA   LEU  23           HA       LEU  23  -0.261   1.247   1.000
  165    HB2  LEU  23           1HB      LEU  23  -1.896   0.297  -0.415
  166    HB3  LEU  23           2HB      LEU  23  -1.369   1.220  -1.817
  167    HG   LEU  23           HG       LEU  23   0.680  -0.095  -2.004
  168   HD11  LEU  23          1HD1      LEU  23   1.019  -0.724   0.393
  169   HD12  LEU  23          2HD1      LEU  23   1.026  -2.106  -0.693
  170   HD13  LEU  23          3HD1      LEU  23  -0.416  -1.756   0.302
  171   HD21  LEU  23          3HD2      LEU  23  -0.342  -2.209  -2.695
  172   HD22  LEU  23          1HD2      LEU  23  -1.355  -0.836  -3.171
  173   HD23  LEU  23          2HD2      LEU  23  -1.800  -1.829  -1.759
  174    H    ARG  24           H        ARG  24   0.534   3.034  -2.057
  175    HA   ARG  24           HA       ARG  24   3.213   2.105  -2.274
  176    HB2  ARG  24           1HB      ARG  24   1.842   4.685  -3.119
  177    HB3  ARG  24           2HB      ARG  24   3.523   4.357  -3.539
  178    HG2  ARG  24           1HG      ARG  24   2.988   2.542  -4.959
  179    HG3  ARG  24           2HG      ARG  24   1.376   2.344  -4.271
  180    HD2  ARG  24           1HD      ARG  24   1.067   3.412  -6.397
  181    HD3  ARG  24           2HD      ARG  24   0.747   4.596  -5.133
  182    HE   ARG  24           HE       ARG  24   2.589   5.852  -5.793
  183   HH11  ARG  24          2HH1      ARG  24   2.756   2.812  -7.533
  184   HH12  ARG  24          1HH1      ARG  24   4.016   3.389  -8.590
  185   HH21  ARG  24          2HH2      ARG  24   4.194   6.513  -7.168
  186   HH22  ARG  24          1HH2      ARG  24   4.803   5.427  -8.380
  187    H    SER  25           H        SER  25   1.994   5.014  -0.657
  188    HA   SER  25           HA       SER  25   4.565   5.877   0.330
  189    HB2  SER  25           1HB      SER  25   2.548   7.324   0.036
  190    HB3  SER  25           2HB      SER  25   1.779   6.501   1.408
  191    HG   SER  25           HG       SER  25   2.858   8.476   1.988
  192    H    HIS  26           H        HIS  26   2.032   3.813   1.837
  193    HA   HIS  26           HA       HIS  26   3.057   3.601   4.454
  194    HB2  HIS  26           1HB      HIS  26   1.004   2.547   4.136
  195    HB3  HIS  26           2HB      HIS  26   1.491   1.764   2.650
  196    HD1  HIS  26           1HD      HIS  26   1.899   1.267   6.438
  197    HD2  HIS  26           2HD      HIS  26   2.591  -0.650   2.760
  198    HE1  HIS  26           1HE      HIS  26   2.415  -1.150   7.004
  199    H    ILE  27           H        ILE  27   4.032   1.711   1.568
  200    HA   ILE  27           HA       ILE  27   5.825  -0.017   2.921
  201    HB   ILE  27           HB       ILE  27   6.005   0.954   0.049
  202   HG12  ILE  27          1HG1      ILE  27   4.657  -1.609   1.019
  203   HG13  ILE  27          2HG1      ILE  27   3.764  -0.133   0.729
  204   HG21  ILE  27          1HG2      ILE  27   8.052  -0.232   0.941
  205   HG22  ILE  27          2HG2      ILE  27   7.024  -1.648   1.253
  206   HG23  ILE  27          3HG2      ILE  27   7.269  -1.053  -0.403
  207   HD11  ILE  27          3HD1      ILE  27   3.570  -1.464  -1.238
  208   HD12  ILE  27          1HD1      ILE  27   4.620  -0.080  -1.624
  209   HD13  ILE  27          2HD1      ILE  27   5.324  -1.691  -1.349
  210    H    ARG  28           H        ARG  28   6.331   3.277   1.702
  211    HA   ARG  28           HA       ARG  28   9.230   3.202   2.085
  212    HB2  ARG  28           1HB      ARG  28   7.669   5.760   1.977
  213    HB3  ARG  28           2HB      ARG  28   9.272   5.391   1.345
  214    HG2  ARG  28           1HG      ARG  28   6.578   4.581   0.220
  215    HG3  ARG  28           2HG      ARG  28   7.692   5.745  -0.482
  216    HD2  ARG  28           1HD      ARG  28   9.219   4.054  -1.141
  217    HD3  ARG  28           2HD      ARG  28   8.419   2.811  -0.153
  218    HE   ARG  28           HE       ARG  28   6.397   3.493  -1.767
  219   HH11  ARG  28          2HH1      ARG  28   9.656   2.389  -2.455
  220   HH12  ARG  28          1HH1      ARG  28   9.195   1.708  -3.999
  221   HH21  ARG  28          2HH2      ARG  28   5.893   2.643  -3.757
  222   HH22  ARG  28          1HH2      ARG  28   7.108   1.823  -4.694
  223    H    GLU  29           H        GLU  29   6.453   4.328   3.948
  224    HA   GLU  29           HA       GLU  29   7.940   5.660   6.017
  225    HB2  GLU  29           1HB      GLU  29   5.104   4.576   5.869
  226    HB3  GLU  29           2HB      GLU  29   5.717   5.455   7.264
  227    HG2  GLU  29           1HG      GLU  29   5.678   6.606   4.440
  228    HG3  GLU  29           2HG      GLU  29   4.398   6.835   5.624
  229    H    VAL  30           H        VAL  30   6.711   2.279   5.824
  230    HA   VAL  30           HA       VAL  30   8.101   1.772   8.434
  231    HB   VAL  30           HB       VAL  30   6.544   0.208   9.015
  232   HG11  VAL  30          1HG1      VAL  30   5.865   2.594   9.305
  233   HG12  VAL  30          2HG1      VAL  30   4.933   2.475   7.793
  234   HG13  VAL  30          3HG1      VAL  30   4.482   1.484   9.197
  235   HG21  VAL  30          3HG2      VAL  30   6.044  -0.971   6.947
  236   HG22  VAL  30          1HG2      VAL  30   4.568  -0.461   7.750
  237   HG23  VAL  30          2HG2      VAL  30   5.150   0.434   6.331
  238    H    HIS  31           H        HIS  31   7.876   0.516   5.157
  239    HA   HIS  31           HA       HIS  31   9.624  -1.787   5.968
  240    HB2  HIS  31           1HB      HIS  31   8.214  -1.399   3.322
  241    HB3  HIS  31           2HB      HIS  31   9.086  -2.814   3.879
  242    HD1  HIS  31           1HD      HIS  31   7.807  -3.590   6.541
  243    HD2  HIS  31           2HD      HIS  31   5.716  -2.054   3.246
  244    HE1  HIS  31           1HE      HIS  31   5.407  -4.360   6.818
  245    H    GLY  32           H        GLY  32   9.804   1.303   4.624
  246    HA2  GLY  32           1HA      GLY  32  11.541   2.575   3.912
  247    HA3  GLY  32           2HA      GLY  32  12.625   1.334   4.553
  248    H    ALA  33           H        ALA  33  10.408   0.679   1.847
  249    HA   ALA  33           HA       ALA  33  12.628  -0.139   0.172
  250    HB1  ALA  33           1HB      ALA  33  10.911  -0.780  -1.409
  251    HB2  ALA  33           2HB      ALA  33  10.425  -1.283   0.222
  252    HB3  ALA  33           3HB      ALA  33   9.690   0.157  -0.533
  253    H    ALA  34           H        ALA  34  13.959   1.577  -0.349
  254    HA   ALA  34           HA       ALA  34  13.072   3.355  -2.492
  255    HB1  ALA  34           1HB      ALA  34  13.930   5.384  -1.349
  256    HB2  ALA  34           2HB      ALA  34  12.543   4.692  -0.489
  257    HB3  ALA  34           3HB      ALA  34  14.188   4.443   0.136
  258    H    GLN  35           H        GLN  35  14.575   3.339  -3.961
  259    HA   GLN  35           HA       GLN  35  17.330   2.362  -3.428
  260    HB2  GLN  35           1HB      GLN  35  15.862   2.778  -6.058
  261    HB3  GLN  35           2HB      GLN  35  17.467   2.083  -5.867
  262    HG2  GLN  35           1HG      GLN  35  14.849   0.884  -4.852
  263    HG3  GLN  35           2HG      GLN  35  15.795   0.336  -6.227
  264   HE21  GLN  35          1HE2      GLN  35  18.159  -0.388  -5.671
  265   HE22  GLN  35          2HE2      GLN  35  18.330  -1.250  -4.147
  Start of MODEL    5
    1    H1   GLY   1           1H       GLY   1 -26.260  -6.219   1.230
    2    H2   GLY   1           2H       GLY   1 -26.574  -7.800   1.514
    3    H3   GLY   1           3H       GLY   1 -27.646  -6.892   0.670
    4    HA2  GLY   1           1HA      GLY   1 -26.422  -8.325  -0.825
    5    HA3  GLY   1           2HA      GLY   1 -26.103  -6.609  -1.144
    6    H    SER   2           H        SER   2 -24.415  -8.911  -1.782
    7    HA   SER   2           HA       SER   2 -22.218  -9.163   0.026
    8    HB2  SER   2           1HB      SER   2 -22.288  -9.632  -2.977
    9    HB3  SER   2           2HB      SER   2 -21.069 -10.244  -1.843
   10    HG   SER   2           HG       SER   2 -22.702 -11.805  -2.302
   11    H    SER   3           H        SER   3 -20.132  -8.320   0.017
   12    HA   SER   3           HA       SER   3 -19.804  -5.597  -0.993
   13    HB2  SER   3           1HB      SER   3 -17.627  -5.724   0.222
   14    HB3  SER   3           2HB      SER   3 -19.058  -6.022   1.223
   15    HG   SER   3           HG       SER   3 -17.379  -7.545   1.624
   16    H    GLY   4           H        GLY   4 -18.088  -4.844  -2.279
   17    HA2  GLY   4           1HA      GLY   4 -17.270  -6.591  -4.503
   18    HA3  GLY   4           2HA      GLY   4 -16.991  -4.862  -4.345
   19    H    SER   5           H        SER   5 -14.987  -6.278  -5.327
   20    HA   SER   5           HA       SER   5 -13.036  -7.144  -3.350
   21    HB2  SER   5           1HB      SER   5 -12.700  -6.627  -6.323
   22    HB3  SER   5           2HB      SER   5 -11.568  -7.492  -5.265
   23    HG   SER   5           HG       SER   5 -12.950  -8.921  -6.425
   24    H    SER   6           H        SER   6 -13.760  -4.649  -2.583
   25    HA   SER   6           HA       SER   6 -12.290  -2.494  -3.748
   26    HB2  SER   6           1HB      SER   6 -13.669  -2.650  -1.045
   27    HB3  SER   6           2HB      SER   6 -13.204  -1.170  -1.908
   28    HG   SER   6           HG       SER   6 -15.406  -1.694  -2.259
   29    H    GLY   7           H        GLY   7 -10.707  -1.147  -2.883
   30    HA2  GLY   7           1HA      GLY   7  -8.948  -0.440  -1.565
   31    HA3  GLY   7           2HA      GLY   7  -9.189  -1.789  -0.471
   32    H    TYR   8           H        TYR   8  -6.730  -1.060  -0.929
   33    HA   TYR   8           HA       TYR   8  -5.466  -3.021  -2.824
   34    HB2  TYR   8           1HB      TYR   8  -4.451  -0.300  -1.910
   35    HB3  TYR   8           2HB      TYR   8  -3.603  -1.418  -2.965
   36    HD1  TYR   8           2HD      TYR   8  -6.643   0.748  -2.716
   37    HD2  TYR   8           1HD      TYR   8  -4.010  -1.470  -5.318
   38    HE1  TYR   8           2HE      TYR   8  -7.742   1.771  -4.690
   39    HE2  TYR   8           1HE      TYR   8  -5.094  -0.420  -7.299
   40    HH   TYR   8           HH       TYR   8  -7.794   1.921  -6.985
   41    H    VAL   9           H        VAL   9  -3.680  -4.234  -2.009
   42    HA   VAL   9           HA       VAL   9  -3.373  -4.100   0.959
   43    HB   VAL   9           HB       VAL   9  -3.464  -6.640  -0.683
   44   HG11  VAL   9          1HG1      VAL   9  -3.473  -6.113   2.327
   45   HG12  VAL   9          2HG1      VAL   9  -3.693  -7.702   1.565
   46   HG13  VAL   9          3HG1      VAL   9  -2.156  -6.853   1.399
   47   HG21  VAL   9          3HG2      VAL   9  -5.714  -5.653  -0.662
   48   HG22  VAL   9          1HG2      VAL   9  -5.658  -7.031   0.437
   49   HG23  VAL   9          2HG2      VAL   9  -5.599  -5.380   1.092
   50    H    CYS  10           H        CYS  10  -1.455  -4.281   1.873
   51    HA   CYS  10           HA       CYS  10   0.965  -3.892   0.414
   52    HB2  CYS  10           1HB      CYS  10   0.403  -3.105   2.705
   53    HB3  CYS  10           2HB      CYS  10   0.451  -4.780   3.276
   54    H    ALA  11           H        ALA  11   2.209  -5.281  -0.631
   55    HA   ALA  11           HA       ALA  11   1.774  -8.145  -0.540
   56    HB1  ALA  11           1HB      ALA  11   3.978  -6.496  -1.854
   57    HB2  ALA  11           2HB      ALA  11   3.607  -8.200  -2.182
   58    HB3  ALA  11           3HB      ALA  11   2.423  -6.945  -2.590
   59    H    LEU  12           H        LEU  12   3.388  -6.157   1.628
   60    HA   LEU  12           HA       LEU  12   5.506  -8.138   2.319
   61    HB2  LEU  12           1HB      LEU  12   5.207  -5.227   3.144
   62    HB3  LEU  12           2HB      LEU  12   6.514  -6.318   3.546
   63    HG   LEU  12           HG       LEU  12   6.974  -6.492   1.013
   64   HD11  LEU  12          1HD1      LEU  12   5.005  -5.417   0.002
   65   HD12  LEU  12          2HD1      LEU  12   6.393  -4.376  -0.255
   66   HD13  LEU  12          3HD1      LEU  12   5.223  -3.978   1.017
   67   HD21  LEU  12          3HD2      LEU  12   7.252  -3.826   2.413
   68   HD22  LEU  12          1HD2      LEU  12   8.300  -4.420   1.105
   69   HD23  LEU  12          2HD2      LEU  12   8.312  -5.224   2.687
   70    H    CYS  13           H        CYS  13   3.158  -6.014   3.935
   71    HA   CYS  13           HA       CYS  13   3.064  -7.916   6.234
   72    HB2  CYS  13           1HB      CYS  13   2.527  -6.207   7.716
   73    HB3  CYS  13           2HB      CYS  13   3.972  -5.791   6.814
   74    H    LEU  14           H        LEU  14   1.138  -7.353   3.636
   75    HA   LEU  14           HA       LEU  14  -0.960  -7.873   3.066
   76    HB2  LEU  14           1HB      LEU  14  -0.633  -9.745   5.409
   77    HB3  LEU  14           2HB      LEU  14  -2.039  -9.774   4.378
   78    HG   LEU  14           HG       LEU  14  -0.506 -11.503   3.771
   79   HD11  LEU  14          1HD1      LEU  14  -0.570  -9.427   1.549
   80   HD12  LEU  14          2HD1      LEU  14  -1.931 -10.473   2.018
   81   HD13  LEU  14          3HD1      LEU  14  -0.439 -11.187   1.383
   82   HD21  LEU  14          3HD2      LEU  14   1.652 -10.375   4.357
   83   HD22  LEU  14          1HD2      LEU  14   1.521  -9.443   2.844
   84   HD23  LEU  14          2HD2      LEU  14   1.647 -11.206   2.791
   85    H    LYS  15           H        LYS  15  -0.679  -5.581   4.941
   86    HA   LYS  15           HA       LYS  15  -3.349  -5.239   6.107
   87    HB2  LYS  15           1HB      LYS  15  -1.330  -4.125   7.041
   88    HB3  LYS  15           2HB      LYS  15  -1.104  -3.304   5.479
   89    HG2  LYS  15           1HG      LYS  15  -3.159  -2.080   5.760
   90    HG3  LYS  15           2HG      LYS  15  -3.616  -3.032   7.191
   91    HD2  LYS  15           1HD      LYS  15  -1.703  -2.041   8.417
   92    HD3  LYS  15           2HD      LYS  15  -1.279  -1.085   6.994
   93    HE2  LYS  15           1HE      LYS  15  -3.884  -0.960   8.585
   94    HE3  LYS  15           2HE      LYS  15  -2.580   0.225   8.608
   95    HZ1  LYS  15           3HZ      LYS  15  -4.372   0.962   7.159
   96    HZ2  LYS  15           1HZ      LYS  15  -4.308  -0.393   6.249
   97    HZ3  LYS  15           2HZ      LYS  15  -3.060   0.662   6.228
   98    H    LYS  16           H        LYS  16  -5.105  -4.209   5.217
   99    HA   LYS  16           HA       LYS  16  -5.014  -3.370   2.392
  100    HB2  LYS  16           1HB      LYS  16  -6.780  -4.887   3.172
  101    HB3  LYS  16           2HB      LYS  16  -7.383  -3.643   4.273
  102    HG2  LYS  16           1HG      LYS  16  -7.995  -2.200   2.442
  103    HG3  LYS  16           2HG      LYS  16  -7.170  -3.215   1.255
  104    HD2  LYS  16           1HD      LYS  16  -9.539  -4.174   2.909
  105    HD3  LYS  16           2HD      LYS  16  -9.699  -3.352   1.348
  106    HE2  LYS  16           1HE      LYS  16  -8.121  -5.134   0.385
  107    HE3  LYS  16           2HE      LYS  16  -8.352  -6.029   1.896
  108    HZ1  LYS  16           3HZ      LYS  16 -10.767  -6.009   1.405
  109    HZ2  LYS  16           1HZ      LYS  16  -9.938  -6.736   0.198
  110    HZ3  LYS  16           2HZ      LYS  16 -10.490  -5.209  -0.004
  111    H    PHE  17           H        PHE  17  -5.652  -1.455   1.595
  112    HA   PHE  17           HA       PHE  17  -5.835   0.975   3.314
  113    HB2  PHE  17           1HB      PHE  17  -4.109   0.503   0.842
  114    HB3  PHE  17           2HB      PHE  17  -4.406   2.082   1.547
  115    HD1  PHE  17           1HD      PHE  17  -2.740  -1.188   2.081
  116    HD2  PHE  17           2HD      PHE  17  -3.346   2.805   3.600
  117    HE1  PHE  17           1HE      PHE  17  -0.933  -1.541   3.744
  118    HE2  PHE  17           2HE      PHE  17  -1.503   2.466   5.230
  119    HZ   PHE  17           HZ       PHE  17  -0.346   0.266   5.336
  120    H    VAL  18           H        VAL  18  -6.896   2.741   2.371
  121    HA   VAL  18           HA       VAL  18  -9.177   2.179   0.739
  122    HB   VAL  18           HB       VAL  18  -9.121   3.856   2.506
  123   HG11  VAL  18          1HG1      VAL  18  -7.361   5.571   0.686
  124   HG12  VAL  18          2HG1      VAL  18  -8.105   6.069   2.212
  125   HG13  VAL  18          3HG1      VAL  18  -6.873   4.812   2.219
  126   HG21  VAL  18          3HG2      VAL  18  -9.764   5.196  -0.144
  127   HG22  VAL  18          1HG2      VAL  18 -10.814   4.035   0.702
  128   HG23  VAL  18          2HG2      VAL  18 -10.416   5.587   1.456
  129    H    SER  19           H        SER  19  -5.976   3.347  -0.126
  130    HA   SER  19           HA       SER  19  -6.659   3.298  -3.004
  131    HB2  SER  19           1HB      SER  19  -7.116   5.596  -2.434
  132    HB3  SER  19           2HB      SER  19  -5.587   5.741  -1.553
  133    HG   SER  19           HG       SER  19  -5.647   6.587  -3.779
  134    H    SER  20           H        SER  20  -4.880   3.095  -4.362
  135    HA   SER  20           HA       SER  20  -2.601   1.627  -3.514
  136    HB2  SER  20           1HB      SER  20  -3.513   1.745  -5.843
  137    HB3  SER  20           2HB      SER  20  -2.914   3.405  -5.967
  138    HG   SER  20           HG       SER  20  -1.428   0.992  -5.665
  139    H    ILE  21           H        ILE  21  -3.112   5.165  -3.809
  140    HA   ILE  21           HA       ILE  21  -0.322   5.867  -3.536
  141    HB   ILE  21           HB       ILE  21  -2.911   7.413  -3.284
  142   HG12  ILE  21          1HG1      ILE  21  -2.009   8.648  -5.225
  143   HG13  ILE  21          2HG1      ILE  21  -0.540   7.677  -5.200
  144   HG21  ILE  21          1HG2      ILE  21  -0.093   8.474  -2.811
  145   HG22  ILE  21          2HG2      ILE  21  -1.519   9.495  -3.113
  146   HG23  ILE  21          3HG2      ILE  21  -1.453   8.497  -1.664
  147   HD11  ILE  21          3HD1      ILE  21  -2.182   7.076  -6.992
  148   HD12  ILE  21          1HD1      ILE  21  -1.759   5.715  -5.951
  149   HD13  ILE  21          2HD1      ILE  21  -3.322   6.552  -5.736
  150    H    ARG  22           H        ARG  22  -2.916   5.427  -1.124
  151    HA   ARG  22           HA       ARG  22  -1.343   6.238   1.187
  152    HB2  ARG  22           1HB      ARG  22  -3.662   4.257   1.023
  153    HB3  ARG  22           2HB      ARG  22  -3.011   4.958   2.491
  154    HG2  ARG  22           1HG      ARG  22  -4.561   6.371   0.299
  155    HG3  ARG  22           2HG      ARG  22  -5.059   6.068   1.960
  156    HD2  ARG  22           1HD      ARG  22  -2.914   7.971   1.034
  157    HD3  ARG  22           2HD      ARG  22  -4.512   8.399   1.646
  158    HE   ARG  22           HE       ARG  22  -3.337   6.890   3.688
  159   HH11  ARG  22          2HH1      ARG  22  -2.636   9.964   2.161
  160   HH12  ARG  22          1HH1      ARG  22  -1.865  10.599   3.589
  161   HH21  ARG  22          2HH2      ARG  22  -2.332   7.758   5.469
  162   HH22  ARG  22          1HH2      ARG  22  -1.705   9.378   5.409
  163    H    LEU  23           H        LEU  23  -1.797   3.137  -0.484
  164    HA   LEU  23           HA       LEU  23  -0.225   1.566   1.322
  165    HB2  LEU  23           1HB      LEU  23  -1.848   0.503  -0.055
  166    HB3  LEU  23           2HB      LEU  23  -1.217   1.237  -1.524
  167    HG   LEU  23           HG       LEU  23   0.819  -0.098  -1.392
  168   HD11  LEU  23          1HD1      LEU  23  -0.454  -1.603   0.928
  169   HD12  LEU  23          2HD1      LEU  23   0.837  -0.411   1.147
  170   HD13  LEU  23          3HD1      LEU  23   1.154  -1.844   0.195
  171   HD21  LEU  23          3HD2      LEU  23  -1.726  -1.746  -1.169
  172   HD22  LEU  23          1HD2      LEU  23  -0.198  -2.281  -1.902
  173   HD23  LEU  23          2HD2      LEU  23  -1.112  -0.951  -2.637
  174    H    ARG  24           H        ARG  24   0.634   3.222  -1.782
  175    HA   ARG  24           HA       ARG  24   3.294   2.298  -2.028
  176    HB2  ARG  24           1HB      ARG  24   2.016   4.967  -2.738
  177    HB3  ARG  24           2HB      ARG  24   3.682   4.583  -3.169
  178    HG2  ARG  24           1HG      ARG  24   3.050   2.776  -4.608
  179    HG3  ARG  24           2HG      ARG  24   1.409   2.751  -3.996
  180    HD2  ARG  24           1HD      ARG  24   1.373   5.276  -4.889
  181    HD3  ARG  24           2HD      ARG  24   2.710   4.694  -5.893
  182    HE   ARG  24           HE       ARG  24   0.243   3.045  -5.859
  183   HH11  ARG  24          2HH1      ARG  24   1.892   5.587  -7.642
  184   HH12  ARG  24          1HH1      ARG  24   0.900   5.331  -9.053
  185   HH21  ARG  24          2HH2      ARG  24  -0.932   2.791  -7.600
  186   HH22  ARG  24          1HH2      ARG  24  -0.675   3.751  -9.046
  187    H    SER  25           H        SER  25   2.232   5.299  -0.410
  188    HA   SER  25           HA       SER  25   4.813   5.941   0.638
  189    HB2  SER  25           1HB      SER  25   1.993   6.790   1.374
  190    HB3  SER  25           2HB      SER  25   3.454   7.508   2.109
  191    HG   SER  25           HG       SER  25   2.712   8.694   0.272
  192    H    HIS  26           H        HIS  26   2.139   4.009   2.118
  193    HA   HIS  26           HA       HIS  26   3.303   3.656   4.691
  194    HB2  HIS  26           1HB      HIS  26   1.162   2.772   4.480
  195    HB3  HIS  26           2HB      HIS  26   1.489   2.000   2.943
  196    HD1  HIS  26           1HD      HIS  26   1.885   1.331   6.678
  197    HD2  HIS  26           2HD      HIS  26   2.632  -0.441   2.936
  198    HE1  HIS  26           1HE      HIS  26   2.294  -1.130   7.146
  199    H    ILE  27           H        ILE  27   3.989   1.848   1.624
  200    HA   ILE  27           HA       ILE  27   5.843   0.062   2.874
  201    HB   ILE  27           HB       ILE  27   5.830   0.976  -0.024
  202   HG12  ILE  27          1HG1      ILE  27   4.587  -1.575   1.114
  203   HG13  ILE  27          2HG1      ILE  27   3.653  -0.122   0.823
  204   HG21  ILE  27          1HG2      ILE  27   7.091  -1.069  -0.471
  205   HG22  ILE  27          2HG2      ILE  27   7.944  -0.137   0.747
  206   HG23  ILE  27          3HG2      ILE  27   6.980  -1.549   1.235
  207   HD11  ILE  27          3HD1      ILE  27   3.366  -1.539  -1.078
  208   HD12  ILE  27          1HD1      ILE  27   4.360  -0.152  -1.579
  209   HD13  ILE  27          2HD1      ILE  27   5.114  -1.737  -1.284
  210    H    ARG  28           H        ARG  28   6.357   3.299   1.417
  211    HA   ARG  28           HA       ARG  28   9.239   3.206   1.743
  212    HB2  ARG  28           1HB      ARG  28   7.574   5.738   1.675
  213    HB3  ARG  28           2HB      ARG  28   9.260   5.517   1.215
  214    HG2  ARG  28           1HG      ARG  28   6.775   4.676  -0.283
  215    HG3  ARG  28           2HG      ARG  28   8.033   5.794  -0.793
  216    HD2  ARG  28           1HD      ARG  28   9.613   3.820  -0.860
  217    HD3  ARG  28           2HD      ARG  28   8.208   2.765  -0.558
  218    HE   ARG  28           HE       ARG  28   7.289   4.082  -2.684
  219   HH11  ARG  28          2HH1      ARG  28  10.517   2.659  -2.325
  220   HH12  ARG  28          1HH1      ARG  28  10.598   2.411  -4.085
  221   HH21  ARG  28          2HH2      ARG  28   7.643   3.674  -4.909
  222   HH22  ARG  28          1HH2      ARG  28   9.174   2.914  -5.355
  223    H    GLU  29           H        GLU  29   6.652   4.471   3.830
  224    HA   GLU  29           HA       GLU  29   8.466   5.584   5.813
  225    HB2  GLU  29           1HB      GLU  29   5.480   4.975   5.822
  226    HB3  GLU  29           2HB      GLU  29   6.327   5.733   7.174
  227    HG2  GLU  29           1HG      GLU  29   7.063   7.571   5.705
  228    HG3  GLU  29           2HG      GLU  29   6.180   6.857   4.357
  229    H    VAL  30           H        VAL  30   6.713   2.501   5.576
  230    HA   VAL  30           HA       VAL  30   7.599   1.766   8.320
  231    HB   VAL  30           HB       VAL  30   5.350   0.574   6.664
  232   HG11  VAL  30          1HG1      VAL  30   4.484  -0.155   8.873
  233   HG12  VAL  30          2HG1      VAL  30   6.037  -0.897   8.495
  234   HG13  VAL  30          3HG1      VAL  30   5.962   0.459   9.645
  235   HG21  VAL  30          3HG2      VAL  30   4.839   2.956   7.037
  236   HG22  VAL  30          1HG2      VAL  30   3.846   1.974   8.111
  237   HG23  VAL  30          2HG2      VAL  30   5.280   2.808   8.748
  238    H    HIS  31           H        HIS  31   7.911   0.640   4.992
  239    HA   HIS  31           HA       HIS  31   9.484  -1.709   6.001
  240    HB2  HIS  31           1HB      HIS  31   8.123  -1.389   3.317
  241    HB3  HIS  31           2HB      HIS  31   8.988  -2.800   3.907
  242    HD1  HIS  31           1HD      HIS  31   7.719  -3.480   6.604
  243    HD2  HIS  31           2HD      HIS  31   5.611  -1.997   3.293
  244    HE1  HIS  31           1HE      HIS  31   5.314  -4.225   6.919
  245    H    GLY  32           H        GLY  32   9.784   1.295   4.320
  246    HA2  GLY  32           1HA      GLY  32  11.646   2.424   3.647
  247    HA3  GLY  32           2HA      GLY  32  12.635   1.177   4.412
  248    H    ALA  33           H        ALA  33  10.432   0.389   1.739
  249    HA   ALA  33           HA       ALA  33  12.477  -0.834   0.216
  250    HB1  ALA  33           1HB      ALA  33  10.074  -1.500   0.213
  251    HB2  ALA  33           2HB      ALA  33   9.691   0.007  -0.665
  252    HB3  ALA  33           3HB      ALA  33  10.718  -1.227  -1.416
  253    H    ALA  34           H        ALA  34  13.772  -0.105  -1.178
  254    HA   ALA  34           HA       ALA  34  13.749   2.673  -2.177
  255    HB1  ALA  34           1HB      ALA  34  15.748   1.745  -1.066
  256    HB2  ALA  34           2HB      ALA  34  15.893   0.522  -2.350
  257    HB3  ALA  34           3HB      ALA  34  16.092   2.246  -2.730
  258    H    GLN  35           H        GLN  35  12.127   0.230  -3.346
  259    HA   GLN  35           HA       GLN  35  13.050  -0.229  -6.016
  260    HB2  GLN  35           1HB      GLN  35  10.281  -0.593  -4.795
  261    HB3  GLN  35           2HB      GLN  35  10.805  -1.247  -6.343
  262    HG2  GLN  35           1HG      GLN  35  11.964  -1.987  -3.615
  263    HG3  GLN  35           2HG      GLN  35  10.851  -2.952  -4.573
  264   HE21  GLN  35          1HE2      GLN  35  11.680  -3.682  -6.813
  265   HE22  GLN  35          2HE2      GLN  35  13.403  -4.018  -6.923
  Start of MODEL    6
    1    H1   GLY   1           1H       GLY   1 -18.899   5.740  -6.307
    2    H2   GLY   1           2H       GLY   1 -18.118   6.322  -4.991
    3    H3   GLY   1           3H       GLY   1 -19.563   6.956  -5.431
    4    HA2  GLY   1           1HA      GLY   1 -19.843   5.517  -3.524
    5    HA3  GLY   1           2HA      GLY   1 -20.703   4.902  -4.947
    6    H    SER   2           H        SER   2 -19.478   3.569  -2.516
    7    HA   SER   2           HA       SER   2 -17.878   1.460  -3.905
    8    HB2  SER   2           1HB      SER   2 -17.202   2.719  -1.219
    9    HB3  SER   2           2HB      SER   2 -16.377   1.338  -1.963
   10    HG   SER   2           HG       SER   2 -15.280   3.327  -2.337
   11    H    SER   3           H        SER   3 -17.960  -0.611  -2.960
   12    HA   SER   3           HA       SER   3 -19.803  -1.149  -0.718
   13    HB2  SER   3           1HB      SER   3 -21.114  -2.772  -2.017
   14    HB3  SER   3           2HB      SER   3 -21.296  -1.129  -2.644
   15    HG   SER   3           HG       SER   3 -20.969  -2.663  -4.322
   16    H    GLY   4           H        GLY   4 -19.770  -3.403  -0.019
   17    HA2  GLY   4           1HA      GLY   4 -18.743  -5.388   0.554
   18    HA3  GLY   4           2HA      GLY   4 -17.809  -5.298  -0.935
   19    H    SER   5           H        SER   5 -16.170  -6.291   0.445
   20    HA   SER   5           HA       SER   5 -14.771  -4.550   2.386
   21    HB2  SER   5           1HB      SER   5 -13.613  -6.624   3.031
   22    HB3  SER   5           2HB      SER   5 -15.375  -6.768   3.126
   23    HG   SER   5           HG       SER   5 -14.427  -8.590   2.099
   24    H    SER   6           H        SER   6 -14.575  -4.530  -0.784
   25    HA   SER   6           HA       SER   6 -11.959  -5.280  -1.512
   26    HB2  SER   6           1HB      SER   6 -13.732  -3.144  -2.752
   27    HB3  SER   6           2HB      SER   6 -12.338  -3.925  -3.524
   28    HG   SER   6           HG       SER   6 -14.334  -4.912  -4.115
   29    H    GLY   7           H        GLY   7 -10.053  -4.196  -1.887
   30    HA2  GLY   7           1HA      GLY   7  -9.528  -1.431  -1.650
   31    HA3  GLY   7           2HA      GLY   7  -9.171  -2.172  -0.087
   32    H    TYR   8           H        TYR   8  -7.083  -1.055  -1.177
   33    HA   TYR   8           HA       TYR   8  -5.496  -2.955  -2.825
   34    HB2  TYR   8           1HB      TYR   8  -4.775  -0.255  -1.626
   35    HB3  TYR   8           2HB      TYR   8  -3.771  -1.204  -2.708
   36    HD1  TYR   8           2HD      TYR   8  -6.874   0.835  -2.484
   37    HD2  TYR   8           1HD      TYR   8  -4.174  -1.285  -5.099
   38    HE1  TYR   8           2HE      TYR   8  -7.944   1.908  -4.463
   39    HE2  TYR   8           1HE      TYR   8  -5.235  -0.203  -7.072
   40    HH   TYR   8           HH       TYR   8  -6.849   1.249  -7.813
   41    H    VAL   9           H        VAL   9  -3.646  -4.099  -1.965
   42    HA   VAL   9           HA       VAL   9  -3.369  -4.025   1.000
   43    HB   VAL   9           HB       VAL   9  -3.621  -6.576  -0.620
   44   HG11  VAL   9          1HG1      VAL   9  -3.281  -6.032   2.367
   45   HG12  VAL   9          2HG1      VAL   9  -3.739  -7.610   1.684
   46   HG13  VAL   9          3HG1      VAL   9  -2.175  -6.905   1.291
   47   HG21  VAL   9          3HG2      VAL   9  -5.571  -5.307   1.350
   48   HG22  VAL   9          1HG2      VAL   9  -5.837  -5.514  -0.396
   49   HG23  VAL   9          2HG2      VAL   9  -5.725  -6.931   0.646
   50    H    CYS  10           H        CYS  10  -1.445  -4.302   1.856
   51    HA   CYS  10           HA       CYS  10   0.957  -3.926   0.393
   52    HB2  CYS  10           1HB      CYS  10   0.446  -3.268   2.730
   53    HB3  CYS  10           2HB      CYS  10   0.482  -4.973   3.202
   54    H    ALA  11           H        ALA  11   2.438  -5.225  -0.453
   55    HA   ALA  11           HA       ALA  11   1.913  -8.107  -0.681
   56    HB1  ALA  11           1HB      ALA  11   3.785  -8.055  -2.268
   57    HB2  ALA  11           2HB      ALA  11   2.611  -6.779  -2.637
   58    HB3  ALA  11           3HB      ALA  11   4.143  -6.372  -1.828
   59    H    LEU  12           H        LEU  12   3.428  -6.217   1.641
   60    HA   LEU  12           HA       LEU  12   5.545  -8.225   2.280
   61    HB2  LEU  12           1HB      LEU  12   5.330  -5.335   3.184
   62    HB3  LEU  12           2HB      LEU  12   6.640  -6.460   3.459
   63    HG   LEU  12           HG       LEU  12   6.918  -6.488   0.855
   64   HD11  LEU  12          1HD1      LEU  12   4.903  -5.224   0.146
   65   HD12  LEU  12          2HD1      LEU  12   6.346  -4.287  -0.204
   66   HD13  LEU  12          3HD1      LEU  12   5.353  -3.880   1.207
   67   HD21  LEU  12          3HD2      LEU  12   8.455  -5.469   2.494
   68   HD22  LEU  12          1HD2      LEU  12   7.438  -4.017   2.510
   69   HD23  LEU  12          2HD2      LEU  12   8.327  -4.463   1.034
   70    H    CYS  13           H        CYS  13   3.251  -6.064   3.932
   71    HA   CYS  13           HA       CYS  13   3.110  -7.983   6.214
   72    HB2  CYS  13           1HB      CYS  13   2.574  -6.259   7.695
   73    HB3  CYS  13           2HB      CYS  13   4.043  -5.865   6.820
   74    H    LEU  14           H        LEU  14   1.232  -7.238   3.606
   75    HA   LEU  14           HA       LEU  14  -0.897  -7.607   2.992
   76    HB2  LEU  14           1HB      LEU  14  -0.527  -9.739   5.078
   77    HB3  LEU  14           2HB      LEU  14  -2.008  -9.600   4.148
   78    HG   LEU  14           HG       LEU  14  -0.798  -9.837   2.032
   79   HD11  LEU  14          1HD1      LEU  14   1.537 -10.769   2.055
   80   HD12  LEU  14          2HD1      LEU  14   1.672 -10.290   3.764
   81   HD13  LEU  14          3HD1      LEU  14   1.460  -9.068   2.483
   82   HD21  LEU  14          3HD2      LEU  14  -1.756 -11.785   3.204
   83   HD22  LEU  14          1HD2      LEU  14  -0.215 -12.041   4.050
   84   HD23  LEU  14          2HD2      LEU  14  -0.312 -12.228   2.285
   85    H    LYS  15           H        LYS  15  -0.574  -5.470   4.895
   86    HA   LYS  15           HA       LYS  15  -3.165  -5.102   6.212
   87    HB2  LYS  15           1HB      LYS  15  -0.981  -4.129   6.954
   88    HB3  LYS  15           2HB      LYS  15  -0.957  -3.185   5.446
   89    HG2  LYS  15           1HG      LYS  15  -2.875  -1.887   6.134
   90    HG3  LYS  15           2HG      LYS  15  -3.230  -2.977   7.479
   91    HD2  LYS  15           1HD      LYS  15  -0.724  -1.246   7.296
   92    HD3  LYS  15           2HD      LYS  15  -2.211  -0.784   8.138
   93    HE2  LYS  15           1HE      LYS  15  -2.008  -2.863   9.548
   94    HE3  LYS  15           2HE      LYS  15  -0.444  -3.187   8.788
   95    HZ1  LYS  15           3HZ      LYS  15  -0.184  -2.008  10.892
   96    HZ2  LYS  15           1HZ      LYS  15  -1.103  -0.764  10.380
   97    HZ3  LYS  15           2HZ      LYS  15   0.348  -1.054   9.682
   98    H    LYS  16           H        LYS  16  -4.892  -3.875   5.495
   99    HA   LYS  16           HA       LYS  16  -5.047  -3.341   2.588
  100    HB2  LYS  16           1HB      LYS  16  -6.634  -4.890   3.663
  101    HB3  LYS  16           2HB      LYS  16  -7.262  -3.568   4.651
  102    HG2  LYS  16           1HG      LYS  16  -8.076  -2.395   2.672
  103    HG3  LYS  16           2HG      LYS  16  -7.318  -3.572   1.592
  104    HD2  LYS  16           1HD      LYS  16  -9.484  -4.263   3.622
  105    HD3  LYS  16           2HD      LYS  16  -9.812  -3.833   1.937
  106    HE2  LYS  16           1HE      LYS  16  -8.504  -5.734   1.127
  107    HE3  LYS  16           2HE      LYS  16  -8.033  -6.168   2.776
  108    HZ1  LYS  16           3HZ      LYS  16  -9.932  -7.488   1.940
  109    HZ2  LYS  16           1HZ      LYS  16 -10.845  -6.128   1.819
  110    HZ3  LYS  16           2HZ      LYS  16 -10.334  -6.648   3.281
  111    H    PHE  17           H        PHE  17  -5.779  -1.508   1.665
  112    HA   PHE  17           HA       PHE  17  -5.856   1.028   3.232
  113    HB2  PHE  17           1HB      PHE  17  -4.187   0.363   0.771
  114    HB3  PHE  17           2HB      PHE  17  -4.391   1.982   1.422
  115    HD1  PHE  17           2HD      PHE  17  -3.460   2.614   3.635
  116    HD2  PHE  17           1HD      PHE  17  -2.723  -1.264   1.888
  117    HE1  PHE  17           2HE      PHE  17  -1.662   2.203   5.297
  118    HE2  PHE  17           1HE      PHE  17  -0.923  -1.661   3.542
  119    HZ   PHE  17           HZ       PHE  17  -0.427   0.047   5.274
  120    H    VAL  18           H        VAL  18  -6.858   2.758   2.312
  121    HA   VAL  18           HA       VAL  18  -9.167   2.334   0.669
  122    HB   VAL  18           HB       VAL  18  -9.172   3.940   2.443
  123   HG11  VAL  18          1HG1      VAL  18  -7.101   5.579   0.929
  124   HG12  VAL  18          2HG1      VAL  18  -7.921   6.042   2.426
  125   HG13  VAL  18          3HG1      VAL  18  -6.802   4.685   2.445
  126   HG21  VAL  18          3HG2      VAL  18 -10.587   4.497   0.447
  127   HG22  VAL  18          1HG2      VAL  18 -10.097   5.905   1.415
  128   HG23  VAL  18          2HG2      VAL  18  -9.279   5.577  -0.117
  129    H    SER  19           H        SER  19  -5.910   3.419  -0.156
  130    HA   SER  19           HA       SER  19  -6.584   3.402  -3.032
  131    HB2  SER  19           1HB      SER  19  -7.052   5.678  -2.555
  132    HB3  SER  19           2HB      SER  19  -5.614   5.853  -1.547
  133    HG   SER  19           HG       SER  19  -5.495   6.708  -3.762
  134    H    SER  20           H        SER  20  -4.772   3.221  -4.400
  135    HA   SER  20           HA       SER  20  -2.552   1.679  -3.487
  136    HB2  SER  20           1HB      SER  20  -1.631   2.127  -5.746
  137    HB3  SER  20           2HB      SER  20  -3.311   1.567  -5.780
  138    HG   SER  20           HG       SER  20  -2.999   3.358  -7.172
  139    H    ILE  21           H        ILE  21  -2.994   5.192  -3.806
  140    HA   ILE  21           HA       ILE  21  -0.223   5.934  -3.515
  141    HB   ILE  21           HB       ILE  21  -2.773   7.432  -2.788
  142   HG12  ILE  21          1HG1      ILE  21  -2.793   6.919  -5.149
  143   HG13  ILE  21          2HG1      ILE  21  -2.485   8.626  -4.913
  144   HG21  ILE  21          1HG2      ILE  21   0.098   8.406  -2.999
  145   HG22  ILE  21          2HG2      ILE  21  -1.321   9.485  -3.005
  146   HG23  ILE  21          3HG2      ILE  21  -0.987   8.481  -1.594
  147   HD11  ILE  21          3HD1      ILE  21  -1.104   7.771  -6.720
  148   HD12  ILE  21          1HD1      ILE  21  -0.050   8.239  -5.376
  149   HD13  ILE  21          2HD1      ILE  21  -0.413   6.520  -5.679
  150    H    ARG  22           H        ARG  22  -2.790   5.395  -1.110
  151    HA   ARG  22           HA       ARG  22  -1.222   6.136   1.221
  152    HB2  ARG  22           1HB      ARG  22  -3.570   4.199   1.081
  153    HB3  ARG  22           2HB      ARG  22  -2.993   5.052   2.504
  154    HG2  ARG  22           1HG      ARG  22  -4.310   6.316   0.063
  155    HG3  ARG  22           2HG      ARG  22  -5.053   5.999   1.632
  156    HD2  ARG  22           1HD      ARG  22  -3.547   7.602   2.703
  157    HD3  ARG  22           2HD      ARG  22  -2.789   7.921   1.136
  158    HE   ARG  22           HE       ARG  22  -4.628   9.159   0.445
  159   HH11  ARG  22          2HH1      ARG  22  -5.437   7.741   3.551
  160   HH12  ARG  22          1HH1      ARG  22  -6.862   8.729   3.723
  161   HH21  ARG  22          2HH2      ARG  22  -6.455  10.373   0.735
  162   HH22  ARG  22          1HH2      ARG  22  -7.417  10.173   2.169
  163    H    LEU  23           H        LEU  23  -1.804   3.079  -0.475
  164    HA   LEU  23           HA       LEU  23  -0.281   1.390   1.269
  165    HB2  LEU  23           1HB      LEU  23  -1.886   0.403  -0.175
  166    HB3  LEU  23           2HB      LEU  23  -1.255   1.230  -1.595
  167    HG   LEU  23           HG       LEU  23   0.766  -0.118  -1.577
  168   HD11  LEU  23          1HD1      LEU  23  -0.445  -1.739   0.697
  169   HD12  LEU  23          2HD1      LEU  23   0.860  -0.570   0.935
  170   HD13  LEU  23          3HD1      LEU  23   1.137  -1.947  -0.108
  171   HD21  LEU  23          3HD2      LEU  23  -0.245  -2.275  -2.174
  172   HD22  LEU  23          1HD2      LEU  23  -1.191  -0.921  -2.816
  173   HD23  LEU  23          2HD2      LEU  23  -1.757  -1.798  -1.374
  174    H    ARG  24           H        ARG  24   0.630   3.109  -1.797
  175    HA   ARG  24           HA       ARG  24   3.307   2.154  -1.907
  176    HB2  ARG  24           1HB      ARG  24   1.964   4.688  -2.901
  177    HB3  ARG  24           2HB      ARG  24   3.682   4.389  -3.186
  178    HG2  ARG  24           1HG      ARG  24   3.277   2.446  -4.500
  179    HG3  ARG  24           2HG      ARG  24   1.584   2.342  -4.001
  180    HD2  ARG  24           1HD      ARG  24   1.120   4.510  -5.123
  181    HD3  ARG  24           2HD      ARG  24   2.810   4.574  -5.671
  182    HE   ARG  24           HE       ARG  24   1.698   2.092  -6.501
  183   HH11  ARG  24          2HH1      ARG  24   1.333   5.479  -7.318
  184   HH12  ARG  24          1HH1      ARG  24   0.774   5.125  -8.929
  185   HH21  ARG  24          2HH2      ARG  24   0.995   1.712  -8.578
  186   HH22  ARG  24          1HH2      ARG  24   0.597   3.046  -9.619
  187    H    SER  25           H        SER  25   2.110   5.185  -0.449
  188    HA   SER  25           HA       SER  25   4.624   5.982   0.652
  189    HB2  SER  25           1HB      SER  25   2.610   7.440   0.318
  190    HB3  SER  25           2HB      SER  25   1.815   6.616   1.673
  191    HG   SER  25           HG       SER  25   2.884   8.586   2.281
  192    H    HIS  26           H        HIS  26   2.048   3.899   2.076
  193    HA   HIS  26           HA       HIS  26   3.198   3.556   4.659
  194    HB2  HIS  26           1HB      HIS  26   1.082   2.635   4.455
  195    HB3  HIS  26           2HB      HIS  26   1.399   1.899   2.902
  196    HD1  HIS  26           1HD      HIS  26   1.872   1.175   6.612
  197    HD2  HIS  26           2HD      HIS  26   2.630  -0.520   2.835
  198    HE1  HIS  26           1HE      HIS  26   2.451  -1.258   7.046
  199    H    ILE  27           H        ILE  27   3.951   1.781   1.589
  200    HA   ILE  27           HA       ILE  27   5.835   0.024   2.838
  201    HB   ILE  27           HB       ILE  27   5.849   0.985  -0.044
  202   HG12  ILE  27          1HG1      ILE  27   4.638  -1.607   1.030
  203   HG13  ILE  27          2HG1      ILE  27   3.685  -0.172   0.731
  204   HG21  ILE  27          1HG2      ILE  27   7.038  -1.535   1.190
  205   HG22  ILE  27          2HG2      ILE  27   7.167  -1.020  -0.502
  206   HG23  ILE  27          3HG2      ILE  27   7.979  -0.086   0.743
  207   HD11  ILE  27          3HD1      ILE  27   4.465  -0.161  -1.654
  208   HD12  ILE  27          1HD1      ILE  27   5.220  -1.744  -1.354
  209   HD13  ILE  27          2HD1      ILE  27   3.466  -1.560  -1.194
  210    H    ARG  28           H        ARG  28   6.285   3.279   1.403
  211    HA   ARG  28           HA       ARG  28   9.158   3.285   1.734
  212    HB2  ARG  28           1HB      ARG  28   7.399   5.752   1.782
  213    HB3  ARG  28           2HB      ARG  28   9.087   5.615   1.303
  214    HG2  ARG  28           1HG      ARG  28   6.629   4.721  -0.215
  215    HG3  ARG  28           2HG      ARG  28   7.817   5.935  -0.686
  216    HD2  ARG  28           1HD      ARG  28   9.500   4.051  -0.813
  217    HD3  ARG  28           2HD      ARG  28   8.142   2.916  -0.574
  218    HE   ARG  28           HE       ARG  28   7.311   4.441  -2.705
  219   HH11  ARG  28          2HH1      ARG  28  10.264   2.589  -2.174
  220   HH12  ARG  28          1HH1      ARG  28  10.351   2.187  -3.904
  221   HH21  ARG  28          2HH2      ARG  28   7.664   3.861  -4.919
  222   HH22  ARG  28          1HH2      ARG  28   9.072   2.857  -5.266
  223    H    GLU  29           H        GLU  29   6.545   4.439   3.854
  224    HA   GLU  29           HA       GLU  29   8.362   5.526   5.847
  225    HB2  GLU  29           1HB      GLU  29   5.375   4.953   5.838
  226    HB3  GLU  29           2HB      GLU  29   6.206   5.722   7.185
  227    HG2  GLU  29           1HG      GLU  29   6.172   6.848   4.350
  228    HG3  GLU  29           2HG      GLU  29   5.055   7.308   5.628
  229    H    VAL  30           H        VAL  30   6.618   2.432   5.582
  230    HA   VAL  30           HA       VAL  30   7.502   1.684   8.322
  231    HB   VAL  30           HB       VAL  30   5.371   0.404   6.570
  232   HG11  VAL  30          1HG1      VAL  30   5.987   0.101   9.537
  233   HG12  VAL  30          2HG1      VAL  30   4.554  -0.554   8.714
  234   HG13  VAL  30          3HG1      VAL  30   6.154  -1.152   8.286
  235   HG21  VAL  30          3HG2      VAL  30   5.130   2.452   8.823
  236   HG22  VAL  30          1HG2      VAL  30   4.689   2.698   7.120
  237   HG23  VAL  30          2HG2      VAL  30   3.765   1.568   8.110
  238    H    HIS  31           H        HIS  31   7.861   0.590   4.974
  239    HA   HIS  31           HA       HIS  31   9.519  -1.709   5.957
  240    HB2  HIS  31           1HB      HIS  31   8.182  -1.367   3.267
  241    HB3  HIS  31           2HB      HIS  31   9.063  -2.774   3.844
  242    HD1  HIS  31           1HD      HIS  31   7.773  -3.489   6.531
  243    HD2  HIS  31           2HD      HIS  31   5.689  -2.061   3.181
  244    HE1  HIS  31           1HE      HIS  31   5.383  -4.297   6.802
  245    H    GLY  32           H        GLY  32   9.760   1.335   4.335
  246    HA2  GLY  32           1HA      GLY  32  11.603   2.516   3.714
  247    HA3  GLY  32           2HA      GLY  32  12.605   1.283   4.489
  248    H    ALA  33           H        ALA  33  10.517   0.453   1.750
  249    HA   ALA  33           HA       ALA  33  12.689  -0.473   0.128
  250    HB1  ALA  33           1HB      ALA  33  10.939  -0.906  -1.522
  251    HB2  ALA  33           2HB      ALA  33  10.383  -1.425   0.082
  252    HB3  ALA  33           3HB      ALA  33   9.793   0.103  -0.621
  253    H    ALA  34           H        ALA  34  13.962   0.679  -1.047
  254    HA   ALA  34           HA       ALA  34  13.419   3.518  -1.643
  255    HB1  ALA  34           1HB      ALA  34  16.018   1.940  -1.721
  256    HB2  ALA  34           2HB      ALA  34  15.850   3.707  -1.814
  257    HB3  ALA  34           3HB      ALA  34  15.402   2.858  -0.325
  258    H    GLN  35           H        GLN  35  12.734   0.970  -3.432
  259    HA   GLN  35           HA       GLN  35  13.930   1.828  -6.012
  260    HB2  GLN  35           1HB      GLN  35  12.356  -0.657  -5.240
  261    HB3  GLN  35           2HB      GLN  35  12.960  -0.297  -6.864
  262    HG2  GLN  35           1HG      GLN  35  15.289  -0.195  -5.972
  263    HG3  GLN  35           2HG      GLN  35  14.692  -0.641  -4.375
  264   HE21  GLN  35          1HE2      GLN  35  16.588  -2.294  -5.206
  265   HE22  GLN  35          2HE2      GLN  35  15.914  -3.797  -5.828
  Start of MODEL    7
    1    H1   GLY   1           1H       GLY   1 -19.882 -11.617   6.282
    2    H2   GLY   1           2H       GLY   1 -20.762 -11.343   4.926
    3    H3   GLY   1           3H       GLY   1 -19.609 -10.273   5.388
    4    HA2  GLY   1           1HA      GLY   1 -19.110 -13.042   4.509
    5    HA3  GLY   1           2HA      GLY   1 -18.833 -11.592   3.526
    6    H    SER   2           H        SER   2 -16.884 -13.619   4.312
    7    HA   SER   2           HA       SER   2 -15.174 -12.522   6.401
    8    HB2  SER   2           1HB      SER   2 -13.682 -14.392   5.744
    9    HB3  SER   2           2HB      SER   2 -15.338 -14.904   6.106
   10    HG   SER   2           HG       SER   2 -14.528 -15.863   4.173
   11    H    SER   3           H        SER   3 -15.476 -11.852   3.049
   12    HA   SER   3           HA       SER   3 -13.124 -10.074   3.092
   13    HB2  SER   3           1HB      SER   3 -12.380 -12.326   2.189
   14    HB3  SER   3           2HB      SER   3 -13.508 -12.086   0.841
   15    HG   SER   3           HG       SER   3 -11.340 -11.369   0.394
   16    H    GLY   4           H        GLY   4 -13.105  -8.768   0.950
   17    HA2  GLY   4           1HA      GLY   4 -15.669  -8.357  -0.378
   18    HA3  GLY   4           2HA      GLY   4 -15.278  -7.070   0.759
   19    H    SER   5           H        SER   5 -15.615  -6.970  -2.106
   20    HA   SER   5           HA       SER   5 -13.168  -6.800  -3.550
   21    HB2  SER   5           1HB      SER   5 -15.855  -5.497  -4.136
   22    HB3  SER   5           2HB      SER   5 -14.550  -5.785  -5.302
   23    HG   SER   5           HG       SER   5 -16.159  -7.424  -5.385
   24    H    SER   6           H        SER   6 -12.499  -4.855  -4.779
   25    HA   SER   6           HA       SER   6 -11.465  -2.869  -4.935
   26    HB2  SER   6           1HB      SER   6 -13.635  -1.765  -3.130
   27    HB3  SER   6           2HB      SER   6 -12.571  -0.837  -4.190
   28    HG   SER   6           HG       SER   6 -13.502  -1.865  -5.985
   29    H    GLY   7           H        GLY   7 -10.394  -0.984  -3.748
   30    HA2  GLY   7           1HA      GLY   7  -8.867  -0.258  -2.138
   31    HA3  GLY   7           2HA      GLY   7  -9.320  -1.580  -1.072
   32    H    TYR   8           H        TYR   8  -6.811  -1.182  -1.014
   33    HA   TYR   8           HA       TYR   8  -5.392  -3.047  -2.891
   34    HB2  TYR   8           1HB      TYR   8  -4.404  -0.359  -1.858
   35    HB3  TYR   8           2HB      TYR   8  -3.550  -1.447  -2.944
   36    HD1  TYR   8           2HD      TYR   8  -6.467   0.848  -2.647
   37    HD2  TYR   8           1HD      TYR   8  -4.012  -1.485  -5.320
   38    HE1  TYR   8           2HE      TYR   8  -7.552   1.946  -4.601
   39    HE2  TYR   8           1HE      TYR   8  -5.073  -0.361  -7.270
   40    HH   TYR   8           HH       TYR   8  -6.627   1.170  -7.977
   41    H    VAL   9           H        VAL   9  -3.580  -4.202  -1.988
   42    HA   VAL   9           HA       VAL   9  -3.363  -4.067   0.988
   43    HB   VAL   9           HB       VAL   9  -3.446  -6.625  -0.638
   44   HG11  VAL   9          1HG1      VAL   9  -3.363  -6.077   2.367
   45   HG12  VAL   9          2HG1      VAL   9  -3.643  -7.672   1.636
   46   HG13  VAL   9          3HG1      VAL   9  -2.100  -6.855   1.396
   47   HG21  VAL   9          3HG2      VAL   9  -5.606  -7.064   0.474
   48   HG22  VAL   9          1HG2      VAL   9  -5.553  -5.458   1.227
   49   HG23  VAL   9          2HG2      VAL   9  -5.713  -5.625  -0.539
   50    H    CYS  10           H        CYS  10  -1.435  -4.266   1.895
   51    HA   CYS  10           HA       CYS  10   0.992  -3.910   0.426
   52    HB2  CYS  10           1HB      CYS  10   0.458  -3.070   2.691
   53    HB3  CYS  10           2HB      CYS  10   0.448  -4.733   3.301
   54    H    ALA  11           H        ALA  11   2.158  -5.338  -0.649
   55    HA   ALA  11           HA       ALA  11   1.709  -8.192  -0.475
   56    HB1  ALA  11           1HB      ALA  11   3.503  -8.298  -2.162
   57    HB2  ALA  11           2HB      ALA  11   2.313  -7.050  -2.570
   58    HB3  ALA  11           3HB      ALA  11   3.887  -6.587  -1.885
   59    H    LEU  12           H        LEU  12   3.404  -6.167   1.597
   60    HA   LEU  12           HA       LEU  12   5.539  -8.131   2.270
   61    HB2  LEU  12           1HB      LEU  12   5.195  -5.228   3.112
   62    HB3  LEU  12           2HB      LEU  12   6.525  -6.294   3.504
   63    HG   LEU  12           HG       LEU  12   7.026  -6.443   1.011
   64   HD11  LEU  12          1HD1      LEU  12   6.342  -4.382  -0.315
   65   HD12  LEU  12          2HD1      LEU  12   5.086  -4.084   0.903
   66   HD13  LEU  12          3HD1      LEU  12   5.054  -5.550  -0.100
   67   HD21  LEU  12          3HD2      LEU  12   7.112  -3.714   2.306
   68   HD22  LEU  12          1HD2      LEU  12   8.233  -4.313   1.064
   69   HD23  LEU  12          2HD2      LEU  12   8.236  -5.037   2.685
   70    H    CYS  13           H        CYS  13   3.142  -6.077   3.893
   71    HA   CYS  13           HA       CYS  13   3.093  -7.990   6.190
   72    HB2  CYS  13           1HB      CYS  13   2.609  -6.294   7.703
   73    HB3  CYS  13           2HB      CYS  13   4.030  -5.866   6.769
   74    H    LEU  14           H        LEU  14   1.115  -7.376   3.638
   75    HA   LEU  14           HA       LEU  14  -0.999  -7.852   3.111
   76    HB2  LEU  14           1HB      LEU  14  -0.694  -9.742   5.444
   77    HB3  LEU  14           2HB      LEU  14  -2.106  -9.728   4.421
   78    HG   LEU  14           HG       LEU  14  -0.639 -11.496   3.791
   79   HD11  LEU  14          1HD1      LEU  14  -2.021 -10.396   2.045
   80   HD12  LEU  14          2HD1      LEU  14  -0.556 -11.163   1.407
   81   HD13  LEU  14          3HD1      LEU  14  -0.619  -9.402   1.587
   82   HD21  LEU  14          3HD2      LEU  14   1.464  -9.504   2.886
   83   HD22  LEU  14          1HD2      LEU  14   1.526 -11.271   2.822
   84   HD23  LEU  14          2HD2      LEU  14   1.558 -10.452   4.392
   85    H    LYS  15           H        LYS  15  -0.616  -5.578   4.970
   86    HA   LYS  15           HA       LYS  15  -3.233  -5.153   6.223
   87    HB2  LYS  15           1HB      LYS  15  -1.094  -4.167   7.033
   88    HB3  LYS  15           2HB      LYS  15  -0.973  -3.275   5.499
   89    HG2  LYS  15           1HG      LYS  15  -2.928  -1.943   6.041
   90    HG3  LYS  15           2HG      LYS  15  -3.334  -2.986   7.416
   91    HD2  LYS  15           1HD      LYS  15  -1.344  -2.245   8.628
   92    HD3  LYS  15           2HD      LYS  15  -0.819  -1.267   7.240
   93    HE2  LYS  15           1HE      LYS  15  -2.869   0.104   7.402
   94    HE3  LYS  15           2HE      LYS  15  -3.462  -0.902   8.727
   95    HZ1  LYS  15           3HZ      LYS  15  -2.430   1.121   9.568
   96    HZ2  LYS  15           1HZ      LYS  15  -1.009   0.774   8.844
   97    HZ3  LYS  15           2HZ      LYS  15  -1.562  -0.167  10.063
   98    H    LYS  16           H        LYS  16  -4.962  -4.024   5.418
   99    HA   LYS  16           HA       LYS  16  -4.971  -3.403   2.521
  100    HB2  LYS  16           1HB      LYS  16  -6.616  -5.002   3.490
  101    HB3  LYS  16           2HB      LYS  16  -7.348  -3.667   4.395
  102    HG2  LYS  16           1HG      LYS  16  -7.983  -2.540   2.332
  103    HG3  LYS  16           2HG      LYS  16  -7.009  -3.656   1.364
  104    HD2  LYS  16           1HD      LYS  16  -8.518  -5.532   2.092
  105    HD3  LYS  16           2HD      LYS  16  -9.548  -4.320   2.901
  106    HE2  LYS  16           1HE      LYS  16  -9.759  -3.109   0.717
  107    HE3  LYS  16           2HE      LYS  16  -8.770  -4.353  -0.055
  108    HZ1  LYS  16           3HZ      LYS  16 -11.431  -4.822   1.187
  109    HZ2  LYS  16           1HZ      LYS  16 -10.521  -5.970   0.451
  110    HZ3  LYS  16           2HZ      LYS  16 -11.116  -4.721  -0.417
  111    H    PHE  17           H        PHE  17  -5.729  -1.572   1.625
  112    HA   PHE  17           HA       PHE  17  -5.897   0.927   3.243
  113    HB2  PHE  17           1HB      PHE  17  -4.139   0.364   0.818
  114    HB3  PHE  17           2HB      PHE  17  -4.411   1.963   1.491
  115    HD1  PHE  17           2HD      PHE  17  -3.511   2.617   3.690
  116    HD2  PHE  17           1HD      PHE  17  -2.705  -1.265   1.988
  117    HE1  PHE  17           2HE      PHE  17  -1.716   2.254   5.367
  118    HE2  PHE  17           1HE      PHE  17  -0.920  -1.625   3.673
  119    HZ   PHE  17           HZ       PHE  17  -0.447   0.118   5.374
  120    H    VAL  18           H        VAL  18  -6.888   2.667   2.282
  121    HA   VAL  18           HA       VAL  18  -9.161   2.164   0.609
  122    HB   VAL  18           HB       VAL  18  -9.073   3.790   2.445
  123   HG11  VAL  18          1HG1      VAL  18  -6.793   4.741   2.099
  124   HG12  VAL  18          2HG1      VAL  18  -7.378   5.571   0.639
  125   HG13  VAL  18          3HG1      VAL  18  -8.041   5.980   2.228
  126   HG21  VAL  18          3HG2      VAL  18  -9.720   5.201  -0.165
  127   HG22  VAL  18          1HG2      VAL  18 -10.783   4.037   0.664
  128   HG23  VAL  18          2HG2      VAL  18 -10.349   5.567   1.450
  129    H    SER  19           H        SER  19  -5.922   3.247  -0.164
  130    HA   SER  19           HA       SER  19  -6.546   3.477  -3.050
  131    HB2  SER  19           1HB      SER  19  -6.989   5.709  -2.312
  132    HB3  SER  19           2HB      SER  19  -5.539   5.732  -1.301
  133    HG   SER  19           HG       SER  19  -5.493   6.796  -3.487
  134    H    SER  20           H        SER  20  -4.726   3.351  -4.393
  135    HA   SER  20           HA       SER  20  -2.499   1.789  -3.503
  136    HB2  SER  20           1HB      SER  20  -1.588   2.282  -5.760
  137    HB3  SER  20           2HB      SER  20  -3.249   1.671  -5.784
  138    HG   SER  20           HG       SER  20  -3.027   3.466  -7.171
  139    H    ILE  21           H        ILE  21  -2.982   5.311  -3.766
  140    HA   ILE  21           HA       ILE  21  -0.207   6.054  -3.454
  141    HB   ILE  21           HB       ILE  21  -2.836   7.492  -3.002
  142   HG12  ILE  21          1HG1      ILE  21  -1.991   8.983  -4.780
  143   HG13  ILE  21          2HG1      ILE  21  -0.494   8.063  -4.880
  144   HG21  ILE  21          1HG2      ILE  21  -0.058   8.594  -2.409
  145   HG22  ILE  21          2HG2      ILE  21  -1.525   9.586  -2.577
  146   HG23  ILE  21          3HG2      ILE  21  -1.404   8.426  -1.259
  147   HD11  ILE  21          3HD1      ILE  21  -3.249   6.921  -5.517
  148   HD12  ILE  21          1HD1      ILE  21  -2.138   7.613  -6.716
  149   HD13  ILE  21          2HD1      ILE  21  -1.667   6.157  -5.833
  150    H    ARG  22           H        ARG  22  -2.817   5.547  -1.065
  151    HA   ARG  22           HA       ARG  22  -1.211   6.179   1.266
  152    HB2  ARG  22           1HB      ARG  22  -3.862   4.758   0.806
  153    HB3  ARG  22           2HB      ARG  22  -3.080   4.710   2.380
  154    HG2  ARG  22           1HG      ARG  22  -4.693   6.485   2.365
  155    HG3  ARG  22           2HG      ARG  22  -3.056   7.144   2.531
  156    HD2  ARG  22           1HD      ARG  22  -3.074   7.850   0.187
  157    HD3  ARG  22           2HD      ARG  22  -4.693   7.148  -0.023
  158    HE   ARG  22           HE       ARG  22  -4.780   8.961   2.159
  159   HH11  ARG  22          2HH2      ARG  22  -4.429   9.158  -1.325
  160   HH12  ARG  22          1HH2      ARG  22  -5.096  10.765  -1.387
  161   HH21  ARG  22          2HH1      ARG  22  -5.622  11.006   2.000
  162   HH22  ARG  22          1HH1      ARG  22  -5.752  11.777   0.447
  163    H    LEU  23           H        LEU  23  -1.809   3.144  -0.487
  164    HA   LEU  23           HA       LEU  23  -0.281   1.482   1.291
  165    HB2  LEU  23           1HB      LEU  23  -1.891   0.484  -0.159
  166    HB3  LEU  23           2HB      LEU  23  -1.213   1.262  -1.587
  167    HG   LEU  23           HG       LEU  23   0.802  -0.088  -1.449
  168   HD11  LEU  23          1HD1      LEU  23  -0.505  -1.636   0.824
  169   HD12  LEU  23          2HD1      LEU  23   0.803  -0.471   1.075
  170   HD13  LEU  23          3HD1      LEU  23   1.102  -1.885   0.092
  171   HD21  LEU  23          3HD2      LEU  23  -0.186  -2.264  -2.022
  172   HD22  LEU  23          1HD2      LEU  23  -1.103  -0.928  -2.740
  173   HD23  LEU  23          2HD2      LEU  23  -1.729  -1.760  -1.296
  174    H    ARG  24           H        ARG  24   0.631   3.220  -1.762
  175    HA   ARG  24           HA       ARG  24   3.286   2.231  -1.952
  176    HB2  ARG  24           1HB      ARG  24   1.978   4.845  -2.789
  177    HB3  ARG  24           2HB      ARG  24   3.679   4.538  -3.125
  178    HG2  ARG  24           1HG      ARG  24   3.240   2.700  -4.558
  179    HG3  ARG  24           2HG      ARG  24   1.580   2.521  -3.997
  180    HD2  ARG  24           1HD      ARG  24   1.034   4.760  -4.979
  181    HD3  ARG  24           2HD      ARG  24   2.684   4.842  -5.635
  182    HE   ARG  24           HE       ARG  24   1.602   2.400  -6.513
  183   HH11  ARG  24          2HH1      ARG  24   0.865   5.784  -7.043
  184   HH12  ARG  24          1HH1      ARG  24   0.105   5.471  -8.579
  185   HH21  ARG  24          2HH2      ARG  24   0.640   2.077  -8.493
  186   HH22  ARG  24          1HH2      ARG  24  -0.004   3.429  -9.376
  187    H    SER  25           H        SER  25   2.173   5.226  -0.389
  188    HA   SER  25           HA       SER  25   4.710   5.954   0.706
  189    HB2  SER  25           1HB      SER  25   1.837   6.686   1.328
  190    HB3  SER  25           2HB      SER  25   3.217   7.421   2.194
  191    HG   SER  25           HG       SER  25   2.569   8.653   0.355
  192    H    HIS  26           H        HIS  26   2.055   3.953   2.136
  193    HA   HIS  26           HA       HIS  26   3.197   3.565   4.709
  194    HB2  HIS  26           1HB      HIS  26   1.065   2.664   4.450
  195    HB3  HIS  26           2HB      HIS  26   1.431   1.895   2.923
  196    HD1  HIS  26           1HD      HIS  26   1.873   1.275   6.667
  197    HD2  HIS  26           2HD      HIS  26   2.619  -0.532   2.943
  198    HE1  HIS  26           1HE      HIS  26   2.431  -1.149   7.174
  199    H    ILE  27           H        ILE  27   3.882   1.788   1.628
  200    HA   ILE  27           HA       ILE  27   5.796   0.036   2.833
  201    HB   ILE  27           HB       ILE  27   5.663   0.961  -0.059
  202   HG12  ILE  27          1HG1      ILE  27   4.582  -1.641   1.122
  203   HG13  ILE  27          2HG1      ILE  27   3.577  -0.228   0.859
  204   HG21  ILE  27          1HG2      ILE  27   6.985  -1.056  -0.554
  205   HG22  ILE  27          2HG2      ILE  27   7.859  -0.031   0.572
  206   HG23  ILE  27          3HG2      ILE  27   7.006  -1.481   1.169
  207   HD11  ILE  27          3HD1      ILE  27   4.176  -0.250  -1.569
  208   HD12  ILE  27          1HD1      ILE  27   5.023  -1.794  -1.300
  209   HD13  ILE  27          2HD1      ILE  27   3.281  -1.683  -1.019
  210    H    ARG  28           H        ARG  28   6.222   3.294   1.403
  211    HA   ARG  28           HA       ARG  28   9.114   3.209   1.643
  212    HB2  ARG  28           1HB      ARG  28   7.410   5.715   1.617
  213    HB3  ARG  28           2HB      ARG  28   9.111   5.546   1.196
  214    HG2  ARG  28           1HG      ARG  28   6.683   4.767  -0.400
  215    HG3  ARG  28           2HG      ARG  28   8.029   5.797  -0.858
  216    HD2  ARG  28           1HD      ARG  28   9.476   3.692  -0.812
  217    HD3  ARG  28           2HD      ARG  28   7.987   2.760  -0.629
  218    HE   ARG  28           HE       ARG  28   8.924   4.218  -3.021
  219   HH11  ARG  28          2HH1      ARG  28   6.062   2.694  -1.674
  220   HH12  ARG  28          1HH1      ARG  28   5.596   2.046  -3.230
  221   HH21  ARG  28          2HH2      ARG  28   8.151   3.523  -4.968
  222   HH22  ARG  28          1HH2      ARG  28   6.660   2.637  -5.049
  223    H    GLU  29           H        GLU  29   6.600   4.436   3.871
  224    HA   GLU  29           HA       GLU  29   8.670   5.416   5.703
  225    HB2  GLU  29           1HB      GLU  29   6.987   6.412   6.930
  226    HB3  GLU  29           2HB      GLU  29   6.530   6.595   5.233
  227    HG2  GLU  29           1HG      GLU  29   4.962   4.611   5.590
  228    HG3  GLU  29           2HG      GLU  29   5.338   4.741   7.311
  229    H    VAL  30           H        VAL  30   6.617   2.556   5.600
  230    HA   VAL  30           HA       VAL  30   7.518   1.754   8.319
  231    HB   VAL  30           HB       VAL  30   5.423   0.411   6.574
  232   HG11  VAL  30          1HG1      VAL  30   6.277  -1.085   8.318
  233   HG12  VAL  30          2HG1      VAL  30   6.043   0.178   9.548
  234   HG13  VAL  30          3HG1      VAL  30   4.649  -0.555   8.726
  235   HG21  VAL  30          3HG2      VAL  30   3.799   1.532   8.184
  236   HG22  VAL  30          1HG2      VAL  30   5.151   2.543   8.741
  237   HG23  VAL  30          2HG2      VAL  30   4.594   2.624   7.055
  238    H    HIS  31           H        HIS  31   7.813   0.619   4.955
  239    HA   HIS  31           HA       HIS  31   9.483  -1.665   5.943
  240    HB2  HIS  31           1HB      HIS  31   8.054  -1.321   3.300
  241    HB3  HIS  31           2HB      HIS  31   8.975  -2.727   3.818
  242    HD1  HIS  31           1HD      HIS  31   7.817  -3.555   6.510
  243    HD2  HIS  31           2HD      HIS  31   5.564  -1.964   3.350
  244    HE1  HIS  31           1HE      HIS  31   5.440  -4.360   6.877
  245    H    GLY  32           H        GLY  32   9.749   1.354   4.314
  246    HA2  GLY  32           1HA      GLY  32  11.560   2.484   3.519
  247    HA3  GLY  32           2HA      GLY  32  12.575   1.309   4.365
  248    H    ALA  33           H        ALA  33  10.408   0.463   1.672
  249    HA   ALA  33           HA       ALA  33  12.432  -0.996   0.343
  250    HB1  ALA  33           1HB      ALA  33   9.770   0.012  -0.740
  251    HB2  ALA  33           2HB      ALA  33  10.711  -1.357  -1.364
  252    HB3  ALA  33           3HB      ALA  33   9.993  -1.454   0.255
  253    H    ALA  34           H        ALA  34  11.677   2.418  -0.036
  254    HA   ALA  34           HA       ALA  34  13.857   2.857  -1.817
  255    HB1  ALA  34           1HB      ALA  34  12.162   2.220  -3.511
  256    HB2  ALA  34           2HB      ALA  34  11.021   3.398  -2.826
  257    HB3  ALA  34           3HB      ALA  34  12.517   3.954  -3.606
  258    H    GLN  35           H        GLN  35  14.398   4.961  -1.837
  259    HA   GLN  35           HA       GLN  35  13.023   6.954  -0.074
  260    HB2  GLN  35           1HB      GLN  35  16.009   6.321  -0.206
  261    HB3  GLN  35           2HB      GLN  35  15.311   7.736   0.567
  262    HG2  GLN  35           1HG      GLN  35  15.692   6.244   2.331
  263    HG3  GLN  35           2HG      GLN  35  13.957   6.214   2.057
  264   HE21  GLN  35          1HE2      GLN  35  13.853   4.137   3.176
  265   HE22  GLN  35          2HE2      GLN  35  14.366   2.671   2.332
  Start of MODEL    8
    1    H1   GLY   1           1H       GLY   1 -22.508   0.311   4.259
    2    H2   GLY   1           2H       GLY   1 -21.165   0.743   5.093
    3    H3   GLY   1           3H       GLY   1 -21.364  -0.808   4.597
    4    HA2  GLY   1           1HA      GLY   1 -21.004   1.520   2.823
    5    HA3  GLY   1           2HA      GLY   1 -19.756   0.317   3.195
    6    H    SER   2           H        SER   2 -20.527   0.879   0.577
    7    HA   SER   2           HA       SER   2 -22.527  -0.889  -0.467
    8    HB2  SER   2           1HB      SER   2 -20.172   0.431  -1.861
    9    HB3  SER   2           2HB      SER   2 -21.572  -0.312  -2.658
   10    HG   SER   2           HG       SER   2 -21.811   1.966  -2.427
   11    H    SER   3           H        SER   3 -22.355  -2.772  -1.703
   12    HA   SER   3           HA       SER   3 -20.296  -4.673  -0.920
   13    HB2  SER   3           1HB      SER   3 -22.525  -4.945  -2.968
   14    HB3  SER   3           2HB      SER   3 -21.561  -6.264  -2.285
   15    HG   SER   3           HG       SER   3 -22.445  -5.798  -0.241
   16    H    GLY   4           H        GLY   4 -18.699  -5.614  -2.154
   17    HA2  GLY   4           1HA      GLY   4 -17.292  -6.069  -3.903
   18    HA3  GLY   4           2HA      GLY   4 -18.484  -5.375  -4.999
   19    H    SER   5           H        SER   5 -17.430  -3.094  -2.633
   20    HA   SER   5           HA       SER   5 -16.216  -1.373  -4.550
   21    HB2  SER   5           1HB      SER   5 -16.074  -1.315  -1.513
   22    HB3  SER   5           2HB      SER   5 -15.594   0.013  -2.584
   23    HG   SER   5           HG       SER   5 -17.725   0.142  -3.338
   24    H    SER   6           H        SER   6 -14.107  -0.611  -4.794
   25    HA   SER   6           HA       SER   6 -12.081  -2.695  -4.723
   26    HB2  SER   6           1HB      SER   6 -11.972   0.193  -5.669
   27    HB3  SER   6           2HB      SER   6 -10.664  -0.986  -5.859
   28    HG   SER   6           HG       SER   6 -13.305  -1.199  -6.930
   29    H    GLY   7           H        GLY   7  -9.935  -2.500  -3.946
   30    HA2  GLY   7           1HA      GLY   7  -9.013  -0.482  -2.134
   31    HA3  GLY   7           2HA      GLY   7  -9.520  -1.916  -1.236
   32    H    TYR   8           H        TYR   8  -6.935  -1.173  -1.062
   33    HA   TYR   8           HA       TYR   8  -5.355  -3.005  -2.844
   34    HB2  TYR   8           1HB      TYR   8  -4.584  -0.281  -1.725
   35    HB3  TYR   8           2HB      TYR   8  -3.547  -1.336  -2.673
   36    HD1  TYR   8           2HD      TYR   8  -6.646   0.737  -2.794
   37    HD2  TYR   8           1HD      TYR   8  -3.693  -1.427  -5.079
   38    HE1  TYR   8           2HE      TYR   8  -7.581   1.686  -4.887
   39    HE2  TYR   8           1HE      TYR   8  -4.613  -0.446  -7.180
   40    HH   TYR   8           HH       TYR   8  -7.410   1.797  -7.178
   41    H    VAL   9           H        VAL   9  -3.586  -4.141  -1.884
   42    HA   VAL   9           HA       VAL   9  -3.398  -4.009   1.083
   43    HB   VAL   9           HB       VAL   9  -3.566  -6.601  -0.491
   44   HG11  VAL   9          1HG1      VAL   9  -3.759  -7.591   1.807
   45   HG12  VAL   9          2HG1      VAL   9  -2.203  -6.807   1.530
   46   HG13  VAL   9          3HG1      VAL   9  -3.439  -5.984   2.498
   47   HG21  VAL   9          3HG2      VAL   9  -5.813  -5.555  -0.389
   48   HG22  VAL   9          1HG2      VAL   9  -5.719  -6.974   0.656
   49   HG23  VAL   9          2HG2      VAL   9  -5.629  -5.352   1.370
   50    H    CYS  10           H        CYS  10  -1.455  -4.251   1.951
   51    HA   CYS  10           HA       CYS  10   0.930  -3.900   0.449
   52    HB2  CYS  10           1HB      CYS  10   0.440  -3.141   2.763
   53    HB3  CYS  10           2HB      CYS  10   0.480  -4.828   3.307
   54    H    ALA  11           H        ALA  11   2.129  -5.266  -0.644
   55    HA   ALA  11           HA       ALA  11   1.709  -8.131  -0.611
   56    HB1  ALA  11           1HB      ALA  11   2.322  -6.878  -2.642
   57    HB2  ALA  11           2HB      ALA  11   3.880  -6.429  -1.915
   58    HB3  ALA  11           3HB      ALA  11   3.523  -8.131  -2.282
   59    H    LEU  12           H        LEU  12   3.370  -6.172   1.561
   60    HA   LEU  12           HA       LEU  12   5.496  -8.171   2.175
   61    HB2  LEU  12           1HB      LEU  12   5.237  -5.279   3.074
   62    HB3  LEU  12           2HB      LEU  12   6.557  -6.382   3.385
   63    HG   LEU  12           HG       LEU  12   6.904  -6.465   0.821
   64   HD11  LEU  12          1HD1      LEU  12   4.891  -5.337  -0.047
   65   HD12  LEU  12          2HD1      LEU  12   6.281  -4.310  -0.342
   66   HD13  LEU  12          3HD1      LEU  12   5.185  -3.938   1.000
   67   HD21  LEU  12          3HD2      LEU  12   8.240  -4.401   0.940
   68   HD22  LEU  12          1HD2      LEU  12   8.325  -5.280   2.481
   69   HD23  LEU  12          2HD2      LEU  12   7.260  -3.870   2.325
   70    H    CYS  13           H        CYS  13   3.181  -6.066   3.865
   71    HA   CYS  13           HA       CYS  13   3.134  -7.998   6.141
   72    HB2  CYS  13           1HB      CYS  13   2.682  -6.302   7.669
   73    HB3  CYS  13           2HB      CYS  13   4.100  -5.891   6.722
   74    H    LEU  14           H        LEU  14   1.137  -7.375   3.617
   75    HA   LEU  14           HA       LEU  14  -1.000  -7.803   3.120
   76    HB2  LEU  14           1HB      LEU  14  -0.655  -9.723   5.421
   77    HB3  LEU  14           2HB      LEU  14  -2.105  -9.678   4.452
   78    HG   LEU  14           HG       LEU  14  -0.668 -11.458   3.754
   79   HD11  LEU  14          1HD1      LEU  14  -0.701 -11.109   1.369
   80   HD12  LEU  14          2HD1      LEU  14  -0.758  -9.349   1.565
   81   HD13  LEU  14          3HD1      LEU  14  -2.133 -10.349   2.085
   82   HD21  LEU  14          3HD2      LEU  14   1.555 -10.418   4.253
   83   HD22  LEU  14          1HD2      LEU  14   1.389  -9.458   2.761
   84   HD23  LEU  14          2HD2      LEU  14   1.448 -11.224   2.678
   85    H    LYS  15           H        LYS  15  -0.563  -5.539   4.915
   86    HA   LYS  15           HA       LYS  15  -3.124  -5.098   6.283
   87    HB2  LYS  15           1HB      LYS  15  -0.914  -4.217   7.034
   88    HB3  LYS  15           2HB      LYS  15  -0.850  -3.247   5.545
   89    HG2  LYS  15           1HG      LYS  15  -2.741  -1.906   6.251
   90    HG3  LYS  15           2HG      LYS  15  -3.111  -2.999   7.588
   91    HD2  LYS  15           1HD      LYS  15  -0.563  -1.333   7.394
   92    HD3  LYS  15           2HD      LYS  15  -2.028  -0.848   8.265
   93    HE2  LYS  15           1HE      LYS  15  -1.852  -2.958   9.638
   94    HE3  LYS  15           2HE      LYS  15  -0.304  -3.299   8.853
   95    HZ1  LYS  15           3HZ      LYS  15   0.540  -1.198   9.774
   96    HZ2  LYS  15           1HZ      LYS  15   0.004  -2.163  10.974
   97    HZ3  LYS  15           2HZ      LYS  15  -0.895  -0.890  10.496
   98    H    LYS  16           H        LYS  16  -4.829  -3.859   5.577
   99    HA   LYS  16           HA       LYS  16  -4.970  -3.333   2.667
  100    HB2  LYS  16           1HB      LYS  16  -6.590  -4.837   3.814
  101    HB3  LYS  16           2HB      LYS  16  -7.232  -3.442   4.693
  102    HG2  LYS  16           1HG      LYS  16  -7.965  -2.401   2.599
  103    HG3  LYS  16           2HG      LYS  16  -7.121  -3.633   1.646
  104    HD2  LYS  16           1HD      LYS  16  -8.613  -5.377   2.688
  105    HD3  LYS  16           2HD      LYS  16  -9.526  -4.054   3.455
  106    HE2  LYS  16           1HE      LYS  16  -9.953  -3.088   1.187
  107    HE3  LYS  16           2HE      LYS  16  -9.058  -4.435   0.461
  108    HZ1  LYS  16           3HZ      LYS  16 -11.460  -4.845   0.433
  109    HZ2  LYS  16           1HZ      LYS  16 -11.557  -4.711   2.055
  110    HZ3  LYS  16           2HZ      LYS  16 -10.733  -5.954   1.384
  111    H    PHE  17           H        PHE  17  -5.740  -1.532   1.729
  112    HA   PHE  17           HA       PHE  17  -5.824   1.045   3.220
  113    HB2  PHE  17           1HB      PHE  17  -4.047   0.352   0.845
  114    HB3  PHE  17           2HB      PHE  17  -4.303   1.983   1.445
  115    HD1  PHE  17           2HD      PHE  17  -3.489   2.678   3.690
  116    HD2  PHE  17           1HD      PHE  17  -2.585  -1.210   2.051
  117    HE1  PHE  17           2HE      PHE  17  -1.753   2.343   5.433
  118    HE2  PHE  17           1HE      PHE  17  -0.850  -1.535   3.790
  119    HZ   PHE  17           HZ       PHE  17  -0.465   0.221   5.507
  120    H    VAL  18           H        VAL  18  -6.800   2.758   2.144
  121    HA   VAL  18           HA       VAL  18  -9.096   2.103   0.570
  122    HB   VAL  18           HB       VAL  18  -9.060   3.855   2.244
  123   HG11  VAL  18          1HG1      VAL  18  -8.062   6.038   1.914
  124   HG12  VAL  18          2HG1      VAL  18  -6.788   4.817   1.877
  125   HG13  VAL  18          3HG1      VAL  18  -7.369   5.550   0.362
  126   HG21  VAL  18          3HG2      VAL  18  -9.672   5.051  -0.480
  127   HG22  VAL  18          1HG2      VAL  18 -10.740   3.952   0.427
  128   HG23  VAL  18          2HG2      VAL  18 -10.335   5.547   1.088
  129    H    SER  19           H        SER  19  -5.970   3.498  -0.345
  130    HA   SER  19           HA       SER  19  -6.605   3.201  -3.231
  131    HB2  SER  19           1HB      SER  19  -5.514   5.776  -2.050
  132    HB3  SER  19           2HB      SER  19  -5.792   5.427  -3.760
  133    HG   SER  19           HG       SER  19  -7.508   6.642  -2.883
  134    H    SER  20           H        SER  20  -4.721   3.219  -4.600
  135    HA   SER  20           HA       SER  20  -2.510   1.755  -3.685
  136    HB2  SER  20           1HB      SER  20  -1.481   2.395  -5.864
  137    HB3  SER  20           2HB      SER  20  -3.145   1.807  -6.011
  138    HG   SER  20           HG       SER  20  -2.802   3.717  -7.244
  139    H    ILE  21           H        ILE  21  -2.784   5.304  -4.053
  140    HA   ILE  21           HA       ILE  21  -0.109   6.002  -3.451
  141    HB   ILE  21           HB       ILE  21  -2.709   7.465  -2.841
  142   HG12  ILE  21          1HG1      ILE  21  -2.476   7.080  -5.221
  143   HG13  ILE  21          2HG1      ILE  21  -2.252   8.778  -4.850
  144   HG21  ILE  21          1HG2      ILE  21  -1.068   8.462  -1.414
  145   HG22  ILE  21          2HG2      ILE  21   0.151   8.478  -2.706
  146   HG23  ILE  21          3HG2      ILE  21  -1.274   9.542  -2.796
  147   HD11  ILE  21          3HD1      ILE  21   0.228   8.492  -5.089
  148   HD12  ILE  21          1HD1      ILE  21  -0.041   6.788  -5.535
  149   HD13  ILE  21          2HD1      ILE  21  -0.671   8.085  -6.558
  150    H    ARG  22           H        ARG  22  -2.791   5.385  -1.169
  151    HA   ARG  22           HA       ARG  22  -1.251   6.135   1.200
  152    HB2  ARG  22           1HB      ARG  22  -3.883   4.646   0.800
  153    HB3  ARG  22           2HB      ARG  22  -3.123   4.822   2.375
  154    HG2  ARG  22           1HG      ARG  22  -4.741   6.533   2.221
  155    HG3  ARG  22           2HG      ARG  22  -3.149   7.300   2.134
  156    HD2  ARG  22           1HD      ARG  22  -3.414   7.612  -0.298
  157    HD3  ARG  22           2HD      ARG  22  -4.931   6.709  -0.250
  158    HE   ARG  22           HE       ARG  22  -6.045   8.544   0.594
  159   HH11  ARG  22          2HH1      ARG  22  -2.621   9.309   0.774
  160   HH12  ARG  22          1HH1      ARG  22  -2.933  10.986   1.122
  161   HH21  ARG  22          2HH2      ARG  22  -6.354  10.685   1.054
  162   HH22  ARG  22          1HH2      ARG  22  -4.987  11.735   1.283
  163    H    LEU  23           H        LEU  23  -1.789   3.090  -0.533
  164    HA   LEU  23           HA       LEU  23  -0.328   1.451   1.334
  165    HB2  LEU  23           1HB      LEU  23  -1.857   0.388  -0.143
  166    HB3  LEU  23           2HB      LEU  23  -1.169   1.166  -1.566
  167    HG   LEU  23           HG       LEU  23   0.882  -0.123  -1.361
  168   HD11  LEU  23          1HD1      LEU  23   0.817  -0.462   1.176
  169   HD12  LEU  23          2HD1      LEU  23   1.218  -1.869   0.223
  170   HD13  LEU  23          3HD1      LEU  23  -0.425  -1.689   0.898
  171   HD21  LEU  23          3HD2      LEU  23  -1.605  -1.865  -1.239
  172   HD22  LEU  23          1HD2      LEU  23  -0.032  -2.337  -1.918
  173   HD23  LEU  23          2HD2      LEU  23  -0.967  -1.040  -2.681
  174    H    ARG  24           H        ARG  24   0.676   3.140  -1.725
  175    HA   ARG  24           HA       ARG  24   3.373   2.222  -1.756
  176    HB2  ARG  24           1HB      ARG  24   2.087   4.818  -2.696
  177    HB3  ARG  24           2HB      ARG  24   3.801   4.475  -2.943
  178    HG2  ARG  24           1HG      ARG  24   3.302   2.461  -4.238
  179    HG3  ARG  24           2HG      ARG  24   1.579   2.642  -3.941
  180    HD2  ARG  24           1HD      ARG  24   1.943   3.523  -6.130
  181    HD3  ARG  24           2HD      ARG  24   1.657   4.890  -5.047
  182    HE   ARG  24           HE       ARG  24   3.757   5.694  -5.547
  183   HH11  ARG  24          2HH1      ARG  24   3.860   2.281  -6.447
  184   HH12  ARG  24          1HH1      ARG  24   5.520   2.434  -7.001
  185   HH21  ARG  24          1HH2      ARG  24   5.824   5.750  -6.414
  186   HH22  ARG  24          2HH2      ARG  24   6.512   4.268  -7.048
  187    H    SER  25           H        SER  25   2.159   5.282  -0.420
  188    HA   SER  25           HA       SER  25   4.544   6.102   0.857
  189    HB2  SER  25           1HB      SER  25   1.611   6.620   1.398
  190    HB3  SER  25           2HB      SER  25   2.906   7.422   2.334
  191    HG   SER  25           HG       SER  25   2.244   8.657   0.500
  192    H    HIS  26           H        HIS  26   2.003   3.885   2.191
  193    HA   HIS  26           HA       HIS  26   3.191   3.573   4.780
  194    HB2  HIS  26           1HB      HIS  26   1.073   2.647   4.621
  195    HB3  HIS  26           2HB      HIS  26   1.353   1.918   3.059
  196    HD1  HIS  26           1HD      HIS  26   1.934   1.186   6.756
  197    HD2  HIS  26           2HD      HIS  26   2.582  -0.497   2.955
  198    HE1  HIS  26           1HE      HIS  26   2.545  -1.245   7.165
  199    H    ILE  27           H        ILE  27   3.882   1.828   1.680
  200    HA   ILE  27           HA       ILE  27   5.791   0.057   2.868
  201    HB   ILE  27           HB       ILE  27   5.741   1.020  -0.011
  202   HG12  ILE  27          1HG1      ILE  27   4.534  -1.572   1.065
  203   HG13  ILE  27          2HG1      ILE  27   3.582  -0.128   0.813
  204   HG21  ILE  27          1HG2      ILE  27   7.870  -0.085   0.729
  205   HG22  ILE  27          2HG2      ILE  27   6.920  -1.522   1.181
  206   HG23  ILE  27          3HG2      ILE  27   7.023  -0.993  -0.510
  207   HD11  ILE  27          3HD1      ILE  27   3.310  -1.466  -1.140
  208   HD12  ILE  27          1HD1      ILE  27   4.330  -0.077  -1.591
  209   HD13  ILE  27          2HD1      ILE  27   5.055  -1.681  -1.331
  210    H    ARG  28           H        ARG  28   6.228   3.314   1.412
  211    HA   ARG  28           HA       ARG  28   9.099   3.339   1.726
  212    HB2  ARG  28           1HB      ARG  28   7.290   5.773   1.835
  213    HB3  ARG  28           2HB      ARG  28   8.998   5.710   1.412
  214    HG2  ARG  28           1HG      ARG  28   6.638   4.741  -0.215
  215    HG3  ARG  28           2HG      ARG  28   7.735   6.051  -0.597
  216    HD2  ARG  28           1HD      ARG  28   8.308   3.061  -0.607
  217    HD3  ARG  28           2HD      ARG  28   8.142   4.098  -2.008
  218    HE   ARG  28           HE       ARG  28  10.535   3.701  -0.428
  219   HH11  ARG  28          2HH1      ARG  28   9.038   6.249  -2.342
  220   HH12  ARG  28          1HH1      ARG  28  10.586   6.640  -3.050
  221   HH21  ARG  28          2HH2      ARG  28  12.394   4.576  -1.030
  222   HH22  ARG  28          1HH2      ARG  28  12.424   6.033  -2.013
  223    H    GLU  29           H        GLU  29   6.526   4.475   3.917
  224    HA   GLU  29           HA       GLU  29   8.399   5.504   5.882
  225    HB2  GLU  29           1HB      GLU  29   5.412   4.934   5.943
  226    HB3  GLU  29           2HB      GLU  29   6.280   5.656   7.294
  227    HG2  GLU  29           1HG      GLU  29   6.191   6.877   4.502
  228    HG3  GLU  29           2HG      GLU  29   5.095   7.292   5.813
  229    H    VAL  30           H        VAL  30   6.673   2.406   5.599
  230    HA   VAL  30           HA       VAL  30   7.631   1.614   8.300
  231    HB   VAL  30           HB       VAL  30   5.457   0.365   6.581
  232   HG11  VAL  30          1HG1      VAL  30   6.289  -1.229   8.238
  233   HG12  VAL  30          2HG1      VAL  30   6.156  -0.006   9.524
  234   HG13  VAL  30          3HG1      VAL  30   4.702  -0.643   8.726
  235   HG21  VAL  30          3HG2      VAL  30   3.895   1.492   8.193
  236   HG22  VAL  30          1HG2      VAL  30   5.280   2.362   8.887
  237   HG23  VAL  30          2HG2      VAL  30   4.790   2.645   7.204
  238    H    HIS  31           H        HIS  31   7.899   0.571   4.928
  239    HA   HIS  31           HA       HIS  31   9.600  -1.730   5.829
  240    HB2  HIS  31           1HB      HIS  31   8.153  -1.376   3.201
  241    HB3  HIS  31           2HB      HIS  31   9.051  -2.790   3.735
  242    HD1  HIS  31           1HD      HIS  31   7.868  -3.575   6.430
  243    HD2  HIS  31           2HD      HIS  31   5.644  -2.002   3.239
  244    HE1  HIS  31           1HE      HIS  31   5.480  -4.359   6.791
  245    H    GLY  32           H        GLY  32   9.798   1.337   4.255
  246    HA2  GLY  32           1HA      GLY  32  11.622   2.495   3.511
  247    HA3  GLY  32           2HA      GLY  32  12.639   1.255   4.250
  248    H    ALA  33           H        ALA  33  10.358   0.810   1.494
  249    HA   ALA  33           HA       ALA  33  12.361  -0.443  -0.144
  250    HB1  ALA  33           1HB      ALA  33  10.503  -0.682  -1.717
  251    HB2  ALA  33           2HB      ALA  33   9.951  -1.071  -0.085
  252    HB3  ALA  33           3HB      ALA  33   9.543   0.507  -0.814
  253    H    ALA  34           H        ALA  34  12.140   0.307  -2.548
  254    HA   ALA  34           HA       ALA  34  13.292   3.054  -2.747
  255    HB1  ALA  34           1HB      ALA  34  15.015   1.329  -2.823
  256    HB2  ALA  34           2HB      ALA  34  14.170   0.504  -4.153
  257    HB3  ALA  34           3HB      ALA  34  14.853   2.127  -4.399
  258    H    GLN  35           H        GLN  35  11.837   4.230  -3.632
  259    HA   GLN  35           HA       GLN  35  10.973   3.753  -6.428
  260    HB2  GLN  35           1HB      GLN  35   9.121   4.784  -4.244
  261    HB3  GLN  35           2HB      GLN  35   8.779   4.842  -5.958
  262    HG2  GLN  35           1HG      GLN  35   9.205   2.239  -4.412
  263    HG3  GLN  35           2HG      GLN  35   7.643   3.002  -4.650
  264   HE21  GLN  35          1HE2      GLN  35  10.289   1.320  -6.354
  265   HE22  GLN  35          2HE2      GLN  35   9.320   0.981  -7.795
  Start of MODEL    9
    1    H1   GLY   1           1H       GLY   1 -22.117 -10.879  -0.381
    2    H2   GLY   1           2H       GLY   1 -23.301 -10.128   0.466
    3    H3   GLY   1           3H       GLY   1 -22.284 -11.164   1.224
    4    HA2  GLY   1           1HA      GLY   1 -21.691  -8.892   1.753
    5    HA3  GLY   1           2HA      GLY   1 -20.405  -9.719   0.856
    6    H    SER   2           H        SER   2 -21.435  -6.799   1.093
    7    HA   SER   2           HA       SER   2 -22.406  -6.027  -1.496
    8    HB2  SER   2           1HB      SER   2 -21.081  -4.341   0.659
    9    HB3  SER   2           2HB      SER   2 -22.036  -3.739  -0.711
   10    HG   SER   2           HG       SER   2 -23.288  -3.913   1.212
   11    H    SER   3           H        SER   3 -21.420  -4.932  -3.195
   12    HA   SER   3           HA       SER   3 -18.784  -5.755  -3.896
   13    HB2  SER   3           1HB      SER   3 -20.508  -3.617  -5.200
   14    HB3  SER   3           2HB      SER   3 -19.150  -4.486  -5.942
   15    HG   SER   3           HG       SER   3 -21.182  -5.400  -6.513
   16    H    GLY   4           H        GLY   4 -19.759  -2.940  -2.134
   17    HA2  GLY   4           1HA      GLY   4 -17.690  -1.111  -2.917
   18    HA3  GLY   4           2HA      GLY   4 -18.710  -1.007  -1.482
   19    H    SER   5           H        SER   5 -17.310  -3.946  -1.091
   20    HA   SER   5           HA       SER   5 -15.405  -3.004   0.873
   21    HB2  SER   5           1HB      SER   5 -16.082  -5.822  -0.026
   22    HB3  SER   5           2HB      SER   5 -15.142  -5.386   1.414
   23    HG   SER   5           HG       SER   5 -17.369  -5.761   1.883
   24    H    SER   6           H        SER   6 -14.790  -2.889  -2.265
   25    HA   SER   6           HA       SER   6 -12.323  -4.362  -2.570
   26    HB2  SER   6           1HB      SER   6 -12.068  -2.990  -4.617
   27    HB3  SER   6           2HB      SER   6 -13.639  -3.800  -4.499
   28    HG   SER   6           HG       SER   6 -13.838  -1.603  -5.147
   29    H    GLY   7           H        GLY   7 -10.206  -3.427  -2.940
   30    HA2  GLY   7           1HA      GLY   7  -9.331  -0.848  -2.231
   31    HA3  GLY   7           2HA      GLY   7  -9.262  -1.824  -0.762
   32    H    TYR   8           H        TYR   8  -6.948  -1.131  -1.115
   33    HA   TYR   8           HA       TYR   8  -5.413  -3.036  -2.855
   34    HB2  TYR   8           1HB      TYR   8  -4.643  -0.285  -1.808
   35    HB3  TYR   8           2HB      TYR   8  -3.604  -1.355  -2.738
   36    HD1  TYR   8           2HD      TYR   8  -6.709   0.703  -2.883
   37    HD2  TYR   8           1HD      TYR   8  -3.795  -1.541  -5.138
   38    HE1  TYR   8           2HE      TYR   8  -7.636   1.626  -5.001
   39    HE2  TYR   8           1HE      TYR   8  -4.715  -0.608  -7.254
   40    HH   TYR   8           HH       TYR   8  -6.285   0.764  -8.210
   41    H    VAL   9           H        VAL   9  -3.608  -4.149  -1.916
   42    HA   VAL   9           HA       VAL   9  -3.395  -3.987   1.048
   43    HB   VAL   9           HB       VAL   9  -3.569  -6.598  -0.488
   44   HG11  VAL   9          1HG1      VAL   9  -3.800  -7.545   1.816
   45   HG12  VAL   9          2HG1      VAL   9  -2.248  -6.735   1.582
   46   HG13  VAL   9          3HG1      VAL   9  -3.537  -5.922   2.491
   47   HG21  VAL   9          3HG2      VAL   9  -5.816  -5.554  -0.452
   48   HG22  VAL   9          1HG2      VAL   9  -5.747  -6.934   0.642
   49   HG23  VAL   9          2HG2      VAL   9  -5.657  -5.290   1.302
   50    H    CYS  10           H        CYS  10  -1.457  -4.235   1.917
   51    HA   CYS  10           HA       CYS  10   0.930  -3.895   0.418
   52    HB2  CYS  10           1HB      CYS  10   0.449  -3.140   2.737
   53    HB3  CYS  10           2HB      CYS  10   0.484  -4.826   3.276
   54    H    ALA  11           H        ALA  11   2.148  -5.257  -0.659
   55    HA   ALA  11           HA       ALA  11   1.711  -8.121  -0.642
   56    HB1  ALA  11           1HB      ALA  11   2.338  -6.865  -2.667
   57    HB2  ALA  11           2HB      ALA  11   3.897  -6.427  -1.931
   58    HB3  ALA  11           3HB      ALA  11   3.532  -8.124  -2.304
   59    H    LEU  12           H        LEU  12   3.376  -6.172   1.540
   60    HA   LEU  12           HA       LEU  12   5.486  -8.184   2.158
   61    HB2  LEU  12           1HB      LEU  12   5.237  -5.294   3.068
   62    HB3  LEU  12           2HB      LEU  12   6.548  -6.407   3.383
   63    HG   LEU  12           HG       LEU  12   6.915  -6.480   0.824
   64   HD11  LEU  12          1HD1      LEU  12   6.309  -4.320  -0.336
   65   HD12  LEU  12          2HD1      LEU  12   5.201  -3.952   0.998
   66   HD13  LEU  12          3HD1      LEU  12   4.916  -5.348  -0.057
   67   HD21  LEU  12          3HD2      LEU  12   8.261  -4.426   0.957
   68   HD22  LEU  12          1HD2      LEU  12   8.329  -5.308   2.498
   69   HD23  LEU  12          2HD2      LEU  12   7.273  -3.891   2.336
   70    H    CYS  13           H        CYS  13   3.173  -6.077   3.844
   71    HA   CYS  13           HA       CYS  13   3.099  -8.019   6.115
   72    HB2  CYS  13           1HB      CYS  13   2.661  -6.313   7.645
   73    HB3  CYS  13           2HB      CYS  13   4.091  -5.924   6.707
   74    H    LEU  14           H        LEU  14   1.116  -7.358   3.593
   75    HA   LEU  14           HA       LEU  14  -1.028  -7.737   3.098
   76    HB2  LEU  14           1HB      LEU  14  -0.724  -9.670   5.391
   77    HB3  LEU  14           2HB      LEU  14  -2.179  -9.585   4.433
   78    HG   LEU  14           HG       LEU  14  -0.787 -11.397   3.723
   79   HD11  LEU  14          1HD1      LEU  14  -0.853  -9.284   1.537
   80   HD12  LEU  14          2HD1      LEU  14  -2.245 -10.255   2.069
   81   HD13  LEU  14          3HD1      LEU  14  -0.836 -11.044   1.340
   82   HD21  LEU  14          3HD2      LEU  14   1.464 -10.408   4.200
   83   HD22  LEU  14          1HD2      LEU  14   1.301  -9.440   2.713
   84   HD23  LEU  14          2HD2      LEU  14   1.322 -11.207   2.623
   85    H    LYS  15           H        LYS  15  -0.535  -5.487   4.925
   86    HA   LYS  15           HA       LYS  15  -3.081  -4.980   6.280
   87    HB2  LYS  15           1HB      LYS  15  -0.848  -4.077   6.963
   88    HB3  LYS  15           2HB      LYS  15  -0.830  -3.143   5.448
   89    HG2  LYS  15           1HG      LYS  15  -2.701  -1.794   6.162
   90    HG3  LYS  15           2HG      LYS  15  -3.061  -2.868   7.517
   91    HD2  LYS  15           1HD      LYS  15  -0.517  -1.199   7.291
   92    HD3  LYS  15           2HD      LYS  15  -1.983  -0.701   8.154
   93    HE2  LYS  15           1HE      LYS  15  -1.806  -2.793   9.555
   94    HE3  LYS  15           2HE      LYS  15  -0.253  -3.135   8.786
   95    HZ1  LYS  15           3HZ      LYS  15   0.572  -1.013   9.681
   96    HZ2  LYS  15           1HZ      LYS  15   0.037  -1.966  10.892
   97    HZ3  LYS  15           2HZ      LYS  15  -0.870  -0.708  10.390
   98    H    LYS  16           H        LYS  16  -4.788  -3.762   5.561
   99    HA   LYS  16           HA       LYS  16  -4.969  -3.300   2.642
  100    HB2  LYS  16           1HB      LYS  16  -6.528  -4.827   3.812
  101    HB3  LYS  16           2HB      LYS  16  -7.179  -3.455   4.717
  102    HG2  LYS  16           1HG      LYS  16  -8.021  -2.431   2.665
  103    HG3  LYS  16           2HG      LYS  16  -7.178  -3.630   1.666
  104    HD2  LYS  16           1HD      LYS  16  -8.547  -5.430   2.749
  105    HD3  LYS  16           2HD      LYS  16  -9.444  -4.165   3.623
  106    HE2  LYS  16           1HE      LYS  16 -10.092  -3.168   1.421
  107    HE3  LYS  16           2HE      LYS  16  -9.232  -4.483   0.595
  108    HZ1  LYS  16           3HZ      LYS  16 -11.670  -4.890   0.847
  109    HZ2  LYS  16           1HZ      LYS  16 -11.510  -4.896   2.465
  110    HZ3  LYS  16           2HZ      LYS  16 -10.779  -6.058   1.576
  111    H    PHE  17           H        PHE  17  -5.805  -1.530   1.690
  112    HA   PHE  17           HA       PHE  17  -5.876   1.068   3.147
  113    HB2  PHE  17           1HB      PHE  17  -4.139   0.340   0.753
  114    HB3  PHE  17           2HB      PHE  17  -4.380   1.979   1.340
  115    HD1  PHE  17           2HD      PHE  17  -3.576   2.664   3.607
  116    HD2  PHE  17           1HD      PHE  17  -2.624  -1.193   1.922
  117    HE1  PHE  17           2HE      PHE  17  -1.797   2.356   5.310
  118    HE2  PHE  17           1HE      PHE  17  -0.850  -1.492   3.623
  119    HZ   PHE  17           HZ       PHE  17  -0.462   0.263   5.338
  120    H    VAL  18           H        VAL  18  -6.884   2.756   2.109
  121    HA   VAL  18           HA       VAL  18  -9.203   2.099   0.558
  122    HB   VAL  18           HB       VAL  18  -9.119   3.800   2.316
  123   HG11  VAL  18          1HG1      VAL  18  -6.898   4.829   1.845
  124   HG12  VAL  18          2HG1      VAL  18  -7.573   5.574   0.376
  125   HG13  VAL  18          3HG1      VAL  18  -8.194   6.019   1.973
  126   HG21  VAL  18          3HG2      VAL  18 -10.899   3.899   0.596
  127   HG22  VAL  18          1HG2      VAL  18 -10.502   5.482   1.289
  128   HG23  VAL  18          2HG2      VAL  18  -9.918   5.062  -0.330
  129    H    SER  19           H        SER  19  -6.070   3.384  -0.391
  130    HA   SER  19           HA       SER  19  -6.731   3.137  -3.252
  131    HB2  SER  19           1HB      SER  19  -7.407   5.438  -2.780
  132    HB3  SER  19           2HB      SER  19  -5.846   5.768  -2.011
  133    HG   SER  19           HG       SER  19  -6.053   6.439  -4.267
  134    H    SER  20           H        SER  20  -4.800   3.085  -4.582
  135    HA   SER  20           HA       SER  20  -2.630   1.708  -3.378
  136    HB2  SER  20           1HB      SER  20  -1.563   1.685  -5.456
  137    HB3  SER  20           2HB      SER  20  -3.288   1.611  -5.819
  138    HG   SER  20           HG       SER  20  -3.237   3.759  -6.449
  139    H    ILE  21           H        ILE  21  -3.060   5.184  -3.917
  140    HA   ILE  21           HA       ILE  21  -0.395   6.076  -3.472
  141    HB   ILE  21           HB       ILE  21  -3.053   7.354  -2.721
  142   HG12  ILE  21          1HG1      ILE  21  -2.971   6.977  -5.105
  143   HG13  ILE  21          2HG1      ILE  21  -2.802   8.686  -4.762
  144   HG21  ILE  21          1HG2      ILE  21  -1.746   9.517  -2.778
  145   HG22  ILE  21          2HG2      ILE  21  -1.387   8.460  -1.410
  146   HG23  ILE  21          3HG2      ILE  21  -0.257   8.538  -2.777
  147   HD11  ILE  21          3HD1      ILE  21  -0.562   6.792  -5.600
  148   HD12  ILE  21          1HD1      ILE  21  -1.313   8.063  -6.570
  149   HD13  ILE  21          2HD1      ILE  21  -0.328   8.505  -5.166
  150    H    ARG  22           H        ARG  22  -2.922   5.239  -1.103
  151    HA   ARG  22           HA       ARG  22  -1.356   6.095   1.222
  152    HB2  ARG  22           1HB      ARG  22  -3.921   4.479   0.879
  153    HB3  ARG  22           2HB      ARG  22  -3.144   4.698   2.437
  154    HG2  ARG  22           1HG      ARG  22  -4.858   6.325   2.288
  155    HG3  ARG  22           2HG      ARG  22  -3.305   7.170   2.196
  156    HD2  ARG  22           1HD      ARG  22  -3.591   7.484  -0.227
  157    HD3  ARG  22           2HD      ARG  22  -5.047   6.484  -0.192
  158    HE   ARG  22           HE       ARG  22  -6.278   8.246   0.668
  159   HH11  ARG  22          2HH1      ARG  22  -2.908   9.219   0.837
  160   HH12  ARG  22          1HH1      ARG  22  -3.321  10.875   1.183
  161   HH21  ARG  22          2HH2      ARG  22  -6.716  10.366   1.123
  162   HH22  ARG  22          1HH2      ARG  22  -5.415  11.496   1.347
  163    H    LEU  23           H        LEU  23  -1.789   3.049  -0.518
  164    HA   LEU  23           HA       LEU  23  -0.208   1.457   1.291
  165    HB2  LEU  23           1HB      LEU  23  -1.792   0.381  -0.128
  166    HB3  LEU  23           2HB      LEU  23  -1.149   1.152  -1.575
  167    HG   LEU  23           HG       LEU  23   0.908  -0.125  -1.428
  168   HD11  LEU  23          1HD1      LEU  23  -0.326  -1.670   0.887
  169   HD12  LEU  23          2HD1      LEU  23   0.936  -0.451   1.104
  170   HD13  LEU  23          3HD1      LEU  23   1.289  -1.874   0.153
  171   HD21  LEU  23          3HD2      LEU  23  -0.976  -1.053  -2.688
  172   HD22  LEU  23          1HD2      LEU  23  -1.581  -1.861  -1.224
  173   HD23  LEU  23          2HD2      LEU  23  -0.029  -2.349  -1.938
  174    H    ARG  24           H        ARG  24   0.619   3.233  -1.758
  175    HA   ARG  24           HA       ARG  24   3.300   2.334  -2.043
  176    HB2  ARG  24           1HB      ARG  24   1.970   4.991  -2.707
  177    HB3  ARG  24           2HB      ARG  24   3.630   4.628  -3.174
  178    HG2  ARG  24           1HG      ARG  24   2.997   2.874  -4.658
  179    HG3  ARG  24           2HG      ARG  24   1.381   2.760  -3.989
  180    HD2  ARG  24           1HD      ARG  24   1.174   5.285  -4.777
  181    HD3  ARG  24           2HD      ARG  24   2.513   4.878  -5.836
  182    HE   ARG  24           HE       ARG  24  -0.294   3.951  -5.964
  183   HH11  ARG  24          2HH1      ARG  24   2.902   3.333  -7.288
  184   HH12  ARG  24          1HH1      ARG  24   2.240   2.510  -8.673
  185   HH21  ARG  24          2HH2      ARG  24  -1.038   2.936  -7.667
  186   HH22  ARG  24          1HH2      ARG  24   0.032   2.288  -8.896
  187    H    SER  25           H        SER  25   2.172   5.285  -0.383
  188    HA   SER  25           HA       SER  25   4.732   5.953   0.707
  189    HB2  SER  25           1HB      SER  25   1.891   6.755   1.413
  190    HB3  SER  25           2HB      SER  25   3.332   7.482   2.177
  191    HG   SER  25           HG       SER  25   2.602   8.682   0.347
  192    H    HIS  26           H        HIS  26   2.101   3.911   2.092
  193    HA   HIS  26           HA       HIS  26   3.193   3.592   4.708
  194    HB2  HIS  26           1HB      HIS  26   1.091   2.639   4.440
  195    HB3  HIS  26           2HB      HIS  26   1.472   1.901   2.902
  196    HD1  HIS  26           1HD      HIS  26   1.905   1.215   6.637
  197    HD2  HIS  26           2HD      HIS  26   2.641  -0.523   2.880
  198    HE1  HIS  26           1HE      HIS  26   2.440  -1.222   7.093
  199    H    ILE  27           H        ILE  27   3.966   1.795   1.668
  200    HA   ILE  27           HA       ILE  27   5.826   0.029   2.901
  201    HB   ILE  27           HB       ILE  27   5.843   1.011   0.026
  202   HG12  ILE  27          1HG1      ILE  27   4.624  -1.586   1.074
  203   HG13  ILE  27          2HG1      ILE  27   3.676  -0.137   0.815
  204   HG21  ILE  27          1HG2      ILE  27   7.974  -0.094   0.785
  205   HG22  ILE  27          2HG2      ILE  27   7.023  -1.541   1.205
  206   HG23  ILE  27          3HG2      ILE  27   7.144  -0.989  -0.476
  207   HD11  ILE  27          3HD1      ILE  27   3.428  -1.505  -1.130
  208   HD12  ILE  27          1HD1      ILE  27   4.408  -0.089  -1.579
  209   HD13  ILE  27          2HD1      ILE  27   5.178  -1.674  -1.324
  210    H    ARG  28           H        ARG  28   6.343   3.267   1.459
  211    HA   ARG  28           HA       ARG  28   9.210   3.211   1.845
  212    HB2  ARG  28           1HB      ARG  28   7.512   5.714   1.862
  213    HB3  ARG  28           2HB      ARG  28   9.204   5.531   1.409
  214    HG2  ARG  28           1HG      ARG  28   6.740   4.732  -0.156
  215    HG3  ARG  28           2HG      ARG  28   7.980   5.903  -0.599
  216    HD2  ARG  28           1HD      ARG  28   9.602   3.957  -0.716
  217    HD3  ARG  28           2HD      ARG  28   8.198   2.873  -0.505
  218    HE   ARG  28           HE       ARG  28   7.662   4.649  -2.670
  219   HH11  ARG  28          2HH1      ARG  28   9.910   2.069  -1.992
  220   HH12  ARG  28          1HH1      ARG  28   9.782   1.395  -3.614
  221   HH21  ARG  28          2HH2      ARG  28   7.855   3.932  -4.829
  222   HH22  ARG  28          1HH2      ARG  28   8.962   2.617  -5.169
  223    H    GLU  29           H        GLU  29   6.554   4.385   3.902
  224    HA   GLU  29           HA       GLU  29   8.250   5.602   5.879
  225    HB2  GLU  29           1HB      GLU  29   5.338   4.743   5.852
  226    HB3  GLU  29           2HB      GLU  29   6.078   5.477   7.270
  227    HG2  GLU  29           1HG      GLU  29   6.064   6.818   4.534
  228    HG3  GLU  29           2HG      GLU  29   4.819   7.057   5.753
  229    H    VAL  30           H        VAL  30   6.769   2.315   5.778
  230    HA   VAL  30           HA       VAL  30   8.193   1.756   8.354
  231    HB   VAL  30           HB       VAL  30   6.635   0.253   8.959
  232   HG11  VAL  30          1HG1      VAL  30   5.002   2.470   7.665
  233   HG12  VAL  30          2HG1      VAL  30   4.553   1.514   9.091
  234   HG13  VAL  30          3HG1      VAL  30   5.926   2.636   9.178
  235   HG21  VAL  30          3HG2      VAL  30   6.144  -1.023   6.965
  236   HG22  VAL  30          1HG2      VAL  30   4.659  -0.478   7.729
  237   HG23  VAL  30          2HG2      VAL  30   5.248   0.342   6.268
  238    H    HIS  31           H        HIS  31   7.936   0.507   5.071
  239    HA   HIS  31           HA       HIS  31   9.631  -1.835   5.876
  240    HB2  HIS  31           1HB      HIS  31   8.202  -1.363   3.253
  241    HB3  HIS  31           2HB      HIS  31   9.077  -2.802   3.740
  242    HD1  HIS  31           1HD      HIS  31   7.873  -3.660   6.406
  243    HD2  HIS  31           2HD      HIS  31   5.688  -1.990   3.239
  244    HE1  HIS  31           1HE      HIS  31   5.474  -4.410   6.742
  245    H    GLY  32           H        GLY  32   9.839   1.266   4.470
  246    HA2  GLY  32           1HA      GLY  32  11.614   2.491   3.723
  247    HA3  GLY  32           2HA      GLY  32  12.661   1.281   4.474
  248    H    ALA  33           H        ALA  33  10.547   0.399   1.783
  249    HA   ALA  33           HA       ALA  33  12.681  -0.590   0.177
  250    HB1  ALA  33           1HB      ALA  33  10.902  -1.009  -1.462
  251    HB2  ALA  33           2HB      ALA  33  10.362  -1.481   0.162
  252    HB3  ALA  33           3HB      ALA  33   9.794   0.044  -0.561
  253    H    ALA  34           H        ALA  34  14.046   0.540  -0.933
  254    HA   ALA  34           HA       ALA  34  13.666   3.352  -1.535
  255    HB1  ALA  34           1HB      ALA  34  16.067   3.311  -2.040
  256    HB2  ALA  34           2HB      ALA  34  15.735   2.447  -0.528
  257    HB3  ALA  34           3HB      ALA  34  16.060   1.534  -2.022
  258    H    GLN  35           H        GLN  35  12.607   0.907  -3.316
  259    HA   GLN  35           HA       GLN  35  12.768   2.375  -5.907
  260    HB2  GLN  35           1HB      GLN  35  13.231  -0.616  -5.545
  261    HB3  GLN  35           2HB      GLN  35  12.949   0.191  -7.092
  262    HG2  GLN  35           1HG      GLN  35  14.987   1.591  -6.720
  263    HG3  GLN  35           2HG      GLN  35  15.306   0.710  -5.224
  264   HE21  GLN  35          1HE2      GLN  35  17.396   0.596  -6.821
  265   HE22  GLN  35          2HE2      GLN  35  17.471  -0.924  -7.703
  Start of MODEL   10
    1    H1   GLY   1           1H       GLY   1 -21.512   4.911   7.624
    2    H2   GLY   1           2H       GLY   1 -19.944   5.084   7.175
    3    H3   GLY   1           3H       GLY   1 -20.802   3.793   6.653
    4    HA2  GLY   1           1HA      GLY   1 -22.275   5.225   5.375
    5    HA3  GLY   1           2HA      GLY   1 -21.300   6.607   5.915
    6    H    SER   2           H        SER   2 -21.831   5.061   3.224
    7    HA   SER   2           HA       SER   2 -20.747   4.273   1.395
    8    HB2  SER   2           1HB      SER   2 -18.590   6.246   2.203
    9    HB3  SER   2           2HB      SER   2 -18.819   5.532   0.596
   10    HG   SER   2           HG       SER   2 -19.791   7.613   0.778
   11    H    SER   3           H        SER   3 -20.506   2.580   3.522
   12    HA   SER   3           HA       SER   3 -17.826   1.761   4.102
   13    HB2  SER   3           1HB      SER   3 -20.414   0.318   4.747
   14    HB3  SER   3           2HB      SER   3 -18.851   0.161   5.569
   15    HG   SER   3           HG       SER   3 -20.204   1.516   6.743
   16    H    GLY   4           H        GLY   4 -17.896   1.528   1.388
   17    HA2  GLY   4           1HA      GLY   4 -18.601  -1.058   0.343
   18    HA3  GLY   4           2HA      GLY   4 -17.542   0.121  -0.421
   19    H    SER   5           H        SER   5 -17.294  -2.770  -0.342
   20    HA   SER   5           HA       SER   5 -15.194  -3.507   1.519
   21    HB2  SER   5           1HB      SER   5 -16.321  -5.039  -0.848
   22    HB3  SER   5           2HB      SER   5 -15.349  -5.704   0.476
   23    HG   SER   5           HG       SER   5 -17.603  -6.029   0.800
   24    H    SER   6           H        SER   6 -14.930  -1.852  -1.414
   25    HA   SER   6           HA       SER   6 -12.657  -3.186  -2.581
   26    HB2  SER   6           1HB      SER   6 -12.532  -1.135  -4.000
   27    HB3  SER   6           2HB      SER   6 -14.106  -1.944  -3.998
   28    HG   SER   6           HG       SER   6 -14.292   0.341  -3.768
   29    H    GLY   7           H        GLY   7 -10.520  -2.417  -2.830
   30    HA2  GLY   7           1HA      GLY   7  -9.223  -0.267  -1.670
   31    HA3  GLY   7           2HA      GLY   7  -9.273  -1.473  -0.384
   32    H    TYR   8           H        TYR   8  -6.907  -0.977  -0.808
   33    HA   TYR   8           HA       TYR   8  -5.685  -2.954  -2.710
   34    HB2  TYR   8           1HB      TYR   8  -4.597  -0.238  -1.867
   35    HB3  TYR   8           2HB      TYR   8  -3.821  -1.387  -2.947
   36    HD1  TYR   8           2HD      TYR   8  -6.753   0.890  -2.588
   37    HD2  TYR   8           1HD      TYR   8  -4.374  -1.496  -5.283
   38    HE1  TYR   8           2HE      TYR   8  -7.917   1.919  -4.527
   39    HE2  TYR   8           1HE      TYR   8  -5.519  -0.445  -7.222
   40    HH   TYR   8           HH       TYR   8  -7.117   1.050  -7.916
   41    H    VAL   9           H        VAL   9  -3.693  -3.997  -1.919
   42    HA   VAL   9           HA       VAL   9  -3.390  -3.871   1.046
   43    HB   VAL   9           HB       VAL   9  -3.532  -6.458  -0.531
   44   HG11  VAL   9          1HG1      VAL   9  -3.785  -7.445   1.732
   45   HG12  VAL   9          2HG1      VAL   9  -2.267  -6.552   1.601
   46   HG13  VAL   9          3HG1      VAL   9  -3.638  -5.828   2.455
   47   HG21  VAL   9          3HG2      VAL   9  -5.730  -6.825   0.562
   48   HG22  VAL   9          1HG2      VAL   9  -5.677  -5.172   1.208
   49   HG23  VAL   9          2HG2      VAL   9  -5.793  -5.457  -0.547
   50    H    CYS  10           H        CYS  10  -1.455  -4.179   1.902
   51    HA   CYS  10           HA       CYS  10   0.968  -3.801   0.476
   52    HB2  CYS  10           1HB      CYS  10   0.486  -3.235   2.825
   53    HB3  CYS  10           2HB      CYS  10   0.454  -4.960   3.221
   54    H    ALA  11           H        ALA  11   2.443  -5.105  -0.393
   55    HA   ALA  11           HA       ALA  11   1.838  -7.966  -0.751
   56    HB1  ALA  11           1HB      ALA  11   2.542  -6.580  -2.663
   57    HB2  ALA  11           2HB      ALA  11   4.090  -6.236  -1.857
   58    HB3  ALA  11           3HB      ALA  11   3.691  -7.894  -2.354
   59    H    LEU  12           H        LEU  12   3.404  -6.203   1.632
   60    HA   LEU  12           HA       LEU  12   5.499  -8.272   2.158
   61    HB2  LEU  12           1HB      LEU  12   5.354  -5.411   3.166
   62    HB3  LEU  12           2HB      LEU  12   6.645  -6.570   3.383
   63    HG   LEU  12           HG       LEU  12   6.882  -6.516   0.774
   64   HD11  LEU  12          1HD1      LEU  12   4.879  -5.172   0.156
   65   HD12  LEU  12          2HD1      LEU  12   6.343  -4.264  -0.197
   66   HD13  LEU  12          3HD1      LEU  12   5.393  -3.878   1.248
   67   HD21  LEU  12          3HD2      LEU  12   8.474  -5.593   2.412
   68   HD22  LEU  12          1HD2      LEU  12   7.483  -4.126   2.526
   69   HD23  LEU  12          2HD2      LEU  12   8.331  -4.512   1.009
   70    H    CYS  13           H        CYS  13   3.277  -6.129   3.925
   71    HA   CYS  13           HA       CYS  13   3.133  -8.120   6.146
   72    HB2  CYS  13           1HB      CYS  13   2.650  -6.422   7.687
   73    HB3  CYS  13           2HB      CYS  13   4.119  -6.038   6.812
   74    H    LEU  14           H        LEU  14   1.257  -7.248   3.586
   75    HA   LEU  14           HA       LEU  14  -0.875  -7.555   2.970
   76    HB2  LEU  14           1HB      LEU  14  -0.544  -9.747   5.000
   77    HB3  LEU  14           2HB      LEU  14  -2.041  -9.544   4.107
   78    HG   LEU  14           HG       LEU  14  -0.894  -9.767   1.960
   79   HD11  LEU  14          1HD1      LEU  14   1.385  -9.041   2.366
   80   HD12  LEU  14          2HD1      LEU  14   1.424 -10.731   1.896
   81   HD13  LEU  14          3HD1      LEU  14   1.615 -10.297   3.610
   82   HD21  LEU  14          3HD2      LEU  14  -0.288 -12.023   3.915
   83   HD22  LEU  14          1HD2      LEU  14  -0.441 -12.170   2.150
   84   HD23  LEU  14          2HD2      LEU  14  -1.851 -11.725   3.120
   85    H    LYS  15           H        LYS  15  -0.492  -5.473   4.962
   86    HA   LYS  15           HA       LYS  15  -3.079  -5.078   6.266
   87    HB2  LYS  15           1HB      LYS  15  -0.886  -4.112   7.017
   88    HB3  LYS  15           2HB      LYS  15  -0.873  -3.146   5.520
   89    HG2  LYS  15           1HG      LYS  15  -2.804  -1.875   6.237
   90    HG3  LYS  15           2HG      LYS  15  -3.134  -3.003   7.567
   91    HD2  LYS  15           1HD      LYS  15  -1.089  -2.309   8.722
   92    HD3  LYS  15           2HD      LYS  15  -0.659  -1.229   7.378
   93    HE2  LYS  15           1HE      LYS  15  -2.725   0.080   7.744
   94    HE3  LYS  15           2HE      LYS  15  -3.219  -1.025   9.031
   95    HZ1  LYS  15           3HZ      LYS  15  -0.797   0.697   9.117
   96    HZ2  LYS  15           1HZ      LYS  15  -1.257  -0.334  10.300
   97    HZ3  LYS  15           2HZ      LYS  15  -2.177   0.963   9.943
   98    H    LYS  16           H        LYS  16  -4.807  -3.875   5.556
   99    HA   LYS  16           HA       LYS  16  -4.955  -3.271   2.662
  100    HB2  LYS  16           1HB      LYS  16  -6.542  -4.836   3.736
  101    HB3  LYS  16           2HB      LYS  16  -7.182  -3.509   4.713
  102    HG2  LYS  16           1HG      LYS  16  -8.019  -2.367   2.728
  103    HG3  LYS  16           2HG      LYS  16  -7.168  -3.499   1.659
  104    HD2  LYS  16           1HD      LYS  16  -8.549  -5.368   2.594
  105    HD3  LYS  16           2HD      LYS  16  -9.447  -4.173   3.561
  106    HE2  LYS  16           1HE      LYS  16 -10.100  -3.008   1.451
  107    HE3  LYS  16           2HE      LYS  16  -9.222  -4.234   0.517
  108    HZ1  LYS  16           3HZ      LYS  16 -11.651  -4.692   0.709
  109    HZ2  LYS  16           1HZ      LYS  16 -11.507  -4.836   2.324
  110    HZ3  LYS  16           2HZ      LYS  16 -10.754  -5.907   1.345
  111    H    PHE  17           H        PHE  17  -5.785  -1.449   1.794
  112    HA   PHE  17           HA       PHE  17  -5.779   1.088   3.358
  113    HB2  PHE  17           1HB      PHE  17  -4.118   0.384   0.897
  114    HB3  PHE  17           2HB      PHE  17  -4.317   2.013   1.518
  115    HD1  PHE  17           2HD      PHE  17  -3.519   2.611   3.830
  116    HD2  PHE  17           1HD      PHE  17  -2.555  -1.158   1.954
  117    HE1  PHE  17           2HE      PHE  17  -1.760   2.208   5.537
  118    HE2  PHE  17           1HE      PHE  17  -0.796  -1.545   3.655
  119    HZ   PHE  17           HZ       PHE  17  -0.436   0.109   5.469
  120    H    VAL  18           H        VAL  18  -6.738   2.865   2.369
  121    HA   VAL  18           HA       VAL  18  -9.095   2.315   0.819
  122    HB   VAL  18           HB       VAL  18  -8.993   3.970   2.605
  123   HG11  VAL  18          1HG1      VAL  18  -6.754   4.932   2.251
  124   HG12  VAL  18          2HG1      VAL  18  -7.300   5.701   0.743
  125   HG13  VAL  18          3HG1      VAL  18  -7.994   6.184   2.298
  126   HG21  VAL  18          3HG2      VAL  18 -10.733   4.159   0.848
  127   HG22  VAL  18          1HG2      VAL  18 -10.318   5.708   1.601
  128   HG23  VAL  18          2HG2      VAL  18  -9.708   5.326  -0.018
  129    H    SER  19           H        SER  19  -5.903   3.501  -0.133
  130    HA   SER  19           HA       SER  19  -6.743   3.395  -2.969
  131    HB2  SER  19           1HB      SER  19  -6.067   5.511  -3.562
  132    HB3  SER  19           2HB      SER  19  -6.856   5.812  -2.008
  133    HG   SER  19           HG       SER  19  -4.909   6.877  -2.045
  134    H    SER  20           H        SER  20  -4.947   3.325  -4.493
  135    HA   SER  20           HA       SER  20  -2.755   1.688  -3.605
  136    HB2  SER  20           1HB      SER  20  -1.985   1.790  -5.882
  137    HB3  SER  20           2HB      SER  20  -3.731   1.533  -5.840
  138    HG   SER  20           HG       SER  20  -3.596   3.134  -7.264
  139    H    ILE  21           H        ILE  21  -3.219   5.147  -3.648
  140    HA   ILE  21           HA       ILE  21  -0.376   5.870  -3.638
  141    HB   ILE  21           HB       ILE  21  -2.941   7.399  -3.101
  142   HG12  ILE  21          1HG1      ILE  21  -2.087   8.832  -4.956
  143   HG13  ILE  21          2HG1      ILE  21  -0.719   7.742  -5.169
  144   HG21  ILE  21          1HG2      ILE  21  -0.094   8.401  -2.703
  145   HG22  ILE  21          2HG2      ILE  21  -1.531   9.443  -2.817
  146   HG23  ILE  21          3HG2      ILE  21  -1.387   8.314  -1.479
  147   HD11  ILE  21          3HD1      ILE  21  -2.589   7.467  -6.825
  148   HD12  ILE  21          1HD1      ILE  21  -2.196   5.979  -5.963
  149   HD13  ILE  21          2HD1      ILE  21  -3.639   6.919  -5.503
  150    H    ARG  22           H        ARG  22  -2.933   5.438  -1.124
  151    HA   ARG  22           HA       ARG  22  -1.168   5.960   1.108
  152    HB2  ARG  22           1HB      ARG  22  -3.599   4.129   1.081
  153    HB3  ARG  22           2HB      ARG  22  -2.818   4.825   2.495
  154    HG2  ARG  22           1HG      ARG  22  -4.572   6.169   0.448
  155    HG3  ARG  22           2HG      ARG  22  -4.782   6.061   2.183
  156    HD2  ARG  22           1HD      ARG  22  -2.742   7.753   0.716
  157    HD3  ARG  22           2HD      ARG  22  -4.226   8.333   1.438
  158    HE   ARG  22           HE       ARG  22  -1.725   7.668   2.821
  159   HH11  ARG  22          2HH1      ARG  22  -5.149   8.218   3.353
  160   HH12  ARG  22          1HH1      ARG  22  -4.917   8.549   5.047
  161   HH21  ARG  22          2HH2      ARG  22  -1.513   8.090   4.986
  162   HH22  ARG  22          1HH2      ARG  22  -2.915   8.481   5.937
  163    H    LEU  23           H        LEU  23  -1.822   3.009  -0.728
  164    HA   LEU  23           HA       LEU  23  -0.254   1.226   0.884
  165    HB2  LEU  23           1HB      LEU  23  -1.900   0.332  -0.569
  166    HB3  LEU  23           2HB      LEU  23  -1.295   1.234  -1.958
  167    HG   LEU  23           HG       LEU  23   0.691  -0.132  -2.100
  168   HD11  LEU  23          1HD1      LEU  23   1.008  -2.129  -0.753
  169   HD12  LEU  23          2HD1      LEU  23  -0.423  -1.735   0.242
  170   HD13  LEU  23          3HD1      LEU  23   1.031  -0.727   0.305
  171   HD21  LEU  23          3HD2      LEU  23  -1.798  -1.853  -1.802
  172   HD22  LEU  23          1HD2      LEU  23  -0.355  -2.251  -2.749
  173   HD23  LEU  23          2HD2      LEU  23  -1.374  -0.885  -3.238
  174    H    ARG  24           H        ARG  24   0.604   3.074  -2.147
  175    HA   ARG  24           HA       ARG  24   3.293   2.198  -2.304
  176    HB2  ARG  24           1HB      ARG  24   1.953   4.838  -3.028
  177    HB3  ARG  24           2HB      ARG  24   3.677   4.612  -3.273
  178    HG2  ARG  24           1HG      ARG  24   3.311   2.732  -4.799
  179    HG3  ARG  24           2HG      ARG  24   1.565   2.829  -4.549
  180    HD2  ARG  24           1HD      ARG  24   1.714   5.274  -5.339
  181    HD3  ARG  24           2HD      ARG  24   3.389   4.950  -5.768
  182    HE   ARG  24           HE       ARG  24   2.697   3.767  -7.646
  183   HH11  ARG  24          2HH1      ARG  24  -0.086   4.092  -5.584
  184   HH12  ARG  24          1HH1      ARG  24  -1.234   3.853  -6.872
  185   HH21  ARG  24          2HH2      ARG  24   1.208   3.319  -9.262
  186   HH22  ARG  24          1HH2      ARG  24  -0.493   3.346  -8.900
  187    H    SER  25           H        SER  25   2.058   5.046  -0.566
  188    HA   SER  25           HA       SER  25   4.624   5.810   0.476
  189    HB2  SER  25           1HB      SER  25   1.772   6.559   1.175
  190    HB3  SER  25           2HB      SER  25   3.196   7.320   1.936
  191    HG   SER  25           HG       SER  25   2.453   8.488   0.091
  192    H    HIS  26           H        HIS  26   2.042   3.757   1.901
  193    HA   HIS  26           HA       HIS  26   3.020   3.501   4.541
  194    HB2  HIS  26           1HB      HIS  26   0.986   2.426   4.104
  195    HB3  HIS  26           2HB      HIS  26   1.560   1.673   2.630
  196    HD1  HIS  26           1HD      HIS  26   1.904   1.170   6.436
  197    HD2  HIS  26           2HD      HIS  26   2.635  -0.737   2.759
  198    HE1  HIS  26           1HE      HIS  26   2.424  -1.247   7.001
  199    H    ILE  27           H        ILE  27   4.060   1.716   1.604
  200    HA   ILE  27           HA       ILE  27   5.876  -0.011   2.930
  201    HB   ILE  27           HB       ILE  27   6.058   1.013   0.078
  202   HG12  ILE  27          1HG1      ILE  27   4.707  -1.566   0.998
  203   HG13  ILE  27          2HG1      ILE  27   3.817  -0.086   0.710
  204   HG21  ILE  27          1HG2      ILE  27   7.349  -0.949  -0.409
  205   HG22  ILE  27          2HG2      ILE  27   8.105  -0.196   0.991
  206   HG23  ILE  27          3HG2      ILE  27   7.067  -1.621   1.211
  207   HD11  ILE  27          3HD1      ILE  27   4.706  -0.011  -1.629
  208   HD12  ILE  27          1HD1      ILE  27   5.407  -1.626  -1.358
  209   HD13  ILE  27          2HD1      ILE  27   3.651  -1.399  -1.272
  210    H    ARG  28           H        ARG  28   6.346   3.299   1.721
  211    HA   ARG  28           HA       ARG  28   9.239   3.254   2.153
  212    HB2  ARG  28           1HB      ARG  28   7.637   5.783   2.022
  213    HB3  ARG  28           2HB      ARG  28   9.266   5.453   1.437
  214    HG2  ARG  28           1HG      ARG  28   6.618   4.622   0.233
  215    HG3  ARG  28           2HG      ARG  28   7.750   5.775  -0.448
  216    HD2  ARG  28           1HD      ARG  28   9.236   4.089  -1.157
  217    HD3  ARG  28           2HD      ARG  28   8.522   2.856  -0.094
  218    HE   ARG  28           HE       ARG  28   6.394   3.377  -1.578
  219   HH11  ARG  28          1HH1      ARG  28   9.664   2.591  -2.639
  220   HH12  ARG  28          2HH1      ARG  28   9.090   1.941  -4.153
  221   HH21  ARG  28          2HH2      ARG  28   5.771   2.532  -3.518
  222   HH22  ARG  28          1HH2      ARG  28   6.953   1.883  -4.618
  223    H    GLU  29           H        GLU  29   6.447   4.311   4.031
  224    HA   GLU  29           HA       GLU  29   7.940   5.612   6.124
  225    HB2  GLU  29           1HB      GLU  29   5.106   4.528   5.944
  226    HB3  GLU  29           2HB      GLU  29   5.721   5.335   7.381
  227    HG2  GLU  29           1HG      GLU  29   5.688   6.630   4.621
  228    HG3  GLU  29           2HG      GLU  29   4.403   6.796   5.809
  229    H    VAL  30           H        VAL  30   6.713   2.230   5.858
  230    HA   VAL  30           HA       VAL  30   8.120   1.668   8.446
  231    HB   VAL  30           HB       VAL  30   6.566   0.100   9.008
  232   HG11  VAL  30          1HG1      VAL  30   4.940   2.371   7.815
  233   HG12  VAL  30          2HG1      VAL  30   4.500   1.364   9.210
  234   HG13  VAL  30          3HG1      VAL  30   5.876   2.479   9.325
  235   HG21  VAL  30          3HG2      VAL  30   5.174   0.342   6.325
  236   HG22  VAL  30          1HG2      VAL  30   6.072  -1.064   6.933
  237   HG23  VAL  30          2HG2      VAL  30   4.591  -0.565   7.737
  238    H    HIS  31           H        HIS  31   7.902   0.496   5.143
  239    HA   HIS  31           HA       HIS  31   9.650  -1.828   5.894
  240    HB2  HIS  31           1HB      HIS  31   8.209  -1.372   3.278
  241    HB3  HIS  31           2HB      HIS  31   9.105  -2.795   3.769
  242    HD1  HIS  31           1HD      HIS  31   7.886  -3.683   6.420
  243    HD2  HIS  31           2HD      HIS  31   5.714  -2.049   3.225
  244    HE1  HIS  31           1HE      HIS  31   5.503  -4.498   6.709
  245    H    GLY  32           H        GLY  32   9.817   1.300   4.639
  246    HA2  GLY  32           1HA      GLY  32  11.591   2.587   4.077
  247    HA3  GLY  32           2HA      GLY  32  12.655   1.266   4.587
  248    H    ALA  33           H        ALA  33  10.397   0.943   1.866
  249    HA   ALA  33           HA       ALA  33  12.571   0.344   0.036
  250    HB1  ALA  33           1HB      ALA  33   9.616   0.606  -0.519
  251    HB2  ALA  33           2HB      ALA  33  10.836  -0.212  -1.518
  252    HB3  ALA  33           3HB      ALA  33  10.425  -0.873   0.082
  253    H    ALA  34           H        ALA  34  13.197   2.710   0.715
  254    HA   ALA  34           HA       ALA  34  12.559   4.594  -1.529
  255    HB1  ALA  34           1HB      ALA  34  12.995   5.279   1.407
  256    HB2  ALA  34           2HB      ALA  34  12.629   6.428   0.100
  257    HB3  ALA  34           3HB      ALA  34  11.425   5.219   0.575
  258    H    GLN  35           H        GLN  35  14.946   2.682  -0.742
  259    HA   GLN  35           HA       GLN  35  17.129   4.511  -1.600
  260    HB2  GLN  35           1HB      GLN  35  17.245   2.575   0.752
  261    HB3  GLN  35           2HB      GLN  35  18.658   3.322   0.017
  262    HG2  GLN  35           1HG      GLN  35  16.403   4.895   1.345
  263    HG3  GLN  35           2HG      GLN  35  17.887   4.396   2.140
  264   HE21  GLN  35          1HE2      GLN  35  16.615   6.521  -0.462
  265   HE22  GLN  35          2HE2      GLN  35  18.035   7.574  -0.468
  Start of MODEL   11
    1    H1   GLY   1           1H       GLY   1 -27.456  -4.569   7.219
    2    H2   GLY   1           2H       GLY   1 -28.098  -4.812   5.731
    3    H3   GLY   1           3H       GLY   1 -27.047  -3.579   5.982
    4    HA2  GLY   1           1HA      GLY   1 -26.386  -6.445   6.164
    5    HA3  GLY   1           2HA      GLY   1 -25.955  -5.382   4.812
    6    H    SER   2           H        SER   2 -24.091  -6.874   6.368
    7    HA   SER   2           HA       SER   2 -22.810  -5.321   8.402
    8    HB2  SER   2           1HB      SER   2 -21.625  -7.484   6.623
    9    HB3  SER   2           2HB      SER   2 -20.971  -6.919   8.169
   10    HG   SER   2           HG       SER   2 -22.830  -7.717   9.205
   11    H    SER   3           H        SER   3 -20.923  -4.102   8.408
   12    HA   SER   3           HA       SER   3 -20.481  -2.385   6.162
   13    HB2  SER   3           1HB      SER   3 -18.823  -2.717   8.687
   14    HB3  SER   3           2HB      SER   3 -18.757  -1.350   7.559
   15    HG   SER   3           HG       SER   3 -20.106  -0.918   9.373
   16    H    GLY   4           H        GLY   4 -18.676  -2.041   4.875
   17    HA2  GLY   4           1HA      GLY   4 -16.193  -3.398   4.987
   18    HA3  GLY   4           2HA      GLY   4 -17.219  -4.248   3.826
   19    H    SER   5           H        SER   5 -14.775  -2.841   3.239
   20    HA   SER   5           HA       SER   5 -15.707  -0.718   1.354
   21    HB2  SER   5           1HB      SER   5 -13.394  -0.443   3.312
   22    HB3  SER   5           2HB      SER   5 -13.809   0.707   2.028
   23    HG   SER   5           HG       SER   5 -14.661   1.327   4.073
   24    H    SER   6           H        SER   6 -14.564  -0.483  -0.499
   25    HA   SER   6           HA       SER   6 -12.731  -2.523  -1.420
   26    HB2  SER   6           1HB      SER   6 -13.408   0.196  -2.607
   27    HB3  SER   6           2HB      SER   6 -12.562  -1.126  -3.433
   28    HG   SER   6           HG       SER   6 -14.813  -1.095  -3.916
   29    H    GLY   7           H        GLY   7 -10.520  -2.188  -2.144
   30    HA2  GLY   7           1HA      GLY   7  -8.903   0.053  -1.646
   31    HA3  GLY   7           2HA      GLY   7  -8.862  -0.912  -0.172
   32    H    TYR   8           H        TYR   8  -6.575  -0.840  -0.788
   33    HA   TYR   8           HA       TYR   8  -5.724  -3.060  -2.618
   34    HB2  TYR   8           1HB      TYR   8  -4.266  -0.441  -2.093
   35    HB3  TYR   8           2HB      TYR   8  -3.781  -1.727  -3.189
   36    HD1  TYR   8           2HD      TYR   8  -6.314   0.951  -2.624
   37    HD2  TYR   8           1HD      TYR   8  -4.622  -1.855  -5.435
   38    HE1  TYR   8           2HE      TYR   8  -7.530   2.077  -4.486
   39    HE2  TYR   8           1HE      TYR   8  -5.827  -0.719  -7.290
   40    HH   TYR   8           HH       TYR   8  -7.259   0.972  -7.885
   41    H    VAL   9           H        VAL   9  -3.749  -4.205  -1.913
   42    HA   VAL   9           HA       VAL   9  -3.356  -4.018   1.049
   43    HB   VAL   9           HB       VAL   9  -3.524  -6.568  -0.577
   44   HG11  VAL   9          1HG1      VAL   9  -3.639  -7.620   1.705
   45   HG12  VAL   9          2HG1      VAL   9  -2.090  -6.840   1.382
   46   HG13  VAL   9          3HG1      VAL   9  -3.281  -6.033   2.420
   47   HG21  VAL   9          3HG2      VAL   9  -5.635  -6.977   0.624
   48   HG22  VAL   9          1HG2      VAL   9  -5.515  -5.392   1.410
   49   HG23  VAL   9          2HG2      VAL   9  -5.770  -5.512  -0.349
   50    H    CYS  10           H        CYS  10  -1.430  -4.228   1.926
   51    HA   CYS  10           HA       CYS  10   1.007  -3.867   0.504
   52    HB2  CYS  10           1HB      CYS  10   0.495  -3.148   2.800
   53    HB3  CYS  10           2HB      CYS  10   0.465  -4.846   3.316
   54    H    ALA  11           H        ALA  11   2.169  -5.236  -0.645
   55    HA   ALA  11           HA       ALA  11   1.714  -8.100  -0.629
   56    HB1  ALA  11           1HB      ALA  11   3.499  -8.114  -2.326
   57    HB2  ALA  11           2HB      ALA  11   2.303  -6.851  -2.665
   58    HB3  ALA  11           3HB      ALA  11   3.879  -6.417  -1.965
   59    H    LEU  12           H        LEU  12   3.409  -6.178   1.542
   60    HA   LEU  12           HA       LEU  12   5.537  -8.188   2.112
   61    HB2  LEU  12           1HB      LEU  12   5.253  -5.316   3.071
   62    HB3  LEU  12           2HB      LEU  12   6.572  -6.419   3.393
   63    HG   LEU  12           HG       LEU  12   7.021  -6.459   0.880
   64   HD11  LEU  12          1HD1      LEU  12   6.355  -4.318  -0.322
   65   HD12  LEU  12          2HD1      LEU  12   5.140  -4.053   0.941
   66   HD13  LEU  12          3HD1      LEU  12   5.041  -5.462  -0.135
   67   HD21  LEU  12          3HD2      LEU  12   8.302  -5.175   2.594
   68   HD22  LEU  12          1HD2      LEU  12   7.193  -3.814   2.332
   69   HD23  LEU  12          2HD2      LEU  12   8.269  -4.349   1.023
   70    H    CYS  13           H        CYS  13   3.179  -6.158   3.818
   71    HA   CYS  13           HA       CYS  13   3.122  -8.143   6.051
   72    HB2  CYS  13           1HB      CYS  13   2.714  -6.500   7.639
   73    HB3  CYS  13           2HB      CYS  13   4.129  -6.074   6.697
   74    H    LEU  14           H        LEU  14   1.150  -7.445   3.550
   75    HA   LEU  14           HA       LEU  14  -0.982  -7.897   3.033
   76    HB2  LEU  14           1HB      LEU  14  -0.616  -9.853   5.305
   77    HB3  LEU  14           2HB      LEU  14  -2.042  -9.828   4.300
   78    HG   LEU  14           HG       LEU  14  -0.553 -11.558   3.606
   79   HD11  LEU  14          1HD1      LEU  14  -0.520 -11.160   1.228
   80   HD12  LEU  14          2HD1      LEU  14  -0.620  -9.406   1.458
   81   HD13  LEU  14          3HD1      LEU  14  -1.988 -10.445   1.915
   82   HD21  LEU  14          3HD2      LEU  14   1.588 -11.267   2.601
   83   HD22  LEU  14          1HD2      LEU  14   1.636 -10.484   4.191
   84   HD23  LEU  14          2HD2      LEU  14   1.494  -9.504   2.709
   85    H    LYS  15           H        LYS  15  -0.657  -5.615   4.691
   86    HA   LYS  15           HA       LYS  15  -3.239  -5.306   6.121
   87    HB2  LYS  15           1HB      LYS  15  -1.052  -4.530   7.044
   88    HB3  LYS  15           2HB      LYS  15  -0.920  -3.416   5.668
   89    HG2  LYS  15           1HG      LYS  15  -2.847  -2.147   6.420
   90    HG3  LYS  15           2HG      LYS  15  -3.254  -3.359   7.641
   91    HD2  LYS  15           1HD      LYS  15  -0.699  -1.691   7.666
   92    HD3  LYS  15           2HD      LYS  15  -2.184  -1.275   8.538
   93    HE2  LYS  15           1HE      LYS  15  -2.053  -3.467   9.752
   94    HE3  LYS  15           2HE      LYS  15  -0.511  -3.796   8.949
   95    HZ1  LYS  15           3HZ      LYS  15   0.396  -1.802  10.021
   96    HZ2  LYS  15           1HZ      LYS  15  -0.179  -2.830  11.149
   97    HZ3  LYS  15           2HZ      LYS  15  -1.031  -1.497  10.760
   98    H    LYS  16           H        LYS  16  -4.895  -3.965   5.453
   99    HA   LYS  16           HA       LYS  16  -4.918  -3.244   2.588
  100    HB2  LYS  16           1HB      LYS  16  -6.679  -4.694   3.705
  101    HB3  LYS  16           2HB      LYS  16  -7.280  -3.228   4.490
  102    HG2  LYS  16           1HG      LYS  16  -7.697  -2.216   2.238
  103    HG3  LYS  16           2HG      LYS  16  -7.020  -3.661   1.473
  104    HD2  LYS  16           1HD      LYS  16  -8.841  -4.981   2.746
  105    HD3  LYS  16           2HD      LYS  16  -9.573  -3.398   3.094
  106    HE2  LYS  16           1HE      LYS  16  -9.612  -2.948   0.611
  107    HE3  LYS  16           2HE      LYS  16  -8.948  -4.569   0.345
  108    HZ1  LYS  16           3HZ      LYS  16 -11.620  -3.892   1.465
  109    HZ2  LYS  16           1HZ      LYS  16 -10.991  -5.410   1.540
  110    HZ3  LYS  16           2HZ      LYS  16 -11.303  -4.717   0.099
  111    H    PHE  17           H        PHE  17  -5.507  -1.335   1.740
  112    HA   PHE  17           HA       PHE  17  -5.548   1.125   3.428
  113    HB2  PHE  17           1HB      PHE  17  -3.748   0.532   1.043
  114    HB3  PHE  17           2HB      PHE  17  -3.973   2.137   1.732
  115    HD1  PHE  17           2HD      PHE  17  -3.288   2.638   4.078
  116    HD2  PHE  17           1HD      PHE  17  -2.332  -1.118   2.178
  117    HE1  PHE  17           2HE      PHE  17  -1.732   2.091   5.936
  118    HE2  PHE  17           1HE      PHE  17  -0.768  -1.648   4.027
  119    HZ   PHE  17           HZ       PHE  17  -0.517  -0.074   5.931
  120    H    VAL  18           H        VAL  18  -6.518   2.910   2.572
  121    HA   VAL  18           HA       VAL  18  -8.869   2.493   1.046
  122    HB   VAL  18           HB       VAL  18  -8.631   4.108   2.851
  123   HG11  VAL  18          1HG1      VAL  18  -7.524   6.265   2.586
  124   HG12  VAL  18          2HG1      VAL  18  -6.342   4.969   2.415
  125   HG13  VAL  18          3HG1      VAL  18  -6.946   5.820   0.972
  126   HG21  VAL  18          3HG2      VAL  18 -10.416   4.474   1.152
  127   HG22  VAL  18          1HG2      VAL  18  -9.872   5.958   1.961
  128   HG23  VAL  18          2HG2      VAL  18  -9.334   5.616   0.311
  129    H    SER  19           H        SER  19  -5.702   3.483  -0.047
  130    HA   SER  19           HA       SER  19  -6.611   3.667  -2.859
  131    HB2  SER  19           1HB      SER  19  -6.836   5.952  -2.175
  132    HB3  SER  19           2HB      SER  19  -5.292   5.922  -1.312
  133    HG   SER  19           HG       SER  19  -5.339   6.909  -3.497
  134    H    SER  20           H        SER  20  -4.915   3.373  -4.374
  135    HA   SER  20           HA       SER  20  -2.750   1.703  -3.514
  136    HB2  SER  20           1HB      SER  20  -2.088   1.632  -5.803
  137    HB3  SER  20           2HB      SER  20  -3.853   1.554  -5.722
  138    HG   SER  20           HG       SER  20  -3.537   3.071  -7.230
  139    H    ILE  21           H        ILE  21  -3.056   5.184  -3.850
  140    HA   ILE  21           HA       ILE  21  -0.207   5.816  -3.783
  141    HB   ILE  21           HB       ILE  21  -2.673   7.421  -3.001
  142   HG12  ILE  21          1HG1      ILE  21  -2.701   6.873  -5.377
  143   HG13  ILE  21          2HG1      ILE  21  -2.422   8.583  -5.121
  144   HG21  ILE  21          1HG2      ILE  21  -1.138   9.419  -3.256
  145   HG22  ILE  21          2HG2      ILE  21  -0.852   8.421  -1.832
  146   HG23  ILE  21          3HG2      ILE  21   0.230   8.280  -3.232
  147   HD11  ILE  21          3HD1      ILE  21  -0.293   6.540  -5.899
  148   HD12  ILE  21          1HD1      ILE  21  -1.040   7.750  -6.951
  149   HD13  ILE  21          2HD1      ILE  21   0.002   8.272  -5.618
  150    H    ARG  22           H        ARG  22  -2.689   5.274  -1.297
  151    HA   ARG  22           HA       ARG  22  -0.881   5.929   0.944
  152    HB2  ARG  22           1HB      ARG  22  -3.594   4.560   0.929
  153    HB3  ARG  22           2HB      ARG  22  -2.760   5.192   2.345
  154    HG2  ARG  22           1HG      ARG  22  -3.721   6.918  -0.001
  155    HG3  ARG  22           2HG      ARG  22  -4.619   6.622   1.472
  156    HD2  ARG  22           1HD      ARG  22  -3.664   8.747   1.670
  157    HD3  ARG  22           2HD      ARG  22  -2.819   7.683   2.801
  158    HE   ARG  22           HE       ARG  22  -1.270   7.727   0.444
  159   HH11  ARG  22          2HH1      ARG  22  -2.296  10.152   2.747
  160   HH12  ARG  22          1HH1      ARG  22  -0.814  11.056   2.602
  161   HH21  ARG  22          2HH2      ARG  22   0.721   8.848   0.469
  162   HH22  ARG  22          1HH2      ARG  22   0.786  10.370   1.295
  163    H    LEU  23           H        LEU  23  -1.832   2.993  -0.759
  164    HA   LEU  23           HA       LEU  23  -0.373   1.162   0.911
  165    HB2  LEU  23           1HB      LEU  23  -1.987   0.287  -0.598
  166    HB3  LEU  23           2HB      LEU  23  -1.323   1.184  -1.963
  167    HG   LEU  23           HG       LEU  23   0.644  -0.208  -2.052
  168   HD11  LEU  23          1HD1      LEU  23   0.889  -2.208  -0.706
  169   HD12  LEU  23          2HD1      LEU  23  -0.568  -1.802   0.245
  170   HD13  LEU  23          3HD1      LEU  23   0.895  -0.815   0.365
  171   HD21  LEU  23          3HD2      LEU  23  -1.403  -0.933  -3.248
  172   HD22  LEU  23          1HD2      LEU  23  -1.860  -1.914  -1.829
  173   HD23  LEU  23          2HD2      LEU  23  -0.397  -2.306  -2.748
  174    H    ARG  24           H        ARG  24   0.609   2.976  -2.103
  175    HA   ARG  24           HA       ARG  24   3.319   2.123  -2.155
  176    HB2  ARG  24           1HB      ARG  24   1.993   4.754  -2.909
  177    HB3  ARG  24           2HB      ARG  24   3.721   4.523  -3.099
  178    HG2  ARG  24           1HG      ARG  24   3.410   2.656  -4.645
  179    HG3  ARG  24           2HG      ARG  24   1.659   2.717  -4.430
  180    HD2  ARG  24           1HD      ARG  24   1.757   5.147  -5.253
  181    HD3  ARG  24           2HD      ARG  24   3.452   4.874  -5.630
  182    HE   ARG  24           HE       ARG  24   2.853   3.664  -7.515
  183   HH11  ARG  24          1HH1      ARG  24  -0.003   3.840  -5.528
  184   HH12  ARG  24          2HH1      ARG  24  -1.100   3.616  -6.864
  185   HH21  ARG  24          2HH2      ARG  24   1.433   3.189  -9.180
  186   HH22  ARG  24          1HH2      ARG  24  -0.278   3.132  -8.867
  187    H    SER  25           H        SER  25   1.945   4.957  -0.566
  188    HA   SER  25           HA       SER  25   4.331   5.966   0.586
  189    HB2  SER  25           1HB      SER  25   1.413   6.212   1.415
  190    HB3  SER  25           2HB      SER  25   2.720   7.246   2.046
  191    HG   SER  25           HG       SER  25   1.804   7.021  -0.650
  192    H    HIS  26           H        HIS  26   1.886   3.737   2.027
  193    HA   HIS  26           HA       HIS  26   2.946   3.451   4.621
  194    HB2  HIS  26           1HB      HIS  26   0.896   2.376   4.186
  195    HB3  HIS  26           2HB      HIS  26   1.472   1.614   2.718
  196    HD1  HIS  26           1HD      HIS  26   1.815   1.154   6.526
  197    HD2  HIS  26           2HD      HIS  26   2.621  -0.761   2.868
  198    HE1  HIS  26           1HE      HIS  26   2.426  -1.237   7.117
  199    H    ILE  27           H        ILE  27   3.922   1.699   1.629
  200    HA   ILE  27           HA       ILE  27   5.819   0.013   2.914
  201    HB   ILE  27           HB       ILE  27   5.861   1.001   0.042
  202   HG12  ILE  27          1HG1      ILE  27   4.701  -1.644   1.040
  203   HG13  ILE  27          2HG1      ILE  27   3.707  -0.222   0.808
  204   HG21  ILE  27          1HG2      ILE  27   7.224  -0.948  -0.438
  205   HG22  ILE  27          2HG2      ILE  27   7.991  -0.057   0.870
  206   HG23  ILE  27          3HG2      ILE  27   7.059  -1.531   1.231
  207   HD11  ILE  27          3HD1      ILE  27   3.522  -1.541  -1.174
  208   HD12  ILE  27          1HD1      ILE  27   4.465  -0.087  -1.577
  209   HD13  ILE  27          2HD1      ILE  27   5.281  -1.652  -1.353
  210    H    ARG  28           H        ARG  28   6.182   3.303   1.588
  211    HA   ARG  28           HA       ARG  28   9.065   3.381   2.006
  212    HB2  ARG  28           1HB      ARG  28   7.330   5.840   2.023
  213    HB3  ARG  28           2HB      ARG  28   8.982   5.633   1.444
  214    HG2  ARG  28           1HG      ARG  28   6.407   4.729   0.121
  215    HG3  ARG  28           2HG      ARG  28   7.494   5.998  -0.443
  216    HD2  ARG  28           1HD      ARG  28   9.220   4.289  -0.876
  217    HD3  ARG  28           2HD      ARG  28   8.098   3.019  -0.305
  218    HE   ARG  28           HE       ARG  28   6.892   4.544  -2.410
  219   HH11  ARG  28          2HH1      ARG  28   9.408   2.159  -2.038
  220   HH12  ARG  28          1HH1      ARG  28   8.953   1.305  -3.496
  221   HH21  ARG  28          2HH2      ARG  28   6.566   3.606  -4.388
  222   HH22  ARG  28          1HH2      ARG  28   7.381   2.126  -4.806
  223    H    GLU  29           H        GLU  29   6.271   4.392   3.939
  224    HA   GLU  29           HA       GLU  29   7.716   5.720   6.019
  225    HB2  GLU  29           1HB      GLU  29   4.944   4.479   5.873
  226    HB3  GLU  29           2HB      GLU  29   5.553   5.261   7.335
  227    HG2  GLU  29           1HG      GLU  29   5.921   7.355   6.141
  228    HG3  GLU  29           2HG      GLU  29   5.388   6.635   4.626
  229    H    VAL  30           H        VAL  30   6.621   2.293   5.818
  230    HA   VAL  30           HA       VAL  30   8.089   1.813   8.388
  231    HB   VAL  30           HB       VAL  30   6.558   0.276   9.035
  232   HG11  VAL  30          1HG1      VAL  30   5.822   2.658   9.244
  233   HG12  VAL  30          2HG1      VAL  30   4.878   2.466   7.751
  234   HG13  VAL  30          3HG1      VAL  30   4.465   1.514   9.192
  235   HG21  VAL  30          3HG2      VAL  30   5.139   0.354   6.358
  236   HG22  VAL  30          1HG2      VAL  30   6.061  -1.007   7.033
  237   HG23  VAL  30          2HG2      VAL  30   4.579  -0.485   7.820
  238    H    HIS  31           H        HIS  31   7.834   0.575   5.117
  239    HA   HIS  31           HA       HIS  31   9.608  -1.720   5.890
  240    HB2  HIS  31           1HB      HIS  31   8.108  -1.299   3.302
  241    HB3  HIS  31           2HB      HIS  31   9.055  -2.703   3.759
  242    HD1  HIS  31           1HD      HIS  31   7.948  -3.720   6.378
  243    HD2  HIS  31           2HD      HIS  31   5.614  -1.963   3.370
  244    HE1  HIS  31           1HE      HIS  31   5.588  -4.593   6.724
  245    H    GLY  32           H        GLY  32   9.713   1.399   4.552
  246    HA2  GLY  32           1HA      GLY  32  11.464   2.697   3.904
  247    HA3  GLY  32           2HA      GLY  32  12.543   1.444   4.528
  248    H    ALA  33           H        ALA  33  10.380   0.750   1.808
  249    HA   ALA  33           HA       ALA  33  12.603   0.031   0.104
  250    HB1  ALA  33           1HB      ALA  33  10.415  -1.135   0.097
  251    HB2  ALA  33           2HB      ALA  33   9.653   0.333  -0.561
  252    HB3  ALA  33           3HB      ALA  33  10.867  -0.539  -1.512
  253    H    ALA  34           H        ALA  34  13.911   1.651  -0.540
  254    HA   ALA  34           HA       ALA  34  13.075   4.336  -0.958
  255    HB1  ALA  34           1HB      ALA  34  15.744   2.968  -1.452
  256    HB2  ALA  34           2HB      ALA  34  15.457   4.721  -1.390
  257    HB3  ALA  34           3HB      ALA  34  15.202   3.732   0.062
  258    H    GLN  35           H        GLN  35  11.647   4.402  -2.541
  259    HA   GLN  35           HA       GLN  35  12.022   3.793  -5.328
  260    HB2  GLN  35           1HB      GLN  35  10.145   5.289  -5.741
  261    HB3  GLN  35           2HB      GLN  35   9.819   4.177  -4.420
  262    HG2  GLN  35           1HG      GLN  35  10.283   6.012  -2.776
  263    HG3  GLN  35           2HG      GLN  35  10.601   7.113  -4.117
  264   HE21  GLN  35          1HE2      GLN  35   8.820   8.275  -2.733
  265   HE22  GLN  35          2HE2      GLN  35   7.173   7.955  -3.260
  Start of MODEL   12
    1    H1   GLY   1           1H       GLY   1 -15.189 -10.281  -5.634
    2    H2   GLY   1           2H       GLY   1 -15.534  -9.006  -6.605
    3    H3   GLY   1           3H       GLY   1 -16.480 -10.343  -6.641
    4    HA2  GLY   1           1HA      GLY   1 -17.223  -9.967  -4.387
    5    HA3  GLY   1           2HA      GLY   1 -16.184  -8.530  -4.331
    6    H    SER   2           H        SER   2 -19.160  -8.863  -4.068
    7    HA   SER   2           HA       SER   2 -20.363  -7.701  -6.446
    8    HB2  SER   2           1HB      SER   2 -21.532  -8.072  -3.667
    9    HB3  SER   2           2HB      SER   2 -22.433  -7.795  -5.167
   10    HG   SER   2           HG       SER   2 -21.696  -9.800  -5.939
   11    H    SER   3           H        SER   3 -18.694  -6.214  -3.862
   12    HA   SER   3           HA       SER   3 -20.232  -3.761  -3.666
   13    HB2  SER   3           1HB      SER   3 -18.226  -2.968  -2.398
   14    HB3  SER   3           2HB      SER   3 -18.958  -4.454  -1.773
   15    HG   SER   3           HG       SER   3 -16.629  -4.520  -1.939
   16    H    GLY   4           H        GLY   4 -19.550  -1.655  -4.297
   17    HA2  GLY   4           1HA      GLY   4 -18.674  -1.477  -7.037
   18    HA3  GLY   4           2HA      GLY   4 -19.062  -0.140  -5.954
   19    H    SER   5           H        SER   5 -16.867  -1.313  -4.059
   20    HA   SER   5           HA       SER   5 -14.359  -0.866  -5.496
   21    HB2  SER   5           1HB      SER   5 -15.203   1.456  -4.995
   22    HB3  SER   5           2HB      SER   5 -15.148   1.056  -3.268
   23    HG   SER   5           HG       SER   5 -13.235   2.119  -4.045
   24    H    SER   6           H        SER   6 -12.513  -1.388  -4.244
   25    HA   SER   6           HA       SER   6 -12.766  -2.324  -1.483
   26    HB2  SER   6           1HB      SER   6 -13.345  -4.338  -2.848
   27    HB3  SER   6           2HB      SER   6 -11.750  -4.243  -3.613
   28    HG   SER   6           HG       SER   6 -11.927  -5.684  -1.776
   29    H    GLY   7           H        GLY   7 -10.804  -2.311  -0.394
   30    HA2  GLY   7           1HA      GLY   7  -8.873  -0.416  -1.346
   31    HA3  GLY   7           2HA      GLY   7  -8.795  -1.307   0.163
   32    H    TYR   8           H        TYR   8  -6.544  -0.697  -1.094
   33    HA   TYR   8           HA       TYR   8  -5.533  -2.993  -2.709
   34    HB2  TYR   8           1HB      TYR   8  -4.279  -0.309  -2.018
   35    HB3  TYR   8           2HB      TYR   8  -3.560  -1.541  -3.039
   36    HD1  TYR   8           2HD      TYR   8  -6.410   0.870  -2.799
   37    HD2  TYR   8           1HD      TYR   8  -4.109  -1.738  -5.357
   38    HE1  TYR   8           2HE      TYR   8  -7.485   1.886  -4.805
   39    HE2  TYR   8           1HE      TYR   8  -5.184  -0.721  -7.356
   40    HH   TYR   8           HH       TYR   8  -6.686   0.822  -8.136
   41    H    VAL   9           H        VAL   9  -3.785  -4.289  -1.965
   42    HA   VAL   9           HA       VAL   9  -3.363  -4.121   0.989
   43    HB   VAL   9           HB       VAL   9  -3.518  -6.658  -0.647
   44   HG11  VAL   9          1HG1      VAL   9  -3.748  -7.702   1.622
   45   HG12  VAL   9          2HG1      VAL   9  -2.190  -6.903   1.418
   46   HG13  VAL   9          3HG1      VAL   9  -3.464  -6.115   2.367
   47   HG21  VAL   9          3HG2      VAL   9  -5.739  -5.624  -0.612
   48   HG22  VAL   9          1HG2      VAL   9  -5.711  -6.990   0.504
   49   HG23  VAL   9          2HG2      VAL   9  -5.601  -5.332   1.135
   50    H    CYS  10           H        CYS  10  -1.444  -4.306   1.872
   51    HA   CYS  10           HA       CYS  10   0.968  -3.970   0.389
   52    HB2  CYS  10           1HB      CYS  10   0.423  -3.149   2.678
   53    HB3  CYS  10           2HB      CYS  10   0.471  -4.818   3.268
   54    H    ALA  11           H        ALA  11   2.163  -5.383  -0.673
   55    HA   ALA  11           HA       ALA  11   1.727  -8.243  -0.511
   56    HB1  ALA  11           1HB      ALA  11   3.900  -6.623  -1.909
   57    HB2  ALA  11           2HB      ALA  11   3.527  -8.337  -2.190
   58    HB3  ALA  11           3HB      ALA  11   2.332  -7.095  -2.602
   59    H    LEU  12           H        LEU  12   3.407  -6.196   1.555
   60    HA   LEU  12           HA       LEU  12   5.546  -8.144   2.251
   61    HB2  LEU  12           1HB      LEU  12   5.179  -5.242   3.088
   62    HB3  LEU  12           2HB      LEU  12   6.518  -6.298   3.479
   63    HG   LEU  12           HG       LEU  12   7.020  -6.439   0.985
   64   HD11  LEU  12          1HD1      LEU  12   5.071  -4.087   0.881
   65   HD12  LEU  12          2HD1      LEU  12   5.037  -5.554  -0.122
   66   HD13  LEU  12          3HD1      LEU  12   6.325  -4.385  -0.340
   67   HD21  LEU  12          3HD2      LEU  12   8.212  -4.303   1.044
   68   HD22  LEU  12          1HD2      LEU  12   8.218  -5.029   2.664
   69   HD23  LEU  12          2HD2      LEU  12   7.085  -3.714   2.286
   70    H    CYS  13           H        CYS  13   3.121  -6.105   3.848
   71    HA   CYS  13           HA       CYS  13   3.051  -8.025   6.138
   72    HB2  CYS  13           1HB      CYS  13   2.558  -6.324   7.656
   73    HB3  CYS  13           2HB      CYS  13   4.001  -5.922   6.743
   74    H    LEU  14           H        LEU  14   1.111  -7.448   3.580
   75    HA   LEU  14           HA       LEU  14  -0.998  -7.981   3.040
   76    HB2  LEU  14           1HB      LEU  14  -0.648  -9.836   5.397
   77    HB3  LEU  14           2HB      LEU  14  -2.033  -9.893   4.335
   78    HG   LEU  14           HG       LEU  14  -0.486 -11.606   3.766
   79   HD11  LEU  14          1HD1      LEU  14  -1.847 -10.574   1.965
   80   HD12  LEU  14          2HD1      LEU  14  -0.336 -11.288   1.380
   81   HD13  LEU  14          3HD1      LEU  14  -0.472  -9.529   1.544
   82   HD21  LEU  14          3HD2      LEU  14   1.699 -11.319   2.866
   83   HD22  LEU  14          1HD2      LEU  14   1.654 -10.477   4.424
   84   HD23  LEU  14          2HD2      LEU  14   1.576  -9.555   2.902
   85    H    LYS  15           H        LYS  15  -0.746  -5.642   4.691
   86    HA   LYS  15           HA       LYS  15  -3.388  -5.360   6.010
   87    HB2  LYS  15           1HB      LYS  15  -1.291  -4.490   7.024
   88    HB3  LYS  15           2HB      LYS  15  -1.076  -3.451   5.602
   89    HG2  LYS  15           1HG      LYS  15  -3.049  -2.153   6.163
   90    HG3  LYS  15           2HG      LYS  15  -3.529  -3.316   7.414
   91    HD2  LYS  15           1HD      LYS  15  -1.593  -2.725   8.780
   92    HD3  LYS  15           2HD      LYS  15  -0.983  -1.638   7.515
   93    HE2  LYS  15           1HE      LYS  15  -3.017  -0.242   7.707
   94    HE3  LYS  15           2HE      LYS  15  -3.680  -1.345   8.919
   95    HZ1  LYS  15           3HZ      LYS  15  -2.636   0.579   9.963
   96    HZ2  LYS  15           1HZ      LYS  15  -1.198   0.257   9.265
   97    HZ3  LYS  15           2HZ      LYS  15  -1.818  -0.767  10.379
   98    H    LYS  16           H        LYS  16  -5.067  -4.145   5.226
   99    HA   LYS  16           HA       LYS  16  -4.957  -3.286   2.401
  100    HB2  LYS  16           1HB      LYS  16  -6.714  -4.847   3.136
  101    HB3  LYS  16           2HB      LYS  16  -7.341  -3.631   4.254
  102    HG2  LYS  16           1HG      LYS  16  -7.951  -2.156   2.450
  103    HG3  LYS  16           2HG      LYS  16  -7.102  -3.137   1.252
  104    HD2  LYS  16           1HD      LYS  16  -9.458  -4.204   2.860
  105    HD3  LYS  16           2HD      LYS  16  -9.659  -3.296   1.358
  106    HE2  LYS  16           1HE      LYS  16  -8.123  -4.959   0.214
  107    HE3  LYS  16           2HE      LYS  16  -8.170  -5.932   1.691
  108    HZ1  LYS  16           3HZ      LYS  16  -9.835  -6.696   0.126
  109    HZ2  LYS  16           1HZ      LYS  16 -10.512  -5.220  -0.011
  110    HZ3  LYS  16           2HZ      LYS  16 -10.619  -6.048   1.401
  111    H    PHE  17           H        PHE  17  -5.427  -1.333   1.621
  112    HA   PHE  17           HA       PHE  17  -5.734   1.018   3.439
  113    HB2  PHE  17           1HB      PHE  17  -3.857   0.674   1.068
  114    HB3  PHE  17           2HB      PHE  17  -4.153   2.198   1.888
  115    HD1  PHE  17           1HD      PHE  17  -2.531  -1.112   2.167
  116    HD2  PHE  17           2HD      PHE  17  -3.323   2.636   4.152
  117    HE1  PHE  17           1HE      PHE  17  -0.862  -1.678   3.911
  118    HE2  PHE  17           2HE      PHE  17  -1.656   2.059   5.902
  119    HZ   PHE  17           HZ       PHE  17  -0.456  -0.116   5.795
  120    H    VAL  18           H        VAL  18  -6.713   2.841   2.554
  121    HA   VAL  18           HA       VAL  18  -8.961   2.373   0.890
  122    HB   VAL  18           HB       VAL  18  -8.851   3.978   2.729
  123   HG11  VAL  18          1HG1      VAL  18  -7.838   6.184   2.505
  124   HG12  VAL  18          2HG1      VAL  18  -6.589   4.950   2.341
  125   HG13  VAL  18          3HG1      VAL  18  -7.217   5.782   0.898
  126   HG21  VAL  18          3HG2      VAL  18 -10.601   4.248   0.978
  127   HG22  VAL  18          1HG2      VAL  18 -10.162   5.758   1.801
  128   HG23  VAL  18          2HG2      VAL  18  -9.560   5.446   0.168
  129    H    SER  19           H        SER  19  -5.751   3.323  -0.058
  130    HA   SER  19           HA       SER  19  -6.539   3.498  -2.898
  131    HB2  SER  19           1HB      SER  19  -6.810   5.791  -2.251
  132    HB3  SER  19           2HB      SER  19  -5.293   5.786  -1.344
  133    HG   SER  19           HG       SER  19  -5.288   6.754  -3.534
  134    H    SER  20           H        SER  20  -4.778   3.274  -4.349
  135    HA   SER  20           HA       SER  20  -2.588   1.606  -3.540
  136    HB2  SER  20           1HB      SER  20  -1.761   2.030  -5.840
  137    HB3  SER  20           2HB      SER  20  -3.458   1.526  -5.793
  138    HG   SER  20           HG       SER  20  -3.152   3.310  -7.197
  139    H    ILE  21           H        ILE  21  -2.940   5.129  -3.902
  140    HA   ILE  21           HA       ILE  21  -0.129   5.768  -3.640
  141    HB   ILE  21           HB       ILE  21  -2.573   7.465  -3.004
  142   HG12  ILE  21          1HG1      ILE  21  -2.776   6.768  -5.299
  143   HG13  ILE  21          2HG1      ILE  21  -2.290   8.448  -5.249
  144   HG21  ILE  21          1HG2      ILE  21   0.339   8.218  -3.480
  145   HG22  ILE  21          2HG2      ILE  21  -1.008   9.381  -3.468
  146   HG23  ILE  21          3HG2      ILE  21  -0.623   8.468  -2.008
  147   HD11  ILE  21          3HD1      ILE  21   0.067   7.772  -5.791
  148   HD12  ILE  21          1HD1      ILE  21  -0.478   6.078  -5.895
  149   HD13  ILE  21          2HD1      ILE  21  -1.105   7.284  -7.027
  150    H    ARG  22           H        ARG  22  -2.763   5.415  -1.284
  151    HA   ARG  22           HA       ARG  22  -1.234   6.181   1.068
  152    HB2  ARG  22           1HB      ARG  22  -3.723   4.446   0.761
  153    HB3  ARG  22           2HB      ARG  22  -3.096   5.020   2.296
  154    HG2  ARG  22           1HG      ARG  22  -3.928   6.910   0.045
  155    HG3  ARG  22           2HG      ARG  22  -5.049   6.321   1.250
  156    HD2  ARG  22           1HD      ARG  22  -2.552   7.899   1.876
  157    HD3  ARG  22           2HD      ARG  22  -4.178   8.579   1.702
  158    HE   ARG  22           HE       ARG  22  -4.375   6.528   3.624
  159   HH11  ARG  22          2HH1      ARG  22  -2.791   9.645   3.415
  160   HH12  ARG  22          1HH1      ARG  22  -2.844   9.891   5.139
  161   HH21  ARG  22          2HH2      ARG  22  -4.405   6.902   5.818
  162   HH22  ARG  22          1HH2      ARG  22  -3.739   8.376   6.455
  163    H    LEU  23           H        LEU  23  -1.837   3.061  -0.548
  164    HA   LEU  23           HA       LEU  23  -0.349   1.451   1.295
  165    HB2  LEU  23           1HB      LEU  23  -1.922   0.403  -0.160
  166    HB3  LEU  23           2HB      LEU  23  -1.231   1.159  -1.594
  167    HG   LEU  23           HG       LEU  23   0.795  -0.180  -1.397
  168   HD11  LEU  23          1HD1      LEU  23  -0.552  -1.700   0.871
  169   HD12  LEU  23          2HD1      LEU  23   0.726  -0.506   1.141
  170   HD13  LEU  23          3HD1      LEU  23   1.082  -1.929   0.193
  171   HD21  LEU  23          3HD2      LEU  23  -1.082  -1.043  -2.713
  172   HD22  LEU  23          1HD2      LEU  23  -1.738  -1.850  -1.269
  173   HD23  LEU  23          2HD2      LEU  23  -0.180  -2.365  -1.951
  174    H    ARG  24           H        ARG  24   0.620   3.022  -1.831
  175    HA   ARG  24           HA       ARG  24   3.321   2.134  -1.819
  176    HB2  ARG  24           1HB      ARG  24   1.958   4.605  -2.934
  177    HB3  ARG  24           2HB      ARG  24   3.686   4.324  -3.168
  178    HG2  ARG  24           1HG      ARG  24   3.339   2.322  -4.419
  179    HG3  ARG  24           2HG      ARG  24   1.635   2.221  -3.964
  180    HD2  ARG  24           1HD      ARG  24   1.193   4.349  -5.178
  181    HD3  ARG  24           2HD      ARG  24   2.894   4.388  -5.694
  182    HE   ARG  24           HE       ARG  24   1.783   1.872  -6.433
  183   HH11  ARG  24          2HH1      ARG  24   1.473   5.220  -7.418
  184   HH12  ARG  24          1HH1      ARG  24   0.942   4.795  -9.022
  185   HH21  ARG  24          2HH2      ARG  24   1.121   1.400  -8.503
  186   HH22  ARG  24          1HH2      ARG  24   0.758   2.687  -9.615
  187    H    SER  25           H        SER  25   1.991   5.168  -0.501
  188    HA   SER  25           HA       SER  25   4.367   6.167   0.669
  189    HB2  SER  25           1HB      SER  25   2.234   7.416   0.370
  190    HB3  SER  25           2HB      SER  25   1.505   6.464   1.677
  191    HG   SER  25           HG       SER  25   2.364   8.510   2.375
  192    H    HIS  26           H        HIS  26   1.958   3.891   2.080
  193    HA   HIS  26           HA       HIS  26   3.131   3.628   4.670
  194    HB2  HIS  26           1HB      HIS  26   1.036   2.659   4.505
  195    HB3  HIS  26           2HB      HIS  26   1.346   1.911   2.960
  196    HD1  HIS  26           1HD      HIS  26   1.878   1.239   6.675
  197    HD2  HIS  26           2HD      HIS  26   2.569  -0.508   2.912
  198    HE1  HIS  26           1HE      HIS  26   2.407  -1.196   7.132
  199    H    ILE  27           H        ILE  27   3.862   1.813   1.639
  200    HA   ILE  27           HA       ILE  27   5.755   0.074   2.872
  201    HB   ILE  27           HB       ILE  27   5.642   0.971  -0.033
  202   HG12  ILE  27          1HG1      ILE  27   4.561  -1.612   1.196
  203   HG13  ILE  27          2HG1      ILE  27   3.561  -0.208   0.883
  204   HG21  ILE  27          1HG2      ILE  27   6.975  -1.040  -0.511
  205   HG22  ILE  27          2HG2      ILE  27   7.845  -0.022   0.624
  206   HG23  ILE  27          3HG2      ILE  27   6.981  -1.469   1.209
  207   HD11  ILE  27          3HD1      ILE  27   4.147  -0.318  -1.542
  208   HD12  ILE  27          1HD1      ILE  27   5.007  -1.847  -1.222
  209   HD13  ILE  27          2HD1      ILE  27   3.267  -1.736  -0.934
  210    H    ARG  28           H        ARG  28   6.216   3.312   1.416
  211    HA   ARG  28           HA       ARG  28   9.107   3.242   1.808
  212    HB2  ARG  28           1HB      ARG  28   7.501   5.786   1.776
  213    HB3  ARG  28           2HB      ARG  28   9.166   5.511   1.274
  214    HG2  ARG  28           1HG      ARG  28   6.615   4.786  -0.167
  215    HG3  ARG  28           2HG      ARG  28   7.824   5.937  -0.673
  216    HD2  ARG  28           1HD      ARG  28   8.120   2.902  -0.588
  217    HD3  ARG  28           2HD      ARG  28   7.821   3.864  -2.023
  218    HE   ARG  28           HE       ARG  28  10.374   3.350  -0.798
  219   HH11  ARG  28          2HH1      ARG  28   8.789   5.882  -2.659
  220   HH12  ARG  28          1HH1      ARG  28  10.314   6.471  -3.262
  221   HH21  ARG  28          2HH2      ARG  28  12.169   4.088  -1.606
  222   HH22  ARG  28          1HH2      ARG  28  12.214   5.493  -2.658
  223    H    GLU  29           H        GLU  29   6.417   4.448   3.791
  224    HA   GLU  29           HA       GLU  29   8.060   5.719   5.769
  225    HB2  GLU  29           1HB      GLU  29   5.168   4.797   5.728
  226    HB3  GLU  29           2HB      GLU  29   5.875   5.571   7.141
  227    HG2  GLU  29           1HG      GLU  29   5.872   6.866   4.383
  228    HG3  GLU  29           2HG      GLU  29   4.599   7.093   5.577
  229    H    VAL  30           H        VAL  30   6.640   2.404   5.731
  230    HA   VAL  30           HA       VAL  30   8.083   1.918   8.313
  231    HB   VAL  30           HB       VAL  30   6.543   0.423   8.971
  232   HG11  VAL  30          1HG1      VAL  30   4.440   1.647   9.068
  233   HG12  VAL  30          2HG1      VAL  30   5.791   2.798   9.115
  234   HG13  VAL  30          3HG1      VAL  30   4.867   2.567   7.611
  235   HG21  VAL  30          3HG2      VAL  30   5.154   0.401   6.280
  236   HG22  VAL  30          1HG2      VAL  30   6.071  -0.929   7.022
  237   HG23  VAL  30          2HG2      VAL  30   4.579  -0.383   7.768
  238    H    HIS  31           H        HIS  31   7.819   0.599   5.054
  239    HA   HIS  31           HA       HIS  31   9.528  -1.716   5.907
  240    HB2  HIS  31           1HB      HIS  31   8.082  -1.312   3.285
  241    HB3  HIS  31           2HB      HIS  31   8.984  -2.729   3.788
  242    HD1  HIS  31           1HD      HIS  31   7.821  -3.641   6.425
  243    HD2  HIS  31           2HD      HIS  31   5.570  -1.910   3.340
  244    HE1  HIS  31           1HE      HIS  31   5.436  -4.426   6.777
  245    H    GLY  32           H        GLY  32   9.727   1.350   4.462
  246    HA2  GLY  32           1HA      GLY  32  11.453   2.565   3.608
  247    HA3  GLY  32           2HA      GLY  32  12.525   1.443   4.460
  248    H    ALA  33           H        ALA  33  10.425   0.574   1.700
  249    HA   ALA  33           HA       ALA  33  12.418  -0.755   0.275
  250    HB1  ALA  33           1HB      ALA  33  10.008  -1.171   0.027
  251    HB2  ALA  33           2HB      ALA  33   9.796   0.432  -0.727
  252    HB3  ALA  33           3HB      ALA  33  10.757  -0.819  -1.540
  253    H    ALA  34           H        ALA  34  13.894  -0.190  -1.015
  254    HA   ALA  34           HA       ALA  34  13.884   2.132  -2.778
  255    HB1  ALA  34           1HB      ALA  34  16.053   3.012  -1.949
  256    HB2  ALA  34           2HB      ALA  34  14.790   3.135  -0.709
  257    HB3  ALA  34           3HB      ALA  34  16.013   1.851  -0.603
  258    H    GLN  35           H        GLN  35  14.700   1.504  -4.627
  259    HA   GLN  35           HA       GLN  35  16.075  -1.038  -5.018
  260    HB2  GLN  35           1HB      GLN  35  14.328  -0.310  -6.559
  261    HB3  GLN  35           2HB      GLN  35  15.218   1.167  -6.929
  262    HG2  GLN  35           1HG      GLN  35  15.434  -0.412  -8.745
  263    HG3  GLN  35           2HG      GLN  35  17.004  -0.136  -8.009
  264   HE21  GLN  35          1HE2      GLN  35  17.792  -1.878  -6.453
  265   HE22  GLN  35          2HE2      GLN  35  17.309  -3.547  -6.817
  Start of MODEL   13
    1    H1   GLY   1           1H       GLY   1 -22.189 -10.811 -10.413
    2    H2   GLY   1           2H       GLY   1 -23.261  -9.575 -10.500
    3    H3   GLY   1           3H       GLY   1 -22.515  -9.913  -9.081
    4    HA2  GLY   1           1HA      GLY   1 -20.374  -9.294  -9.978
    5    HA3  GLY   1           2HA      GLY   1 -21.172  -8.942 -11.523
    6    H    SER   2           H        SER   2 -19.628  -7.195  -9.664
    7    HA   SER   2           HA       SER   2 -21.621  -5.005  -9.253
    8    HB2  SER   2           1HB      SER   2 -19.476  -5.854  -7.270
    9    HB3  SER   2           2HB      SER   2 -20.531  -4.437  -7.123
   10    HG   SER   2           HG       SER   2 -21.316  -6.240  -5.929
   11    H    SER   3           H        SER   3 -20.770  -2.884  -9.268
   12    HA   SER   3           HA       SER   3 -18.458  -2.473 -11.015
   13    HB2  SER   3           1HB      SER   3 -19.160  -0.099 -10.906
   14    HB3  SER   3           2HB      SER   3 -20.449  -1.194 -11.424
   15    HG   SER   3           HG       SER   3 -21.174   0.325  -9.853
   16    H    GLY   4           H        GLY   4 -16.841  -0.787 -10.531
   17    HA2  GLY   4           1HA      GLY   4 -15.197   0.219  -9.245
   18    HA3  GLY   4           2HA      GLY   4 -16.187  -0.039  -7.813
   19    H    SER   5           H        SER   5 -14.213  -0.488  -6.699
   20    HA   SER   5           HA       SER   5 -13.360  -3.323  -6.823
   21    HB2  SER   5           1HB      SER   5 -11.000  -2.747  -6.690
   22    HB3  SER   5           2HB      SER   5 -11.711  -2.089  -8.170
   23    HG   SER   5           HG       SER   5 -10.401  -0.537  -7.134
   24    H    SER   6           H        SER   6 -12.122  -3.995  -4.892
   25    HA   SER   6           HA       SER   6 -13.494  -3.041  -2.498
   26    HB2  SER   6           1HB      SER   6 -12.474  -5.048  -1.469
   27    HB3  SER   6           2HB      SER   6 -13.391  -5.400  -2.942
   28    HG   SER   6           HG       SER   6 -11.356  -6.472  -2.919
   29    H    GLY   7           H        GLY   7 -10.480  -2.221  -3.858
   30    HA2  GLY   7           1HA      GLY   7  -9.206  -0.419  -2.692
   31    HA3  GLY   7           2HA      GLY   7  -9.353  -1.351  -1.211
   32    H    TYR   8           H        TYR   8  -7.045  -1.185  -1.088
   33    HA   TYR   8           HA       TYR   8  -5.493  -3.041  -2.862
   34    HB2  TYR   8           1HB      TYR   8  -4.624  -0.337  -1.768
   35    HB3  TYR   8           2HB      TYR   8  -3.658  -1.419  -2.762
   36    HD1  TYR   8           2HD      TYR   8  -6.629   0.823  -2.738
   37    HD2  TYR   8           1HD      TYR   8  -3.946  -1.521  -5.173
   38    HE1  TYR   8           2HE      TYR   8  -7.580   1.864  -4.787
   39    HE2  TYR   8           1HE      TYR   8  -4.883  -0.461  -7.220
   40    HH   TYR   8           HH       TYR   8  -6.399   1.033  -8.072
   41    H    VAL   9           H        VAL   9  -3.703  -4.144  -1.889
   42    HA   VAL   9           HA       VAL   9  -3.492  -3.961   1.069
   43    HB   VAL   9           HB       VAL   9  -3.673  -6.588  -0.444
   44   HG11  VAL   9          1HG1      VAL   9  -3.875  -7.531   1.859
   45   HG12  VAL   9          2HG1      VAL   9  -2.335  -6.705   1.622
   46   HG13  VAL   9          3HG1      VAL   9  -3.624  -5.909   2.536
   47   HG21  VAL   9          3HG2      VAL   9  -5.841  -6.919   0.719
   48   HG22  VAL   9          1HG2      VAL   9  -5.755  -5.255   1.335
   49   HG23  VAL   9          2HG2      VAL   9  -5.919  -5.566  -0.409
   50    H    CYS  10           H        CYS  10  -1.525  -4.261   1.925
   51    HA   CYS  10           HA       CYS  10   0.840  -3.890   0.410
   52    HB2  CYS  10           1HB      CYS  10   0.388  -3.257   2.775
   53    HB3  CYS  10           2HB      CYS  10   0.435  -4.965   3.222
   54    H    ALA  11           H        ALA  11   2.343  -5.185  -0.421
   55    HA   ALA  11           HA       ALA  11   1.786  -8.065  -0.688
   56    HB1  ALA  11           1HB      ALA  11   2.437  -6.722  -2.648
   57    HB2  ALA  11           2HB      ALA  11   3.990  -6.325  -1.875
   58    HB3  ALA  11           3HB      ALA  11   3.617  -8.003  -2.318
   59    H    LEU  12           H        LEU  12   3.370  -6.195   1.608
   60    HA   LEU  12           HA       LEU  12   5.502  -8.212   2.169
   61    HB2  LEU  12           1HB      LEU  12   5.298  -5.334   3.117
   62    HB3  LEU  12           2HB      LEU  12   6.614  -6.460   3.359
   63    HG   LEU  12           HG       LEU  12   6.853  -6.459   0.751
   64   HD11  LEU  12          1HD1      LEU  12   5.270  -3.873   1.153
   65   HD12  LEU  12          2HD1      LEU  12   4.825  -5.207   0.080
   66   HD13  LEU  12          3HD1      LEU  12   6.254  -4.247  -0.274
   67   HD21  LEU  12          3HD2      LEU  12   8.258  -4.437   0.925
   68   HD22  LEU  12          1HD2      LEU  12   8.410  -5.450   2.376
   69   HD23  LEU  12          2HD2      LEU  12   7.391  -4.001   2.416
   70    H    CYS  13           H        CYS  13   3.249  -6.083   3.912
   71    HA   CYS  13           HA       CYS  13   3.164  -8.031   6.173
   72    HB2  CYS  13           1HB      CYS  13   2.650  -6.311   7.678
   73    HB3  CYS  13           2HB      CYS  13   4.097  -5.906   6.774
   74    H    LEU  14           H        LEU  14   1.228  -7.244   3.617
   75    HA   LEU  14           HA       LEU  14  -0.910  -7.584   3.042
   76    HB2  LEU  14           1HB      LEU  14  -0.539  -9.735   5.106
   77    HB3  LEU  14           2HB      LEU  14  -2.047  -9.556   4.225
   78    HG   LEU  14           HG       LEU  14  -0.920  -9.811   2.072
   79   HD11  LEU  14          1HD1      LEU  14   1.362  -9.073   2.440
   80   HD12  LEU  14          2HD1      LEU  14   1.401 -10.772   2.002
   81   HD13  LEU  14          3HD1      LEU  14   1.607 -10.305   3.705
   82   HD21  LEU  14          3HD2      LEU  14  -0.291 -12.031   4.060
   83   HD22  LEU  14          1HD2      LEU  14  -0.459 -12.210   2.297
   84   HD23  LEU  14          2HD2      LEU  14  -1.860 -11.750   3.274
   85    H    LYS  15           H        LYS  15  -0.499  -5.466   4.991
   86    HA   LYS  15           HA       LYS  15  -3.067  -5.043   6.323
   87    HB2  LYS  15           1HB      LYS  15  -0.880  -4.052   7.027
   88    HB3  LYS  15           2HB      LYS  15  -0.862  -3.149   5.493
   89    HG2  LYS  15           1HG      LYS  15  -2.791  -1.839   6.164
   90    HG3  LYS  15           2HG      LYS  15  -3.106  -2.902   7.548
   91    HD2  LYS  15           1HD      LYS  15  -1.040  -2.154   8.639
   92    HD3  LYS  15           2HD      LYS  15  -0.643  -1.129   7.243
   93    HE2  LYS  15           1HE      LYS  15  -2.707   0.182   7.588
   94    HE3  LYS  15           2HE      LYS  15  -3.183  -0.880   8.918
   95    HZ1  LYS  15           3HZ      LYS  15  -0.777   0.865   8.925
   96    HZ2  LYS  15           1HZ      LYS  15  -1.218  -0.131  10.146
   97    HZ3  LYS  15           2HZ      LYS  15  -2.154   1.145   9.753
   98    H    LYS  16           H        LYS  16  -4.800  -3.837   5.617
   99    HA   LYS  16           HA       LYS  16  -5.015  -3.366   2.702
  100    HB2  LYS  16           1HB      LYS  16  -6.571  -4.884   3.848
  101    HB3  LYS  16           2HB      LYS  16  -7.172  -3.545   4.835
  102    HG2  LYS  16           1HG      LYS  16  -8.094  -2.429   2.900
  103    HG3  LYS  16           2HG      LYS  16  -7.261  -3.531   1.787
  104    HD2  LYS  16           1HD      LYS  16  -8.569  -5.433   2.710
  105    HD3  LYS  16           2HD      LYS  16  -9.483  -4.307   3.728
  106    HE2  LYS  16           1HE      LYS  16  -9.291  -4.153   0.685
  107    HE3  LYS  16           2HE      LYS  16 -10.580  -5.008   1.532
  108    HZ1  LYS  16           3HZ      LYS  16 -11.198  -2.733   0.900
  109    HZ2  LYS  16           1HZ      LYS  16 -10.041  -2.104   1.861
  110    HZ3  LYS  16           2HZ      LYS  16 -11.289  -2.935   2.526
  111    H    PHE  17           H        PHE  17  -5.841  -1.588   1.755
  112    HA   PHE  17           HA       PHE  17  -5.888   1.010   3.212
  113    HB2  PHE  17           1HB      PHE  17  -4.187   0.274   0.792
  114    HB3  PHE  17           2HB      PHE  17  -4.429   1.917   1.365
  115    HD1  PHE  17           2HD      PHE  17  -3.569   2.654   3.583
  116    HD2  PHE  17           1HD      PHE  17  -2.672  -1.244   1.967
  117    HE1  PHE  17           2HE      PHE  17  -1.769   2.368   5.270
  118    HE2  PHE  17           1HE      PHE  17  -0.877  -1.526   3.654
  119    HZ   PHE  17           HZ       PHE  17  -0.455   0.262   5.327
  120    H    VAL  18           H        VAL  18  -6.865   2.716   2.161
  121    HA   VAL  18           HA       VAL  18  -9.143   2.128   0.487
  122    HB   VAL  18           HB       VAL  18  -9.177   3.771   2.279
  123   HG11  VAL  18          1HG1      VAL  18  -7.312   5.507   0.590
  124   HG12  VAL  18          2HG1      VAL  18  -8.151   6.000   2.066
  125   HG13  VAL  18          3HG1      VAL  18  -6.923   4.743   2.149
  126   HG21  VAL  18          3HG2      VAL  18 -10.418   5.525   1.210
  127   HG22  VAL  18          1HG2      VAL  18  -9.681   5.179  -0.364
  128   HG23  VAL  18          2HG2      VAL  18 -10.773   3.994   0.392
  129    H    SER  19           H        SER  19  -5.899   3.226  -0.241
  130    HA   SER  19           HA       SER  19  -6.486   3.369  -3.142
  131    HB2  SER  19           1HB      SER  19  -6.907   5.630  -2.454
  132    HB3  SER  19           2HB      SER  19  -5.433   5.676  -1.479
  133    HG   SER  19           HG       SER  19  -5.374   6.672  -3.660
  134    H    SER  20           H        SER  20  -4.647   3.182  -4.464
  135    HA   SER  20           HA       SER  20  -2.413   1.658  -3.508
  136    HB2  SER  20           1HB      SER  20  -1.478   2.095  -5.753
  137    HB3  SER  20           2HB      SER  20  -3.151   1.522  -5.814
  138    HG   SER  20           HG       SER  20  -2.834   3.306  -7.210
  139    H    ILE  21           H        ILE  21  -2.964   5.151  -3.827
  140    HA   ILE  21           HA       ILE  21  -0.213   5.968  -3.500
  141    HB   ILE  21           HB       ILE  21  -2.790   7.442  -2.833
  142   HG12  ILE  21          1HG1      ILE  21  -2.827   6.860  -5.178
  143   HG13  ILE  21          2HG1      ILE  21  -2.526   8.575  -4.996
  144   HG21  ILE  21          1HG2      ILE  21  -1.363   9.500  -3.120
  145   HG22  ILE  21          2HG2      ILE  21  -0.985   8.533  -1.692
  146   HG23  ILE  21          3HG2      ILE  21   0.069   8.438  -3.117
  147   HD11  ILE  21          3HD1      ILE  21  -1.155   7.668  -6.789
  148   HD12  ILE  21          1HD1      ILE  21  -0.093   8.187  -5.471
  149   HD13  ILE  21          2HD1      ILE  21  -0.447   6.458  -5.712
  150    H    ARG  22           H        ARG  22  -2.842   5.426  -1.150
  151    HA   ARG  22           HA       ARG  22  -1.350   6.158   1.225
  152    HB2  ARG  22           1HB      ARG  22  -3.686   4.223   0.878
  153    HB3  ARG  22           2HB      ARG  22  -3.103   4.829   2.416
  154    HG2  ARG  22           1HG      ARG  22  -4.284   6.556   0.192
  155    HG3  ARG  22           2HG      ARG  22  -5.156   5.958   1.598
  156    HD2  ARG  22           1HD      ARG  22  -2.859   7.897   1.603
  157    HD3  ARG  22           2HD      ARG  22  -4.537   8.300   1.878
  158    HE   ARG  22           HE       ARG  22  -2.652   7.102   3.783
  159   HH11  ARG  22          2HH1      ARG  22  -6.062   7.690   3.214
  160   HH12  ARG  22          1HH1      ARG  22  -6.468   7.468   4.894
  161   HH21  ARG  22          2HH2      ARG  22  -3.244   6.839   5.900
  162   HH22  ARG  22          1HH2      ARG  22  -4.910   7.005   6.366
  163    H    LEU  23           H        LEU  23  -1.761   3.086  -0.521
  164    HA   LEU  23           HA       LEU  23  -0.228   1.496   1.302
  165    HB2  LEU  23           1HB      LEU  23  -1.825   0.460  -0.138
  166    HB3  LEU  23           2HB      LEU  23  -1.127   1.198  -1.580
  167    HG   LEU  23           HG       LEU  23   0.876  -0.151  -1.392
  168   HD11  LEU  23          1HD1      LEU  23   0.849  -0.440   1.156
  169   HD12  LEU  23          2HD1      LEU  23   1.206  -1.871   0.218
  170   HD13  LEU  23          3HD1      LEU  23  -0.420  -1.651   0.919
  171   HD21  LEU  23          3HD2      LEU  23  -0.128  -2.349  -1.883
  172   HD22  LEU  23          1HD2      LEU  23  -1.028  -1.033  -2.656
  173   HD23  LEU  23          2HD2      LEU  23  -1.671  -1.803  -1.187
  174    H    ARG  24           H        ARG  24   0.696   3.190  -1.775
  175    HA   ARG  24           HA       ARG  24   3.397   2.330  -1.889
  176    HB2  ARG  24           1HB      ARG  24   1.997   4.891  -2.735
  177    HB3  ARG  24           2HB      ARG  24   3.729   4.682  -2.983
  178    HG2  ARG  24           1HG      ARG  24   3.453   2.795  -4.422
  179    HG3  ARG  24           2HG      ARG  24   1.737   2.639  -4.043
  180    HD2  ARG  24           1HD      ARG  24   1.290   4.843  -5.076
  181    HD3  ARG  24           2HD      ARG  24   2.997   5.028  -5.470
  182    HE   ARG  24           HE       ARG  24   1.003   3.315  -6.799
  183   HH11  ARG  24          2HH1      ARG  24   4.446   3.939  -6.545
  184   HH12  ARG  24          1HH1      ARG  24   4.786   3.150  -8.060
  185   HH21  ARG  24          2HH2      ARG  24   1.515   2.329  -8.715
  186   HH22  ARG  24          1HH2      ARG  24   3.169   2.265  -9.248
  187    H    SER  25           H        SER  25   2.138   5.295  -0.354
  188    HA   SER  25           HA       SER  25   4.587   6.102   0.841
  189    HB2  SER  25           1HB      SER  25   1.667   6.645   1.422
  190    HB3  SER  25           2HB      SER  25   2.978   7.421   2.358
  191    HG   SER  25           HG       SER  25   2.307   8.684   0.543
  192    H    HIS  26           H        HIS  26   2.036   3.908   2.166
  193    HA   HIS  26           HA       HIS  26   3.204   3.526   4.745
  194    HB2  HIS  26           1HB      HIS  26   1.080   2.609   4.505
  195    HB3  HIS  26           2HB      HIS  26   1.421   1.888   2.948
  196    HD1  HIS  26           1HD      HIS  26   1.902   1.146   6.662
  197    HD2  HIS  26           2HD      HIS  26   2.615  -0.533   2.872
  198    HE1  HIS  26           1HE      HIS  26   2.431  -1.303   7.076
  199    H    ILE  27           H        ILE  27   3.924   1.832   1.619
  200    HA   ILE  27           HA       ILE  27   5.824   0.054   2.817
  201    HB   ILE  27           HB       ILE  27   5.722   1.002  -0.070
  202   HG12  ILE  27          1HG1      ILE  27   4.609  -1.597   1.084
  203   HG13  ILE  27          2HG1      ILE  27   3.619  -0.179   0.839
  204   HG21  ILE  27          1HG2      ILE  27   7.012  -1.485   1.139
  205   HG22  ILE  27          2HG2      ILE  27   7.031  -1.017  -0.569
  206   HG23  ILE  27          3HG2      ILE  27   7.909  -0.038   0.597
  207   HD11  ILE  27          3HD1      ILE  27   3.314  -1.644  -1.036
  208   HD12  ILE  27          1HD1      ILE  27   4.163  -0.185  -1.587
  209   HD13  ILE  27          2HD1      ILE  27   5.051  -1.714  -1.349
  210    H    ARG  28           H        ARG  28   6.269   3.329   1.413
  211    HA   ARG  28           HA       ARG  28   9.156   3.266   1.759
  212    HB2  ARG  28           1HB      ARG  28   7.480   5.782   1.744
  213    HB3  ARG  28           2HB      ARG  28   9.174   5.588   1.305
  214    HG2  ARG  28           1HG      ARG  28   6.718   4.782  -0.246
  215    HG3  ARG  28           2HG      ARG  28   7.956   5.925  -0.717
  216    HD2  ARG  28           1HD      ARG  28   8.279   2.898  -0.518
  217    HD3  ARG  28           2HD      ARG  28   7.992   3.798  -1.994
  218    HE   ARG  28           HE       ARG  28  10.521   3.573  -0.506
  219   HH11  ARG  28          2HH1      ARG  28   8.933   5.437  -3.061
  220   HH12  ARG  28          1HH1      ARG  28  10.481   5.841  -3.765
  221   HH21  ARG  28          2HH2      ARG  28  12.324   4.115  -1.482
  222   HH22  ARG  28          1HH2      ARG  28  12.313   5.031  -2.991
  223    H    GLU  29           H        GLU  29   6.553   4.457   3.879
  224    HA   GLU  29           HA       GLU  29   8.405   5.506   5.864
  225    HB2  GLU  29           1HB      GLU  29   5.413   4.968   5.879
  226    HB3  GLU  29           2HB      GLU  29   6.267   5.692   7.237
  227    HG2  GLU  29           1HG      GLU  29   6.235   6.890   4.433
  228    HG3  GLU  29           2HG      GLU  29   5.121   7.327   5.721
  229    H    VAL  30           H        VAL  30   6.644   2.428   5.576
  230    HA   VAL  30           HA       VAL  30   7.550   1.637   8.298
  231    HB   VAL  30           HB       VAL  30   5.390   0.395   6.558
  232   HG11  VAL  30          1HG1      VAL  30   4.587  -0.572   8.703
  233   HG12  VAL  30          2HG1      VAL  30   6.179  -1.179   8.254
  234   HG13  VAL  30          3HG1      VAL  30   6.032   0.066   9.518
  235   HG21  VAL  30          3HG2      VAL  30   3.809   1.561   8.123
  236   HG22  VAL  30          1HG2      VAL  30   5.190   2.429   8.827
  237   HG23  VAL  30          2HG2      VAL  30   4.731   2.690   7.131
  238    H    HIS  31           H        HIS  31   7.862   0.580   4.930
  239    HA   HIS  31           HA       HIS  31   9.508  -1.747   5.875
  240    HB2  HIS  31           1HB      HIS  31   8.150  -1.357   3.200
  241    HB3  HIS  31           2HB      HIS  31   9.038  -2.773   3.741
  242    HD1  HIS  31           1HD      HIS  31   7.785  -3.515   6.441
  243    HD2  HIS  31           2HD      HIS  31   5.656  -2.050   3.137
  244    HE1  HIS  31           1HE      HIS  31   5.400  -4.319   6.742
  245    H    GLY  32           H        GLY  32   9.759   1.301   4.285
  246    HA2  GLY  32           1HA      GLY  32  11.567   2.477   3.576
  247    HA3  GLY  32           2HA      GLY  32  12.574   1.330   4.468
  248    H    ALA  33           H        ALA  33  10.546   0.644   1.594
  249    HA   ALA  33           HA       ALA  33  12.462  -0.762   0.144
  250    HB1  ALA  33           1HB      ALA  33  10.909  -0.434  -1.761
  251    HB2  ALA  33           2HB      ALA  33  10.059  -0.900  -0.278
  252    HB3  ALA  33           3HB      ALA  33  10.027   0.794  -0.830
  253    H    ALA  34           H        ALA  34  14.110  -0.235  -0.940
  254    HA   ALA  34           HA       ALA  34  14.923   2.561  -1.435
  255    HB1  ALA  34           1HB      ALA  34  17.138   1.607  -1.803
  256    HB2  ALA  34           2HB      ALA  34  16.452   1.089  -0.250
  257    HB3  ALA  34           3HB      ALA  34  16.482  -0.038  -1.629
  258    H    GLN  35           H        GLN  35  13.664   3.149  -3.091
  259    HA   GLN  35           HA       GLN  35  14.499   2.435  -5.813
  260    HB2  GLN  35           1HB      GLN  35  12.216   2.058  -6.625
  261    HB3  GLN  35           2HB      GLN  35  12.731   0.829  -5.473
  262    HG2  GLN  35           1HG      GLN  35  11.402   1.961  -3.681
  263    HG3  GLN  35           2HG      GLN  35  10.862   3.160  -4.859
  264   HE21  GLN  35          1HE2      GLN  35   8.870   1.858  -3.566
  265   HE22  GLN  35          2HE2      GLN  35   8.144   0.654  -4.622
  Start of MODEL   14
    1    H1   GLY   1           1H       GLY   1 -15.839   3.169 -11.757
    2    H2   GLY   1           2H       GLY   1 -16.901   2.866 -12.968
    3    H3   GLY   1           3H       GLY   1 -15.760   1.756 -12.580
    4    HA2  GLY   1           1HA      GLY   1 -17.996   2.596 -10.849
    5    HA3  GLY   1           2HA      GLY   1 -17.901   1.063 -11.734
    6    H    SER   2           H        SER   2 -18.268   0.253  -9.484
    7    HA   SER   2           HA       SER   2 -16.015   0.322  -7.602
    8    HB2  SER   2           1HB      SER   2 -18.445   0.288  -6.939
    9    HB3  SER   2           2HB      SER   2 -18.511  -1.399  -7.490
   10    HG   SER   2           HG       SER   2 -18.051  -1.177  -5.226
   11    H    SER   3           H        SER   3 -15.084  -1.674  -6.730
   12    HA   SER   3           HA       SER   3 -14.693  -3.891  -8.693
   13    HB2  SER   3           1HB      SER   3 -12.467  -2.381  -7.272
   14    HB3  SER   3           2HB      SER   3 -12.266  -3.875  -8.208
   15    HG   SER   3           HG       SER   3 -11.801  -1.990  -9.446
   16    H    GLY   4           H        GLY   4 -14.380  -5.895  -7.816
   17    HA2  GLY   4           1HA      GLY   4 -15.603  -6.438  -5.357
   18    HA3  GLY   4           2HA      GLY   4 -14.668  -7.590  -6.310
   19    H    SER   5           H        SER   5 -12.172  -5.835  -5.880
   20    HA   SER   5           HA       SER   5 -11.195  -7.022  -3.437
   21    HB2  SER   5           1HB      SER   5  -9.998  -4.764  -5.083
   22    HB3  SER   5           2HB      SER   5  -9.156  -5.774  -3.894
   23    HG   SER   5           HG       SER   5  -8.816  -6.509  -6.048
   24    H    SER   6           H        SER   6 -12.922  -4.082  -4.016
   25    HA   SER   6           HA       SER   6 -13.311  -2.180  -2.888
   26    HB2  SER   6           1HB      SER   6 -14.328  -2.507  -0.717
   27    HB3  SER   6           2HB      SER   6 -14.791  -3.757  -1.876
   28    HG   SER   6           HG       SER   6 -14.328  -4.695   0.109
   29    H    GLY   7           H        GLY   7 -10.461  -2.556  -3.081
   30    HA2  GLY   7           1HA      GLY   7  -9.315  -0.388  -1.932
   31    HA3  GLY   7           2HA      GLY   7  -9.260  -1.544  -0.601
   32    H    TYR   8           H        TYR   8  -6.952  -1.083  -0.895
   33    HA   TYR   8           HA       TYR   8  -5.598  -2.918  -2.846
   34    HB2  TYR   8           1HB      TYR   8  -4.595  -0.236  -1.807
   35    HB3  TYR   8           2HB      TYR   8  -3.771  -1.300  -2.938
   36    HD1  TYR   8           2HD      TYR   8  -6.713   0.950  -2.514
   37    HD2  TYR   8           1HD      TYR   8  -4.285  -1.287  -5.294
   38    HE1  TYR   8           2HE      TYR   8  -7.846   2.086  -4.407
   39    HE2  TYR   8           1HE      TYR   8  -5.406  -0.125  -7.195
   40    HH   TYR   8           HH       TYR   8  -7.985   2.315  -6.689
   41    H    VAL   9           H        VAL   9  -3.613  -3.961  -2.002
   42    HA   VAL   9           HA       VAL   9  -3.454  -3.958   0.973
   43    HB   VAL   9           HB       VAL   9  -3.454  -6.472  -0.720
   44   HG11  VAL   9          1HG1      VAL   9  -3.754  -6.022   2.286
   45   HG12  VAL   9          2HG1      VAL   9  -3.759  -7.592   1.459
   46   HG13  VAL   9          3HG1      VAL   9  -2.288  -6.618   1.498
   47   HG21  VAL   9          3HG2      VAL   9  -5.706  -5.309   0.968
   48   HG22  VAL   9          1HG2      VAL   9  -5.735  -5.538  -0.798
   49   HG23  VAL   9          2HG2      VAL   9  -5.690  -6.941   0.268
   50    H    CYS  10           H        CYS  10  -1.534  -4.261   1.904
   51    HA   CYS  10           HA       CYS  10   0.938  -3.821   0.541
   52    HB2  CYS  10           1HB      CYS  10   0.399  -3.298   2.906
   53    HB3  CYS  10           2HB      CYS  10   0.419  -5.034   3.266
   54    H    ALA  11           H        ALA  11   2.440  -5.127  -0.277
   55    HA   ALA  11           HA       ALA  11   1.820  -7.995  -0.628
   56    HB1  ALA  11           1HB      ALA  11   4.016  -6.250  -1.815
   57    HB2  ALA  11           2HB      ALA  11   3.673  -7.940  -2.242
   58    HB3  ALA  11           3HB      ALA  11   2.474  -6.679  -2.583
   59    H    LEU  12           H        LEU  12   3.465  -6.139   1.691
   60    HA   LEU  12           HA       LEU  12   5.463  -8.283   2.223
   61    HB2  LEU  12           1HB      LEU  12   5.775  -5.892   3.831
   62    HB3  LEU  12           2HB      LEU  12   6.919  -6.868   2.985
   63    HG   LEU  12           HG       LEU  12   5.414  -4.435   2.081
   64   HD11  LEU  12          1HD1      LEU  12   7.637  -4.447   3.314
   65   HD12  LEU  12          2HD1      LEU  12   7.611  -3.537   1.783
   66   HD13  LEU  12          3HD1      LEU  12   8.359  -5.148   1.867
   67   HD21  LEU  12          3HD2      LEU  12   6.936  -6.207   0.153
   68   HD22  LEU  12          1HD2      LEU  12   6.577  -4.471  -0.107
   69   HD23  LEU  12          2HD2      LEU  12   5.258  -5.615   0.017
   70    H    CYS  13           H        CYS  13   3.230  -6.174   3.955
   71    HA   CYS  13           HA       CYS  13   3.059  -8.150   6.186
   72    HB2  CYS  13           1HB      CYS  13   2.568  -6.459   7.724
   73    HB3  CYS  13           2HB      CYS  13   4.040  -6.069   6.856
   74    H    LEU  14           H        LEU  14   1.222  -7.390   3.603
   75    HA   LEU  14           HA       LEU  14  -0.872  -7.836   2.947
   76    HB2  LEU  14           1HB      LEU  14  -1.079  -9.713   5.289
   77    HB3  LEU  14           2HB      LEU  14  -1.923  -9.797   3.748
   78    HG   LEU  14           HG       LEU  14   1.051 -10.266   4.226
   79   HD11  LEU  14          1HD1      LEU  14  -0.463 -12.090   4.905
   80   HD12  LEU  14          2HD1      LEU  14   0.535 -12.545   3.515
   81   HD13  LEU  14          3HD1      LEU  14  -1.173 -12.111   3.275
   82   HD21  LEU  14          3HD2      LEU  14  -0.494 -10.270   1.597
   83   HD22  LEU  14          1HD2      LEU  14   1.135 -10.949   1.820
   84   HD23  LEU  14          2HD2      LEU  14   0.873  -9.221   2.033
   85    H    LYS  15           H        LYS  15  -0.620  -5.632   4.991
   86    HA   LYS  15           HA       LYS  15  -3.267  -5.307   6.163
   87    HB2  LYS  15           1HB      LYS  15  -1.231  -4.172   7.047
   88    HB3  LYS  15           2HB      LYS  15  -1.061  -3.346   5.477
   89    HG2  LYS  15           1HG      LYS  15  -3.130  -2.145   5.837
   90    HG3  LYS  15           2HG      LYS  15  -3.498  -3.087   7.300
   91    HD2  LYS  15           1HD      LYS  15  -1.546  -2.060   8.419
   92    HD3  LYS  15           2HD      LYS  15  -1.175  -1.138   6.958
   93    HE2  LYS  15           1HE      LYS  15  -3.730  -0.968   8.625
   94    HE3  LYS  15           2HE      LYS  15  -2.409   0.201   8.612
   95    HZ1  LYS  15           3HZ      LYS  15  -2.934   0.634   6.246
   96    HZ2  LYS  15           1HZ      LYS  15  -4.229   0.945   7.193
   97    HZ3  LYS  15           2HZ      LYS  15  -4.186  -0.413   6.286
   98    H    LYS  16           H        LYS  16  -5.031  -4.187   5.394
   99    HA   LYS  16           HA       LYS  16  -5.126  -3.466   2.537
  100    HB2  LYS  16           1HB      LYS  16  -6.822  -4.929   3.667
  101    HB3  LYS  16           2HB      LYS  16  -7.402  -3.509   4.549
  102    HG2  LYS  16           1HG      LYS  16  -8.074  -2.431   2.452
  103    HG3  LYS  16           2HG      LYS  16  -7.272  -3.694   1.502
  104    HD2  LYS  16           1HD      LYS  16  -8.846  -5.382   2.518
  105    HD3  LYS  16           2HD      LYS  16  -9.711  -4.033   3.294
  106    HE2  LYS  16           1HE      LYS  16 -10.111  -3.030   1.044
  107    HE3  LYS  16           2HE      LYS  16  -9.236  -4.378   0.295
  108    HZ1  LYS  16           3HZ      LYS  16 -11.760  -4.624   1.845
  109    HZ2  LYS  16           1HZ      LYS  16 -10.940  -5.880   1.182
  110    HZ3  LYS  16           2HZ      LYS  16 -11.624  -4.751   0.225
  111    H    PHE  17           H        PHE  17  -5.884  -1.572   1.708
  112    HA   PHE  17           HA       PHE  17  -5.783   0.939   3.306
  113    HB2  PHE  17           1HB      PHE  17  -4.212   0.241   0.785
  114    HB3  PHE  17           2HB      PHE  17  -4.391   1.875   1.401
  115    HD1  PHE  17           1HD      PHE  17  -2.800  -1.402   1.976
  116    HD2  PHE  17           2HD      PHE  17  -3.297   2.623   3.451
  117    HE1  PHE  17           1HE      PHE  17  -0.962  -1.761   3.600
  118    HE2  PHE  17           2HE      PHE  17  -1.415   2.276   5.036
  119    HZ   PHE  17           HZ       PHE  17  -0.300   0.054   5.149
  120    H    VAL  18           H        VAL  18  -6.768   2.715   2.388
  121    HA   VAL  18           HA       VAL  18  -9.112   2.279   0.768
  122    HB   VAL  18           HB       VAL  18  -9.010   3.830   2.647
  123   HG11  VAL  18          1HG1      VAL  18  -7.936   6.023   2.506
  124   HG12  VAL  18          2HG1      VAL  18  -6.719   4.755   2.396
  125   HG13  VAL  18          3HG1      VAL  18  -7.238   5.625   0.932
  126   HG21  VAL  18          3HG2      VAL  18 -10.243   5.672   1.726
  127   HG22  VAL  18          1HG2      VAL  18  -9.595   5.384   0.103
  128   HG23  VAL  18          2HG2      VAL  18 -10.693   4.197   0.852
  129    H    SER  19           H        SER  19  -5.858   3.268  -0.052
  130    HA   SER  19           HA       SER  19  -6.567   3.598  -2.908
  131    HB2  SER  19           1HB      SER  19  -6.861   5.832  -2.110
  132    HB3  SER  19           2HB      SER  19  -5.368   5.766  -1.166
  133    HG   SER  19           HG       SER  19  -5.306   6.885  -3.282
  134    H    SER  20           H        SER  20  -4.807   3.415  -4.329
  135    HA   SER  20           HA       SER  20  -2.601   1.743  -3.585
  136    HB2  SER  20           1HB      SER  20  -1.765   2.287  -5.855
  137    HB3  SER  20           2HB      SER  20  -3.455   1.758  -5.845
  138    HG   SER  20           HG       SER  20  -3.165   3.611  -7.159
  139    H    ILE  21           H        ILE  21  -2.991   5.278  -3.725
  140    HA   ILE  21           HA       ILE  21  -0.179   5.920  -3.496
  141    HB   ILE  21           HB       ILE  21  -2.608   7.557  -2.675
  142   HG12  ILE  21          1HG1      ILE  21  -2.882   7.009  -5.002
  143   HG13  ILE  21          2HG1      ILE  21  -2.398   8.684  -4.860
  144   HG21  ILE  21          1HG2      ILE  21  -0.623   8.502  -1.683
  145   HG22  ILE  21          2HG2      ILE  21   0.281   8.361  -3.203
  146   HG23  ILE  21          3HG2      ILE  21  -1.071   9.508  -3.059
  147   HD11  ILE  21          3HD1      ILE  21  -0.061   8.054  -5.522
  148   HD12  ILE  21          1HD1      ILE  21  -0.606   6.367  -5.716
  149   HD13  ILE  21          2HD1      ILE  21  -1.272   7.642  -6.747
  150    H    ARG  22           H        ARG  22  -2.748   5.432  -1.091
  151    HA   ARG  22           HA       ARG  22  -1.182   6.050   1.270
  152    HB2  ARG  22           1HB      ARG  22  -3.616   4.241   0.922
  153    HB3  ARG  22           2HB      ARG  22  -2.993   4.802   2.462
  154    HG2  ARG  22           1HG      ARG  22  -3.968   6.708   0.286
  155    HG3  ARG  22           2HG      ARG  22  -5.026   6.018   1.500
  156    HD2  ARG  22           1HD      ARG  22  -2.599   7.695   2.128
  157    HD3  ARG  22           2HD      ARG  22  -4.227   8.333   1.992
  158    HE   ARG  22           HE       ARG  22  -3.118   6.664   4.172
  159   HH11  ARG  22          2HH1      ARG  22  -6.026   8.181   2.928
  160   HH12  ARG  22          1HH1      ARG  22  -6.854   8.037   4.453
  161   HH21  ARG  22          2HH2      ARG  22  -4.244   6.503   6.075
  162   HH22  ARG  22          1HH2      ARG  22  -5.872   7.105   6.176
  163    H    LEU  23           H        LEU  23  -1.798   3.047  -0.508
  164    HA   LEU  23           HA       LEU  23  -0.267   1.276   1.147
  165    HB2  LEU  23           1HB      LEU  23  -1.883   0.358  -0.309
  166    HB3  LEU  23           2HB      LEU  23  -1.310   1.279  -1.693
  167    HG   LEU  23           HG       LEU  23   0.718  -0.075  -1.848
  168   HD11  LEU  23          1HD1      LEU  23   0.964  -0.717   0.573
  169   HD12  LEU  23          2HD1      LEU  23   1.020  -2.075  -0.542
  170   HD13  LEU  23          3HD1      LEU  23  -0.461  -1.748   0.406
  171   HD21  LEU  23          3HD2      LEU  23  -0.337  -2.163  -2.573
  172   HD22  LEU  23          1HD2      LEU  23  -1.310  -0.764  -3.060
  173   HD23  LEU  23          2HD2      LEU  23  -1.805  -1.755  -1.664
  174    H    ARG  24           H        ARG  24   0.634   3.077  -1.869
  175    HA   ARG  24           HA       ARG  24   3.297   2.128  -2.053
  176    HB2  ARG  24           1HB      ARG  24   1.966   4.733  -2.882
  177    HB3  ARG  24           2HB      ARG  24   3.676   4.445  -3.198
  178    HG2  ARG  24           1HG      ARG  24   3.262   2.562  -4.603
  179    HG3  ARG  24           2HG      ARG  24   1.573   2.446  -4.113
  180    HD2  ARG  24           1HD      ARG  24   1.131   4.670  -5.153
  181    HD3  ARG  24           2HD      ARG  24   2.818   4.723  -5.707
  182    HE   ARG  24           HE       ARG  24   1.658   2.283  -6.599
  183   HH11  ARG  24          2HH1      ARG  24   1.357   5.697  -7.324
  184   HH12  ARG  24          1HH1      ARG  24   0.772   5.395  -8.938
  185   HH21  ARG  24          2HH2      ARG  24   0.926   1.970  -8.674
  186   HH22  ARG  24          1HH2      ARG  24   0.546   3.338  -9.678
  187    H    SER  25           H        SER  25   2.193   5.150  -0.505
  188    HA   SER  25           HA       SER  25   4.730   5.849   0.581
  189    HB2  SER  25           1HB      SER  25   1.872   6.605   1.234
  190    HB3  SER  25           2HB      SER  25   3.266   7.329   2.085
  191    HG   SER  25           HG       SER  25   2.606   8.561   0.245
  192    H    HIS  26           H        HIS  26   2.101   3.846   2.048
  193    HA   HIS  26           HA       HIS  26   3.235   3.484   4.616
  194    HB2  HIS  26           1HB      HIS  26   1.125   2.532   4.315
  195    HB3  HIS  26           2HB      HIS  26   1.548   1.754   2.808
  196    HD1  HIS  26           1HD      HIS  26   1.906   1.179   6.574
  197    HD2  HIS  26           2HD      HIS  26   2.701  -0.666   2.876
  198    HE1  HIS  26           1HE      HIS  26   2.376  -1.258   7.103
  199    H    ILE  27           H        ILE  27   4.023   1.707   1.550
  200    HA   ILE  27           HA       ILE  27   5.938   0.017   2.850
  201    HB   ILE  27           HB       ILE  27   5.931   0.804  -0.079
  202   HG12  ILE  27          1HG1      ILE  27   4.777  -1.759   1.072
  203   HG13  ILE  27          2HG1      ILE  27   3.773  -0.335   0.827
  204   HG21  ILE  27          1HG2      ILE  27   7.196  -1.495   1.378
  205   HG22  ILE  27          2HG2      ILE  27   7.246  -1.239  -0.380
  206   HG23  ILE  27          3HG2      ILE  27   8.061  -0.106   0.697
  207   HD11  ILE  27          3HD1      ILE  27   5.299  -1.801  -1.348
  208   HD12  ILE  27          1HD1      ILE  27   3.544  -1.745  -1.103
  209   HD13  ILE  27          2HD1      ILE  27   4.421  -0.269  -1.572
  210    H    ARG  28           H        ARG  28   6.328   3.229   1.309
  211    HA   ARG  28           HA       ARG  28   9.204   3.238   1.599
  212    HB2  ARG  28           1HB      ARG  28   7.464   5.710   1.579
  213    HB3  ARG  28           2HB      ARG  28   9.145   5.543   1.079
  214    HG2  ARG  28           1HG      ARG  28   6.656   4.607  -0.359
  215    HG3  ARG  28           2HG      ARG  28   7.830   5.802  -0.894
  216    HD2  ARG  28           1HD      ARG  28   9.513   3.951  -1.091
  217    HD3  ARG  28           2HD      ARG  28   8.219   2.788  -0.684
  218    HE   ARG  28           HE       ARG  28   7.175   4.244  -2.784
  219   HH11  ARG  28          2HH1      ARG  28  10.090   2.311  -2.471
  220   HH12  ARG  28          1HH1      ARG  28  10.046   1.833  -4.153
  221   HH21  ARG  28          2HH2      ARG  28   7.221   3.630  -4.918
  222   HH22  ARG  28          1HH2      ARG  28   8.474   2.573  -5.490
  223    H    GLU  29           H        GLU  29   6.632   4.420   3.784
  224    HA   GLU  29           HA       GLU  29   8.657   5.505   5.620
  225    HB2  GLU  29           1HB      GLU  29   6.948   6.574   6.736
  226    HB3  GLU  29           2HB      GLU  29   6.526   6.661   5.022
  227    HG2  GLU  29           1HG      GLU  29   4.952   4.693   5.464
  228    HG3  GLU  29           2HG      GLU  29   5.290   4.929   7.180
  229    H    VAL  30           H        VAL  30   6.568   2.664   5.595
  230    HA   VAL  30           HA       VAL  30   7.413   1.961   8.357
  231    HB   VAL  30           HB       VAL  30   5.342   0.546   6.643
  232   HG11  VAL  30          1HG1      VAL  30   5.878   0.515   9.642
  233   HG12  VAL  30          2HG1      VAL  30   4.507  -0.273   8.830
  234   HG13  VAL  30          3HG1      VAL  30   6.146  -0.830   8.507
  235   HG21  VAL  30          3HG2      VAL  30   3.679   1.776   8.122
  236   HG22  VAL  30          1HG2      VAL  30   5.018   2.816   8.655
  237   HG23  VAL  30          2HG2      VAL  30   4.514   2.790   6.950
  238    H    HIS  31           H        HIS  31   7.762   0.721   5.037
  239    HA   HIS  31           HA       HIS  31   9.393  -1.549   6.123
  240    HB2  HIS  31           1HB      HIS  31   8.077  -1.241   3.419
  241    HB3  HIS  31           2HB      HIS  31   9.001  -2.621   3.971
  242    HD1  HIS  31           1HD      HIS  31   7.786  -3.550   6.560
  243    HD2  HIS  31           2HD      HIS  31   5.605  -1.967   3.348
  244    HE1  HIS  31           1HE      HIS  31   5.464  -4.552   6.731
  245    H    GLY  32           H        GLY  32   9.714   1.440   4.409
  246    HA2  GLY  32           1HA      GLY  32  11.590   2.585   3.829
  247    HA3  GLY  32           2HA      GLY  32  12.562   1.343   4.624
  248    H    ALA  33           H        ALA  33  10.484   0.514   1.872
  249    HA   ALA  33           HA       ALA  33  12.765  -0.423   0.344
  250    HB1  ALA  33           1HB      ALA  33   9.878  -0.104  -0.542
  251    HB2  ALA  33           2HB      ALA  33  11.119  -1.122  -1.284
  252    HB3  ALA  33           3HB      ALA  33  10.519  -1.515   0.339
  253    H    ALA  34           H        ALA  34  14.146   1.119  -0.351
  254    HA   ALA  34           HA       ALA  34  13.143   3.300  -2.135
  255    HB1  ALA  34           1HB      ALA  34  13.625   4.109   0.155
  256    HB2  ALA  34           2HB      ALA  34  15.287   3.489   0.020
  257    HB3  ALA  34           3HB      ALA  34  14.734   4.808  -1.038
  258    H    GLN  35           H        GLN  35  14.651   0.558  -2.497
  259    HA   GLN  35           HA       GLN  35  17.178   1.285  -3.779
  260    HB2  GLN  35           1HB      GLN  35  15.619  -1.330  -3.687
  261    HB3  GLN  35           2HB      GLN  35  17.213  -1.121  -4.422
  262    HG2  GLN  35           1HG      GLN  35  18.137  -0.397  -2.224
  263    HG3  GLN  35           2HG      GLN  35  16.564  -0.663  -1.475
  264   HE21  GLN  35          1HE2      GLN  35  18.407  -2.036  -0.202
  265   HE22  GLN  35          2HE2      GLN  35  18.440  -3.724  -0.698
  Start of MODEL   15
    1    H1   GLY   1           1H       GLY   1 -25.332  -3.973   2.765
    2    H2   GLY   1           2H       GLY   1 -26.068  -4.604   4.087
    3    H3   GLY   1           3H       GLY   1 -24.473  -4.883   3.821
    4    HA2  GLY   1           1HA      GLY   1 -25.663  -2.235   4.382
    5    HA3  GLY   1           2HA      GLY   1 -24.785  -3.223   5.565
    6    H    SER   2           H        SER   2 -22.810  -2.352   5.897
    7    HA   SER   2           HA       SER   2 -21.242  -1.005   3.831
    8    HB2  SER   2           1HB      SER   2 -19.568  -0.827   5.703
    9    HB3  SER   2           2HB      SER   2 -21.146  -0.091   6.007
   10    HG   SER   2           HG       SER   2 -20.392  -1.348   7.793
   11    H    SER   3           H        SER   3 -21.821  -3.428   2.862
   12    HA   SER   3           HA       SER   3 -19.942  -5.516   3.557
   13    HB2  SER   3           1HB      SER   3 -21.924  -5.387   1.260
   14    HB3  SER   3           2HB      SER   3 -21.224  -6.843   1.990
   15    HG   SER   3           HG       SER   3 -22.367  -6.429   3.875
   16    H    GLY   4           H        GLY   4 -19.785  -2.966   1.228
   17    HA2  GLY   4           1HA      GLY   4 -18.020  -4.273  -0.701
   18    HA3  GLY   4           2HA      GLY   4 -18.394  -2.555  -0.598
   19    H    SER   5           H        SER   5 -15.860  -3.310  -1.201
   20    HA   SER   5           HA       SER   5 -14.334  -2.172   1.055
   21    HB2  SER   5           1HB      SER   5 -14.144  -4.556   1.514
   22    HB3  SER   5           2HB      SER   5 -13.617  -4.872  -0.144
   23    HG   SER   5           HG       SER   5 -12.276  -3.285   1.815
   24    H    SER   6           H        SER   6 -13.508  -3.795  -2.047
   25    HA   SER   6           HA       SER   6 -12.150  -3.220  -3.746
   26    HB2  SER   6           1HB      SER   6 -13.448  -0.497  -3.474
   27    HB3  SER   6           2HB      SER   6 -12.645  -1.149  -4.914
   28    HG   SER   6           HG       SER   6 -14.924  -1.423  -4.996
   29    H    GLY   7           H        GLY   7 -10.964  -2.741  -1.016
   30    HA2  GLY   7           1HA      GLY   7  -9.118  -0.512  -1.262
   31    HA3  GLY   7           2HA      GLY   7  -9.099  -1.763  -0.032
   32    H    TYR   8           H        TYR   8  -6.777  -0.881  -0.826
   33    HA   TYR   8           HA       TYR   8  -5.563  -2.874  -2.714
   34    HB2  TYR   8           1HB      TYR   8  -4.558  -0.135  -1.855
   35    HB3  TYR   8           2HB      TYR   8  -3.735  -1.248  -2.933
   36    HD1  TYR   8           2HD      TYR   8  -6.812   0.863  -2.615
   37    HD2  TYR   8           1HD      TYR   8  -4.193  -1.319  -5.263
   38    HE1  TYR   8           2HE      TYR   8  -7.962   1.870  -4.576
   39    HE2  TYR   8           1HE      TYR   8  -5.339  -0.296  -7.227
   40    HH   TYR   8           HH       TYR   8  -8.062   2.007  -6.864
   41    H    VAL   9           H        VAL   9  -3.710  -4.060  -1.953
   42    HA   VAL   9           HA       VAL   9  -3.339  -3.938   1.013
   43    HB   VAL   9           HB       VAL   9  -3.589  -6.468  -0.631
   44   HG11  VAL   9          1HG1      VAL   9  -3.775  -7.529   1.641
   45   HG12  VAL   9          2HG1      VAL   9  -2.199  -6.806   1.340
   46   HG13  VAL   9          3HG1      VAL   9  -3.363  -5.963   2.374
   47   HG21  VAL   9          3HG2      VAL   9  -5.737  -6.789   0.584
   48   HG22  VAL   9          1HG2      VAL   9  -5.582  -5.161   1.272
   49   HG23  VAL   9          2HG2      VAL   9  -5.797  -5.385  -0.478
   50    H    CYS  10           H        CYS  10  -1.428  -4.257   1.898
   51    HA   CYS  10           HA       CYS  10   1.010  -3.883   0.502
   52    HB2  CYS  10           1HB      CYS  10   0.454  -3.316   2.851
   53    HB3  CYS  10           2HB      CYS  10   0.482  -5.042   3.248
   54    H    ALA  11           H        ALA  11   2.456  -5.186  -0.403
   55    HA   ALA  11           HA       ALA  11   1.888  -8.059  -0.694
   56    HB1  ALA  11           1HB      ALA  11   3.740  -8.001  -2.301
   57    HB2  ALA  11           2HB      ALA  11   2.574  -6.708  -2.635
   58    HB3  ALA  11           3HB      ALA  11   4.119  -6.330  -1.840
   59    H    LEU  12           H        LEU  12   3.414  -6.247   1.665
   60    HA   LEU  12           HA       LEU  12   5.531  -8.274   2.247
   61    HB2  LEU  12           1HB      LEU  12   5.324  -5.399   3.203
   62    HB3  LEU  12           2HB      LEU  12   6.627  -6.533   3.472
   63    HG   LEU  12           HG       LEU  12   6.947  -6.533   0.887
   64   HD11  LEU  12          1HD1      LEU  12   5.320  -3.961   1.211
   65   HD12  LEU  12          2HD1      LEU  12   4.941  -5.304   0.125
   66   HD13  LEU  12          3HD1      LEU  12   6.367  -4.327  -0.174
   67   HD21  LEU  12          3HD2      LEU  12   8.434  -5.478   2.561
   68   HD22  LEU  12          1HD2      LEU  12   7.396  -4.040   2.532
   69   HD23  LEU  12          2HD2      LEU  12   8.328  -4.495   1.087
   70    H    CYS  13           H        CYS  13   3.242  -6.146   3.940
   71    HA   CYS  13           HA       CYS  13   3.081  -8.122   6.172
   72    HB2  CYS  13           1HB      CYS  13   2.588  -6.436   7.713
   73    HB3  CYS  13           2HB      CYS  13   4.062  -6.042   6.849
   74    H    LEU  14           H        LEU  14   1.233  -7.314   3.587
   75    HA   LEU  14           HA       LEU  14  -0.894  -7.678   2.951
   76    HB2  LEU  14           1HB      LEU  14  -0.515  -9.824   5.022
   77    HB3  LEU  14           2HB      LEU  14  -1.998  -9.689   4.092
   78    HG   LEU  14           HG       LEU  14  -0.794  -9.906   1.976
   79   HD11  LEU  14          1HD1      LEU  14   1.555 -10.798   1.983
   80   HD12  LEU  14          2HD1      LEU  14   1.693 -10.323   3.691
   81   HD13  LEU  14          3HD1      LEU  14   1.451  -9.101   2.416
   82   HD21  LEU  14          3HD2      LEU  14  -1.715 -11.875   3.146
   83   HD22  LEU  14          1HD2      LEU  14  -0.161 -12.109   3.980
   84   HD23  LEU  14          2HD2      LEU  14  -0.268 -12.290   2.213
   85    H    LYS  15           H        LYS  15  -0.610  -5.540   4.850
   86    HA   LYS  15           HA       LYS  15  -3.239  -5.243   6.136
   87    HB2  LYS  15           1HB      LYS  15  -1.092  -4.323   7.040
   88    HB3  LYS  15           2HB      LYS  15  -0.992  -3.297   5.592
   89    HG2  LYS  15           1HG      LYS  15  -2.942  -2.032   6.258
   90    HG3  LYS  15           2HG      LYS  15  -3.357  -3.209   7.520
   91    HD2  LYS  15           1HD      LYS  15  -1.379  -2.591   8.817
   92    HD3  LYS  15           2HD      LYS  15  -0.843  -1.482   7.541
   93    HE2  LYS  15           1HE      LYS  15  -2.899  -0.133   7.824
   94    HE3  LYS  15           2HE      LYS  15  -3.489  -1.261   9.049
   95    HZ1  LYS  15           3HZ      LYS  15  -2.453   0.675  10.073
   96    HZ2  LYS  15           1HZ      LYS  15  -1.033   0.395   9.316
   97    HZ3  LYS  15           2HZ      LYS  15  -1.587  -0.655  10.443
   98    H    LYS  16           H        LYS  16  -4.936  -3.995   5.411
   99    HA   LYS  16           HA       LYS  16  -4.957  -3.235   2.551
  100    HB2  LYS  16           1HB      LYS  16  -6.678  -4.760   3.436
  101    HB3  LYS  16           2HB      LYS  16  -7.247  -3.493   4.530
  102    HG2  LYS  16           1HG      LYS  16  -7.901  -2.081   2.648
  103    HG3  LYS  16           2HG      LYS  16  -7.204  -3.216   1.484
  104    HD2  LYS  16           1HD      LYS  16  -9.480  -3.916   3.389
  105    HD3  LYS  16           2HD      LYS  16  -9.721  -3.255   1.767
  106    HE2  LYS  16           1HE      LYS  16  -8.526  -5.168   0.766
  107    HE3  LYS  16           2HE      LYS  16  -8.261  -5.865   2.371
  108    HZ1  LYS  16           3HZ      LYS  16 -10.234  -6.794   1.211
  109    HZ2  LYS  16           1HZ      LYS  16 -10.954  -5.318   1.232
  110    HZ3  LYS  16           2HZ      LYS  16 -10.643  -6.097   2.630
  111    H    PHE  17           H        PHE  17  -5.512  -1.329   1.732
  112    HA   PHE  17           HA       PHE  17  -5.687   1.110   3.432
  113    HB2  PHE  17           1HB      PHE  17  -3.901   0.601   1.014
  114    HB3  PHE  17           2HB      PHE  17  -4.141   2.173   1.764
  115    HD1  PHE  17           2HD      PHE  17  -3.371   2.628   4.081
  116    HD2  PHE  17           1HD      PHE  17  -2.460  -1.080   2.069
  117    HE1  PHE  17           2HE      PHE  17  -1.708   2.077   5.845
  118    HE2  PHE  17           1HE      PHE  17  -0.791  -1.617   3.822
  119    HZ   PHE  17           HZ       PHE  17  -0.456  -0.067   5.732
  120    H    VAL  18           H        VAL  18  -6.593   2.938   2.428
  121    HA   VAL  18           HA       VAL  18  -8.925   2.405   0.858
  122    HB   VAL  18           HB       VAL  18  -8.803   4.087   2.614
  123   HG11  VAL  18          1HG1      VAL  18  -7.765   6.281   2.275
  124   HG12  VAL  18          2HG1      VAL  18  -6.551   5.003   2.259
  125   HG13  VAL  18          3HG1      VAL  18  -7.072   5.754   0.733
  126   HG21  VAL  18          3HG2      VAL  18 -10.098   5.832   1.591
  127   HG22  VAL  18          1HG2      VAL  18  -9.488   5.430  -0.022
  128   HG23  VAL  18          2HG2      VAL  18 -10.536   4.285   0.847
  129    H    SER  19           H        SER  19  -5.708   3.462  -0.133
  130    HA   SER  19           HA       SER  19  -6.568   3.338  -2.954
  131    HB2  SER  19           1HB      SER  19  -5.971   5.451  -3.593
  132    HB3  SER  19           2HB      SER  19  -6.672   5.783  -2.000
  133    HG   SER  19           HG       SER  19  -4.734   6.855  -2.219
  134    H    SER  20           H        SER  20  -4.779   3.306  -4.488
  135    HA   SER  20           HA       SER  20  -2.552   1.664  -3.761
  136    HB2  SER  20           1HB      SER  20  -1.731   2.256  -6.032
  137    HB3  SER  20           2HB      SER  20  -3.409   1.689  -6.016
  138    HG   SER  20           HG       SER  20  -3.160   3.573  -7.307
  139    H    ILE  21           H        ILE  21  -2.993   5.182  -3.806
  140    HA   ILE  21           HA       ILE  21  -0.172   5.849  -3.540
  141    HB   ILE  21           HB       ILE  21  -2.714   7.422  -2.998
  142   HG12  ILE  21          1HG1      ILE  21  -2.455   6.917  -5.357
  143   HG13  ILE  21          2HG1      ILE  21  -2.210   8.624  -5.049
  144   HG21  ILE  21          1HG2      ILE  21  -1.222   9.443  -3.009
  145   HG22  ILE  21          2HG2      ILE  21  -1.090   8.408  -1.586
  146   HG23  ILE  21          3HG2      ILE  21   0.168   8.341  -2.844
  147   HD11  ILE  21          3HD1      ILE  21  -0.020   6.579  -5.624
  148   HD12  ILE  21          1HD1      ILE  21  -0.615   7.846  -6.703
  149   HD13  ILE  21          2HD1      ILE  21   0.268   8.293  -5.236
  150    H    ARG  22           H        ARG  22  -2.859   5.442  -1.171
  151    HA   ARG  22           HA       ARG  22  -1.167   6.025   1.123
  152    HB2  ARG  22           1HB      ARG  22  -3.705   4.347   1.059
  153    HB3  ARG  22           2HB      ARG  22  -2.942   5.053   2.480
  154    HG2  ARG  22           1HG      ARG  22  -4.461   6.442   0.272
  155    HG3  ARG  22           2HG      ARG  22  -4.807   6.409   1.992
  156    HD2  ARG  22           1HD      ARG  22  -2.568   7.894   0.611
  157    HD3  ARG  22           2HD      ARG  22  -4.047   8.597   1.226
  158    HE   ARG  22           HE       ARG  22  -1.679   7.830   2.777
  159   HH11  ARG  22          2HH1      ARG  22  -5.093   8.576   3.095
  160   HH12  ARG  22          1HH1      ARG  22  -4.942   8.925   4.795
  161   HH21  ARG  22          2HH2      ARG  22  -1.571   8.281   4.942
  162   HH22  ARG  22          1HH2      ARG  22  -3.002   8.765   5.802
  163    H    LEU  23           H        LEU  23  -1.890   3.030  -0.617
  164    HA   LEU  23           HA       LEU  23  -0.421   1.244   1.081
  165    HB2  LEU  23           1HB      LEU  23  -1.986   0.334  -0.455
  166    HB3  LEU  23           2HB      LEU  23  -1.331   1.248  -1.810
  167    HG   LEU  23           HG       LEU  23   0.696  -0.103  -1.838
  168   HD11  LEU  23          1HD1      LEU  23   0.917  -2.104  -0.502
  169   HD12  LEU  23          2HD1      LEU  23  -0.597  -1.751   0.376
  170   HD13  LEU  23          3HD1      LEU  23   0.832  -0.727   0.587
  171   HD21  LEU  23          3HD2      LEU  23  -0.286  -2.199  -2.611
  172   HD22  LEU  23          1HD2      LEU  23  -1.273  -0.826  -3.144
  173   HD23  LEU  23          2HD2      LEU  23  -1.799  -1.830  -1.767
  174    H    ARG  24           H        ARG  24   0.587   3.025  -1.930
  175    HA   ARG  24           HA       ARG  24   3.279   2.109  -1.910
  176    HB2  ARG  24           1HB      ARG  24   1.941   4.623  -2.958
  177    HB3  ARG  24           2HB      ARG  24   3.680   4.376  -3.140
  178    HG2  ARG  24           1HG      ARG  24   3.405   2.407  -4.470
  179    HG3  ARG  24           2HG      ARG  24   1.675   2.307  -4.124
  180    HD2  ARG  24           1HD      ARG  24   1.294   4.455  -5.278
  181    HD3  ARG  24           2HD      ARG  24   3.013   4.599  -5.635
  182    HE   ARG  24           HE       ARG  24   1.033   2.872  -6.953
  183   HH11  ARG  24          2HH1      ARG  24   4.484   3.376  -6.572
  184   HH12  ARG  24          1HH1      ARG  24   4.859   2.493  -8.027
  185   HH21  ARG  24          2HH2      ARG  24   1.589   1.767  -8.794
  186   HH22  ARG  24          1HH2      ARG  24   3.261   1.616  -9.245
  187    H    SER  25           H        SER  25   1.952   5.099  -0.506
  188    HA   SER  25           HA       SER  25   4.344   6.057   0.672
  189    HB2  SER  25           1HB      SER  25   2.230   7.342   0.375
  190    HB3  SER  25           2HB      SER  25   1.479   6.391   1.670
  191    HG   SER  25           HG       SER  25   2.369   8.430   2.376
  192    H    HIS  26           H        HIS  26   1.914   3.782   2.053
  193    HA   HIS  26           HA       HIS  26   3.037   3.491   4.652
  194    HB2  HIS  26           1HB      HIS  26   0.961   2.470   4.371
  195    HB3  HIS  26           2HB      HIS  26   1.384   1.723   2.850
  196    HD1  HIS  26           1HD      HIS  26   1.896   1.137   6.607
  197    HD2  HIS  26           2HD      HIS  26   2.544  -0.684   2.871
  198    HE1  HIS  26           1HE      HIS  26   2.439  -1.289   7.104
  199    H    ILE  27           H        ILE  27   3.874   1.727   1.620
  200    HA   ILE  27           HA       ILE  27   5.766   0.007   2.882
  201    HB   ILE  27           HB       ILE  27   5.688   0.902  -0.026
  202   HG12  ILE  27          1HG1      ILE  27   4.553  -1.659   1.203
  203   HG13  ILE  27          2HG1      ILE  27   3.579  -0.249   0.854
  204   HG21  ILE  27          1HG2      ILE  27   6.977  -1.565   1.221
  205   HG22  ILE  27          2HG2      ILE  27   7.012  -1.107  -0.491
  206   HG23  ILE  27          3HG2      ILE  27   7.870  -0.120   0.680
  207   HD11  ILE  27          3HD1      ILE  27   4.185  -0.400  -1.554
  208   HD12  ILE  27          1HD1      ILE  27   5.046  -1.922  -1.207
  209   HD13  ILE  27          2HD1      ILE  27   3.304  -1.811  -0.938
  210    H    ARG  28           H        ARG  28   6.188   3.277   1.501
  211    HA   ARG  28           HA       ARG  28   9.085   3.232   1.916
  212    HB2  ARG  28           1HB      ARG  28   7.431   5.746   1.802
  213    HB3  ARG  28           2HB      ARG  28   9.115   5.499   1.344
  214    HG2  ARG  28           1HG      ARG  28   6.610   4.687  -0.137
  215    HG3  ARG  28           2HG      ARG  28   7.836   5.821  -0.667
  216    HD2  ARG  28           1HD      ARG  28   8.221   2.807  -0.383
  217    HD3  ARG  28           2HD      ARG  28   7.812   3.633  -1.869
  218    HE   ARG  28           HE       ARG  28  10.419   3.773  -0.410
  219   HH11  ARG  28          2HH1      ARG  28   8.681   4.681  -3.372
  220   HH12  ARG  28          1HH1      ARG  28  10.231   4.852  -4.207
  221   HH21  ARG  28          2HH2      ARG  28  12.208   4.085  -1.641
  222   HH22  ARG  28          1HH2      ARG  28  12.006   4.597  -3.330
  223    H    GLU  29           H        GLU  29   6.343   4.390   3.845
  224    HA   GLU  29           HA       GLU  29   7.920   5.687   5.858
  225    HB2  GLU  29           1HB      GLU  29   5.059   4.674   5.767
  226    HB3  GLU  29           2HB      GLU  29   5.722   5.457   7.196
  227    HG2  GLU  29           1HG      GLU  29   5.717   6.779   4.450
  228    HG3  GLU  29           2HG      GLU  29   4.419   6.954   5.628
  229    H    VAL  30           H        VAL  30   6.624   2.323   5.758
  230    HA   VAL  30           HA       VAL  30   8.077   1.849   8.336
  231    HB   VAL  30           HB       VAL  30   6.568   0.302   8.979
  232   HG11  VAL  30          1HG1      VAL  30   4.858   2.458   7.686
  233   HG12  VAL  30          2HG1      VAL  30   4.458   1.506   9.130
  234   HG13  VAL  30          3HG1      VAL  30   5.799   2.668   9.183
  235   HG21  VAL  30          3HG2      VAL  30   4.599  -0.492   7.772
  236   HG22  VAL  30          1HG2      VAL  30   5.151   0.336   6.302
  237   HG23  VAL  30          2HG2      VAL  30   6.089  -1.004   6.996
  238    H    HIS  31           H        HIS  31   7.814   0.546   5.068
  239    HA   HIS  31           HA       HIS  31   9.567  -1.743   5.898
  240    HB2  HIS  31           1HB      HIS  31   8.115  -1.353   3.278
  241    HB3  HIS  31           2HB      HIS  31   9.034  -2.756   3.783
  242    HD1  HIS  31           1HD      HIS  31   7.872  -3.687   6.413
  243    HD2  HIS  31           2HD      HIS  31   5.620  -2.000   3.304
  244    HE1  HIS  31           1HE      HIS  31   5.498  -4.528   6.734
  245    H    GLY  32           H        GLY  32   9.730   1.330   4.482
  246    HA2  GLY  32           1HA      GLY  32  11.431   2.568   3.610
  247    HA3  GLY  32           2HA      GLY  32  12.519   1.468   4.469
  248    H    ALA  33           H        ALA  33  10.415   0.805   1.606
  249    HA   ALA  33           HA       ALA  33  12.388  -0.565   0.164
  250    HB1  ALA  33           1HB      ALA  33  10.736  -0.444  -1.678
  251    HB2  ALA  33           2HB      ALA  33   9.983  -0.893  -0.143
  252    HB3  ALA  33           3HB      ALA  33   9.807   0.766  -0.770
  253    H    ALA  34           H        ALA  34  13.288  -0.105  -1.730
  254    HA   ALA  34           HA       ALA  34  14.547   2.572  -1.915
  255    HB1  ALA  34           1HB      ALA  34  15.915   0.592  -1.370
  256    HB2  ALA  34           2HB      ALA  34  15.484  -0.132  -2.940
  257    HB3  ALA  34           3HB      ALA  34  16.440   1.365  -2.875
  258    H    GLN  35           H        GLN  35  11.987   1.568  -3.448
  259    HA   GLN  35           HA       GLN  35  12.536   1.559  -6.245
  260    HB2  GLN  35           1HB      GLN  35   9.990   2.237  -4.716
  261    HB3  GLN  35           2HB      GLN  35  10.087   2.004  -6.465
  262    HG2  GLN  35           1HG      GLN  35  10.904  -0.319  -6.119
  263    HG3  GLN  35           2HG      GLN  35  10.774  -0.109  -4.374
  264   HE21  GLN  35          1HE2      GLN  35   9.397  -2.217  -5.149
  265   HE22  GLN  35          2HE2      GLN  35   7.680  -1.864  -5.291
  Start of MODEL   16
    1    H1   GLY   1           1H       GLY   1 -16.397  -8.836  -2.072
    2    H2   GLY   1           2H       GLY   1 -15.440  -9.613  -0.997
    3    H3   GLY   1           3H       GLY   1 -16.992 -10.092  -1.204
    4    HA2  GLY   1           1HA      GLY   1 -15.500 -11.634  -2.293
    5    HA3  GLY   1           2HA      GLY   1 -16.560 -10.807  -3.449
    6    H    SER   2           H        SER   2 -14.120 -12.016  -4.158
    7    HA   SER   2           HA       SER   2 -12.016 -10.001  -4.359
    8    HB2  SER   2           1HB      SER   2 -12.185 -12.773  -5.584
    9    HB3  SER   2           2HB      SER   2 -10.732 -11.771  -5.412
   10    HG   SER   2           HG       SER   2 -10.920 -13.334  -3.733
   11    H    SER   3           H        SER   3 -14.751 -10.512  -6.277
   12    HA   SER   3           HA       SER   3 -13.656 -10.368  -8.901
   13    HB2  SER   3           1HB      SER   3 -16.461  -9.640  -7.990
   14    HB3  SER   3           2HB      SER   3 -15.956 -10.095  -9.628
   15    HG   SER   3           HG       SER   3 -16.868 -11.870  -8.495
   16    H    GLY   4           H        GLY   4 -14.226  -7.779  -6.650
   17    HA2  GLY   4           1HA      GLY   4 -12.983  -5.772  -8.122
   18    HA3  GLY   4           2HA      GLY   4 -14.695  -5.626  -8.526
   19    H    SER   5           H        SER   5 -13.270  -3.606  -7.273
   20    HA   SER   5           HA       SER   5 -13.165  -2.175  -5.529
   21    HB2  SER   5           1HB      SER   5 -15.939  -3.227  -4.913
   22    HB3  SER   5           2HB      SER   5 -15.252  -1.685  -4.371
   23    HG   SER   5           HG       SER   5 -16.543  -1.454  -6.265
   24    H    SER   6           H        SER   6 -12.044  -4.819  -4.945
   25    HA   SER   6           HA       SER   6 -12.676  -5.580  -2.261
   26    HB2  SER   6           1HB      SER   6 -10.222  -6.335  -3.876
   27    HB3  SER   6           2HB      SER   6 -10.966  -7.252  -2.556
   28    HG   SER   6           HG       SER   6 -12.778  -7.609  -3.881
   29    H    GLY   7           H        GLY   7 -10.688  -3.026  -3.280
   30    HA2  GLY   7           1HA      GLY   7  -9.452  -1.525  -1.972
   31    HA3  GLY   7           2HA      GLY   7  -9.436  -2.658  -0.626
   32    H    TYR   8           H        TYR   8  -7.181  -1.260  -1.299
   33    HA   TYR   8           HA       TYR   8  -5.379  -2.991  -2.913
   34    HB2  TYR   8           1HB      TYR   8  -4.865  -0.302  -1.601
   35    HB3  TYR   8           2HB      TYR   8  -3.798  -1.147  -2.705
   36    HD1  TYR   8           2HD      TYR   8  -6.940   0.797  -2.432
   37    HD2  TYR   8           1HD      TYR   8  -4.216  -1.206  -5.115
   38    HE1  TYR   8           2HE      TYR   8  -8.028   1.915  -4.378
   39    HE2  TYR   8           1HE      TYR   8  -5.296  -0.078  -7.053
   40    HH   TYR   8           HH       TYR   8  -6.927   1.376  -7.747
   41    H    VAL   9           H        VAL   9  -3.603  -4.107  -1.981
   42    HA   VAL   9           HA       VAL   9  -3.386  -4.030   0.988
   43    HB   VAL   9           HB       VAL   9  -3.565  -6.584  -0.640
   44   HG11  VAL   9          1HG1      VAL   9  -2.153  -6.886   1.307
   45   HG12  VAL   9          2HG1      VAL   9  -3.311  -6.050   2.355
   46   HG13  VAL   9          3HG1      VAL   9  -3.710  -7.632   1.648
   47   HG21  VAL   9          3HG2      VAL   9  -5.577  -5.348   1.287
   48   HG22  VAL   9          1HG2      VAL   9  -5.804  -5.566  -0.465
   49   HG23  VAL   9          2HG2      VAL   9  -5.688  -6.976   0.586
   50    H    CYS  10           H        CYS  10  -1.454  -4.293   1.873
   51    HA   CYS  10           HA       CYS  10   0.963  -3.908   0.427
   52    HB2  CYS  10           1HB      CYS  10   0.429  -3.251   2.758
   53    HB3  CYS  10           2HB      CYS  10   0.467  -4.956   3.230
   54    H    ALA  11           H        ALA  11   2.428  -5.215  -0.435
   55    HA   ALA  11           HA       ALA  11   1.895  -8.096  -0.644
   56    HB1  ALA  11           1HB      ALA  11   4.128  -6.378  -1.805
   57    HB2  ALA  11           2HB      ALA  11   3.763  -8.061  -2.234
   58    HB3  ALA  11           3HB      ALA  11   2.593  -6.783  -2.607
   59    H    LEU  12           H        LEU  12   3.403  -6.215   1.679
   60    HA   LEU  12           HA       LEU  12   5.518  -8.225   2.327
   61    HB2  LEU  12           1HB      LEU  12   5.300  -5.327   3.207
   62    HB3  LEU  12           2HB      LEU  12   6.601  -6.453   3.519
   63    HG   LEU  12           HG       LEU  12   6.924  -6.527   0.927
   64   HD11  LEU  12          1HD1      LEU  12   4.926  -5.277   0.151
   65   HD12  LEU  12          2HD1      LEU  12   6.371  -4.341  -0.184
   66   HD13  LEU  12          3HD1      LEU  12   5.346  -3.915   1.199
   67   HD21  LEU  12          3HD2      LEU  12   8.333  -4.500   1.088
   68   HD22  LEU  12          1HD2      LEU  12   8.429  -5.464   2.577
   69   HD23  LEU  12          2HD2      LEU  12   7.411  -4.012   2.529
   70    H    CYS  13           H        CYS  13   3.229  -6.052   3.970
   71    HA   CYS  13           HA       CYS  13   3.076  -7.971   6.251
   72    HB2  CYS  13           1HB      CYS  13   2.521  -6.247   7.729
   73    HB3  CYS  13           2HB      CYS  13   3.995  -5.850   6.867
   74    H    LEU  14           H        LEU  14   1.220  -7.270   3.626
   75    HA   LEU  14           HA       LEU  14  -0.899  -7.684   2.995
   76    HB2  LEU  14           1HB      LEU  14  -0.486  -9.784   5.105
   77    HB3  LEU  14           2HB      LEU  14  -1.974  -9.689   4.177
   78    HG   LEU  14           HG       LEU  14  -0.771  -9.922   2.061
   79   HD11  LEU  14          1HD1      LEU  14   1.463  -9.075   2.483
   80   HD12  LEU  14          2HD1      LEU  14   1.592 -10.778   2.074
   81   HD13  LEU  14          3HD1      LEU  14   1.726 -10.275   3.774
   82   HD21  LEU  14          3HD2      LEU  14  -1.658 -11.886   3.266
   83   HD22  LEU  14          1HD2      LEU  14  -0.099 -12.082   4.101
   84   HD23  LEU  14          2HD2      LEU  14  -0.208 -12.294   2.338
   85    H    LYS  15           H        LYS  15  -0.633  -5.521   4.872
   86    HA   LYS  15           HA       LYS  15  -3.252  -5.208   6.165
   87    HB2  LYS  15           1HB      LYS  15  -1.105  -4.256   7.005
   88    HB3  LYS  15           2HB      LYS  15  -1.015  -3.276   5.526
   89    HG2  LYS  15           1HG      LYS  15  -2.973  -1.998   6.165
   90    HG3  LYS  15           2HG      LYS  15  -3.343  -3.100   7.498
   91    HD2  LYS  15           1HD      LYS  15  -0.849  -1.347   7.353
   92    HD3  LYS  15           2HD      LYS  15  -2.346  -0.912   8.195
   93    HE2  LYS  15           1HE      LYS  15  -2.123  -2.996   9.587
   94    HE3  LYS  15           2HE      LYS  15  -0.558  -3.305   8.824
   95    HZ1  LYS  15           3HZ      LYS  15  -1.226  -0.897  10.435
   96    HZ2  LYS  15           1HZ      LYS  15   0.224  -1.177   9.730
   97    HZ3  LYS  15           2HZ      LYS  15  -0.300  -2.141  10.936
   98    H    LYS  16           H        LYS  16  -4.983  -4.017   5.412
   99    HA   LYS  16           HA       LYS  16  -5.037  -3.373   2.534
  100    HB2  LYS  16           1HB      LYS  16  -6.684  -4.910   3.535
  101    HB3  LYS  16           2HB      LYS  16  -7.313  -3.594   4.533
  102    HG2  LYS  16           1HG      LYS  16  -8.050  -2.363   2.571
  103    HG3  LYS  16           2HG      LYS  16  -7.247  -3.498   1.479
  104    HD2  LYS  16           1HD      LYS  16  -9.537  -4.231   3.346
  105    HD3  LYS  16           2HD      LYS  16  -9.720  -3.774   1.641
  106    HE2  LYS  16           1HE      LYS  16  -8.098  -5.677   1.078
  107    HE3  LYS  16           2HE      LYS  16  -8.270  -6.213   2.757
  108    HZ1  LYS  16           3HZ      LYS  16  -9.847  -7.364   1.345
  109    HZ2  LYS  16           1HZ      LYS  16 -10.439  -5.961   0.748
  110    HZ3  LYS  16           2HZ      LYS  16 -10.704  -6.370   2.322
  111    H    PHE  17           H        PHE  17  -5.717  -1.501   1.639
  112    HA   PHE  17           HA       PHE  17  -5.782   0.991   3.277
  113    HB2  PHE  17           1HB      PHE  17  -4.098   0.369   0.818
  114    HB3  PHE  17           2HB      PHE  17  -4.312   1.982   1.481
  115    HD1  PHE  17           2HD      PHE  17  -3.397   2.612   3.693
  116    HD2  PHE  17           1HD      PHE  17  -2.662  -1.273   1.962
  117    HE1  PHE  17           2HE      PHE  17  -1.631   2.188   5.388
  118    HE2  PHE  17           1HE      PHE  17  -0.898  -1.686   3.655
  119    HZ   PHE  17           HZ       PHE  17  -0.416   0.021   5.391
  120    H    VAL  18           H        VAL  18  -6.749   2.770   2.379
  121    HA   VAL  18           HA       VAL  18  -9.077   2.390   0.753
  122    HB   VAL  18           HB       VAL  18  -9.023   4.011   2.524
  123   HG11  VAL  18          1HG1      VAL  18  -6.973   5.599   0.929
  124   HG12  VAL  18          2HG1      VAL  18  -7.754   6.099   2.440
  125   HG13  VAL  18          3HG1      VAL  18  -6.650   4.725   2.453
  126   HG21  VAL  18          3HG2      VAL  18  -9.188   5.598  -0.066
  127   HG22  VAL  18          1HG2      VAL  18 -10.481   4.530   0.546
  128   HG23  VAL  18          2HG2      VAL  18  -9.975   5.956   1.476
  129    H    SER  19           H        SER  19  -5.804   3.471  -0.095
  130    HA   SER  19           HA       SER  19  -6.554   3.371  -2.947
  131    HB2  SER  19           1HB      SER  19  -5.902   5.486  -3.536
  132    HB3  SER  19           2HB      SER  19  -6.725   5.790  -2.005
  133    HG   SER  19           HG       SER  19  -4.787   6.890  -2.048
  134    H    SER  20           H        SER  20  -4.744   3.281  -4.413
  135    HA   SER  20           HA       SER  20  -2.508   1.695  -3.579
  136    HB2  SER  20           1HB      SER  20  -1.630   2.260  -5.849
  137    HB3  SER  20           2HB      SER  20  -3.278   1.610  -5.852
  138    HG   SER  20           HG       SER  20  -3.097   3.456  -7.201
  139    H    ILE  21           H        ILE  21  -3.017   5.204  -3.710
  140    HA   ILE  21           HA       ILE  21  -0.209   5.917  -3.441
  141    HB   ILE  21           HB       ILE  21  -2.821   7.410  -3.237
  142   HG12  ILE  21          1HG1      ILE  21  -1.771   8.834  -4.957
  143   HG13  ILE  21          2HG1      ILE  21  -0.288   7.884  -4.876
  144   HG21  ILE  21          1HG2      ILE  21  -0.114   8.500  -2.375
  145   HG22  ILE  21          2HG2      ILE  21  -1.543   9.499  -2.734
  146   HG23  ILE  21          3HG2      ILE  21  -1.589   8.373  -1.384
  147   HD11  ILE  21          3HD1      ILE  21  -1.415   5.957  -5.860
  148   HD12  ILE  21          1HD1      ILE  21  -2.994   6.779  -5.747
  149   HD13  ILE  21          2HD1      ILE  21  -1.742   7.384  -6.849
  150    H    ARG  22           H        ARG  22  -2.892   5.498  -1.057
  151    HA   ARG  22           HA       ARG  22  -1.239   6.141   1.238
  152    HB2  ARG  22           1HB      ARG  22  -3.610   4.230   1.214
  153    HB3  ARG  22           2HB      ARG  22  -2.903   5.047   2.599
  154    HG2  ARG  22           1HG      ARG  22  -4.747   6.116   0.503
  155    HG3  ARG  22           2HG      ARG  22  -4.825   6.237   2.258
  156    HD2  ARG  22           1HD      ARG  22  -2.914   7.863   2.155
  157    HD3  ARG  22           2HD      ARG  22  -3.064   7.807   0.374
  158    HE   ARG  22           HE       ARG  22  -5.619   8.379   1.427
  159   HH11  ARG  22          2HH1      ARG  22  -2.530  10.019   1.216
  160   HH12  ARG  22          1HH1      ARG  22  -3.266  11.598   1.208
  161   HH21  ARG  22          2HH2      ARG  22  -6.491  10.424   1.419
  162   HH22  ARG  22          1HH2      ARG  22  -5.450  11.812   1.323
  163    H    LEU  23           H        LEU  23  -1.817   3.108  -0.499
  164    HA   LEU  23           HA       LEU  23  -0.287   1.413   1.231
  165    HB2  LEU  23           1HB      LEU  23  -1.902   0.453  -0.227
  166    HB3  LEU  23           2HB      LEU  23  -1.248   1.277  -1.639
  167    HG   LEU  23           HG       LEU  23   0.756  -0.092  -1.602
  168   HD11  LEU  23          1HD1      LEU  23   0.842  -0.551   0.898
  169   HD12  LEU  23          2HD1      LEU  23   1.075  -1.943  -0.136
  170   HD13  LEU  23          3HD1      LEU  23  -0.497  -1.686   0.670
  171   HD21  LEU  23          3HD2      LEU  23  -1.205  -0.877  -2.857
  172   HD22  LEU  23          1HD2      LEU  23  -1.784  -1.752  -1.418
  173   HD23  LEU  23          2HD2      LEU  23  -0.271  -2.238  -2.214
  174    H    ARG  24           H        ARG  24   0.628   3.171  -1.816
  175    HA   ARG  24           HA       ARG  24   3.317   2.268  -1.951
  176    HB2  ARG  24           1HB      ARG  24   1.962   4.859  -2.778
  177    HB3  ARG  24           2HB      ARG  24   3.682   4.605  -3.053
  178    HG2  ARG  24           1HG      ARG  24   3.357   2.827  -4.577
  179    HG3  ARG  24           2HG      ARG  24   1.703   2.540  -4.050
  180    HD2  ARG  24           1HD      ARG  24   1.623   3.624  -6.196
  181    HD3  ARG  24           2HD      ARG  24   1.015   4.737  -4.958
  182    HE   ARG  24           HE       ARG  24   3.824   5.179  -5.369
  183   HH11  ARG  24          2HH1      ARG  24   0.817   5.749  -7.070
  184   HH12  ARG  24          1HH1      ARG  24   1.439   7.155  -7.890
  185   HH21  ARG  24          2HH2      ARG  24   4.556   6.981  -6.449
  186   HH22  ARG  24          1HH2      ARG  24   3.505   7.821  -7.550
  187    H    SER  25           H        SER  25   2.126   5.280  -0.479
  188    HA   SER  25           HA       SER  25   4.564   6.087   0.713
  189    HB2  SER  25           1HB      SER  25   1.657   6.626   1.364
  190    HB3  SER  25           2HB      SER  25   2.998   7.431   2.224
  191    HG   SER  25           HG       SER  25   2.255   8.648   0.413
  192    H    HIS  26           H        HIS  26   2.045   3.898   2.087
  193    HA   HIS  26           HA       HIS  26   3.201   3.573   4.674
  194    HB2  HIS  26           1HB      HIS  26   1.078   2.650   4.443
  195    HB3  HIS  26           2HB      HIS  26   1.427   1.899   2.901
  196    HD1  HIS  26           1HD      HIS  26   1.927   1.235   6.631
  197    HD2  HIS  26           2HD      HIS  26   2.576  -0.530   2.869
  198    HE1  HIS  26           1HE      HIS  26   2.479  -1.200   7.093
  199    H    ILE  27           H        ILE  27   3.947   1.818   1.590
  200    HA   ILE  27           HA       ILE  27   5.819   0.050   2.848
  201    HB   ILE  27           HB       ILE  27   5.784   0.935  -0.058
  202   HG12  ILE  27          1HG1      ILE  27   4.579  -1.619   1.107
  203   HG13  ILE  27          2HG1      ILE  27   3.626  -0.181   0.827
  204   HG21  ILE  27          1HG2      ILE  27   7.052  -1.123  -0.488
  205   HG22  ILE  27          2HG2      ILE  27   7.924  -0.151   0.687
  206   HG23  ILE  27          3HG2      ILE  27   6.976  -1.560   1.227
  207   HD11  ILE  27          3HD1      ILE  27   3.334  -1.633  -1.054
  208   HD12  ILE  27          1HD1      ILE  27   4.257  -0.210  -1.583
  209   HD13  ILE  27          2HD1      ILE  27   5.079  -1.767  -1.308
  210    H    ARG  28           H        ARG  28   6.290   3.288   1.384
  211    HA   ARG  28           HA       ARG  28   9.178   3.240   1.714
  212    HB2  ARG  28           1HB      ARG  28   7.497   5.750   1.712
  213    HB3  ARG  28           2HB      ARG  28   9.176   5.551   1.222
  214    HG2  ARG  28           1HG      ARG  28   6.681   4.643  -0.226
  215    HG3  ARG  28           2HG      ARG  28   7.789   5.891  -0.741
  216    HD2  ARG  28           1HD      ARG  28   8.540   2.936  -0.546
  217    HD3  ARG  28           2HD      ARG  28   7.846   3.695  -1.978
  218    HE   ARG  28           HE       ARG  28  10.259   5.021  -0.933
  219   HH11  ARG  28          2HH1      ARG  28   9.135   2.593  -3.257
  220   HH12  ARG  28          1HH1      ARG  28  10.589   2.851  -4.236
  221   HH21  ARG  28          2HH2      ARG  28  12.041   5.174  -2.356
  222   HH22  ARG  28          1HH2      ARG  28  12.027   4.131  -3.784
  223    H    GLU  29           H        GLU  29   6.558   4.518   3.864
  224    HA   GLU  29           HA       GLU  29   8.291   5.618   5.780
  225    HB2  GLU  29           1HB      GLU  29   6.020   6.340   5.139
  226    HB3  GLU  29           2HB      GLU  29   5.342   4.800   5.712
  227    HG2  GLU  29           1HG      GLU  29   6.040   5.265   7.936
  228    HG3  GLU  29           2HG      GLU  29   6.926   6.709   7.397
  229    H    VAL  30           H        VAL  30   6.592   2.467   5.586
  230    HA   VAL  30           HA       VAL  30   7.534   1.758   8.313
  231    HB   VAL  30           HB       VAL  30   5.394   0.443   6.598
  232   HG11  VAL  30          1HG1      VAL  30   6.059   0.146   9.556
  233   HG12  VAL  30          2HG1      VAL  30   4.623  -0.526   8.755
  234   HG13  VAL  30          3HG1      VAL  30   6.222  -1.105   8.302
  235   HG21  VAL  30          3HG2      VAL  30   3.800   1.585   8.167
  236   HG22  VAL  30          1HG2      VAL  30   5.166   2.490   8.853
  237   HG23  VAL  30          2HG2      VAL  30   4.691   2.722   7.155
  238    H    HIS  31           H        HIS  31   7.829   0.602   4.968
  239    HA   HIS  31           HA       HIS  31   9.472  -1.700   5.969
  240    HB2  HIS  31           1HB      HIS  31   8.124  -1.352   3.281
  241    HB3  HIS  31           2HB      HIS  31   9.017  -2.758   3.841
  242    HD1  HIS  31           1HD      HIS  31   7.765  -3.498   6.535
  243    HD2  HIS  31           2HD      HIS  31   5.634  -2.038   3.229
  244    HE1  HIS  31           1HE      HIS  31   5.379  -4.306   6.835
  245    H    GLY  32           H        GLY  32   9.760   1.320   4.316
  246    HA2  GLY  32           1HA      GLY  32  11.585   2.451   3.558
  247    HA3  GLY  32           2HA      GLY  32  12.586   1.308   4.464
  248    H    ALA  33           H        ALA  33  10.498   0.450   1.695
  249    HA   ALA  33           HA       ALA  33  12.464  -0.990   0.313
  250    HB1  ALA  33           1HB      ALA  33   9.894   0.277  -0.727
  251    HB2  ALA  33           2HB      ALA  33  10.825  -1.004  -1.531
  252    HB3  ALA  33           3HB      ALA  33  10.049  -1.331   0.029
  253    H    ALA  34           H        ALA  34  14.063  -0.421  -0.817
  254    HA   ALA  34           HA       ALA  34  14.680   2.350  -1.469
  255    HB1  ALA  34           1HB      ALA  34  16.940   1.491  -1.852
  256    HB2  ALA  34           2HB      ALA  34  16.278   0.842  -0.342
  257    HB3  ALA  34           3HB      ALA  34  16.340  -0.180  -1.799
  258    H    GLN  35           H        GLN  35  12.780   0.529  -3.217
  259    HA   GLN  35           HA       GLN  35  13.964   0.432  -5.857
  260    HB2  GLN  35           1HB      GLN  35  11.074   0.197  -4.922
  261    HB3  GLN  35           2HB      GLN  35  11.633  -0.089  -6.576
  262    HG2  GLN  35           1HG      GLN  35  13.144  -1.894  -5.754
  263    HG3  GLN  35           2HG      GLN  35  12.528  -1.661  -4.117
  264   HE21  GLN  35          1HE2      GLN  35  12.264  -4.179  -4.906
  265   HE22  GLN  35          2HE2      GLN  35  10.619  -4.527  -5.427
  Start of MODEL   17
    1    H1   GLY   1           1H       GLY   1 -21.185  -7.139 -11.849
    2    H2   GLY   1           2H       GLY   1 -22.777  -7.109 -12.233
    3    H3   GLY   1           3H       GLY   1 -22.031  -8.538 -11.950
    4    HA2  GLY   1           1HA      GLY   1 -23.390  -7.929 -10.060
    5    HA3  GLY   1           2HA      GLY   1 -21.668  -7.989  -9.644
    6    H    SER   2           H        SER   2 -23.947  -6.441  -8.456
    7    HA   SER   2           HA       SER   2 -23.614  -3.659  -9.177
    8    HB2  SER   2           1HB      SER   2 -24.972  -4.876  -6.748
    9    HB3  SER   2           2HB      SER   2 -25.219  -3.245  -7.391
   10    HG   SER   2           HG       SER   2 -26.105  -4.157  -9.271
   11    H    SER   3           H        SER   3 -21.791  -5.637  -7.012
   12    HA   SER   3           HA       SER   3 -21.172  -3.769  -4.962
   13    HB2  SER   3           1HB      SER   3 -19.503  -6.108  -5.957
   14    HB3  SER   3           2HB      SER   3 -19.350  -5.293  -4.389
   15    HG   SER   3           HG       SER   3 -20.619  -7.207  -4.248
   16    H    GLY   4           H        GLY   4 -19.407  -2.468  -4.543
   17    HA2  GLY   4           1HA      GLY   4 -18.014  -1.206  -6.771
   18    HA3  GLY   4           2HA      GLY   4 -17.818  -0.856  -5.058
   19    H    SER   5           H        SER   5 -15.609  -0.762  -6.523
   20    HA   SER   5           HA       SER   5 -14.105  -3.157  -6.856
   21    HB2  SER   5           1HB      SER   5 -13.100  -0.328  -6.380
   22    HB3  SER   5           2HB      SER   5 -12.163  -1.677  -7.048
   23    HG   SER   5           HG       SER   5 -13.026  -0.314  -8.693
   24    H    SER   6           H        SER   6 -12.402  -4.070  -5.677
   25    HA   SER   6           HA       SER   6 -12.655  -4.033  -2.782
   26    HB2  SER   6           1HB      SER   6 -10.844  -5.751  -2.905
   27    HB3  SER   6           2HB      SER   6 -12.292  -6.129  -3.851
   28    HG   SER   6           HG       SER   6 -10.351  -6.524  -5.027
   29    H    GLY   7           H        GLY   7 -10.895  -3.745  -1.291
   30    HA2  GLY   7           1HA      GLY   7  -9.398  -1.295  -1.660
   31    HA3  GLY   7           2HA      GLY   7  -9.321  -2.374  -0.273
   32    H    TYR   8           H        TYR   8  -7.102  -1.082  -1.254
   33    HA   TYR   8           HA       TYR   8  -5.465  -2.952  -2.875
   34    HB2  TYR   8           1HB      TYR   8  -4.781  -0.262  -1.622
   35    HB3  TYR   8           2HB      TYR   8  -3.789  -1.171  -2.752
   36    HD1  TYR   8           2HD      TYR   8  -6.844   0.894  -2.391
   37    HD2  TYR   8           1HD      TYR   8  -4.307  -1.253  -5.144
   38    HE1  TYR   8           2HE      TYR   8  -7.983   2.006  -4.301
   39    HE2  TYR   8           1HE      TYR   8  -5.447  -0.130  -7.058
   40    HH   TYR   8           HH       TYR   8  -8.103   2.230  -6.580
   41    H    VAL   9           H        VAL   9  -3.576  -4.062  -1.975
   42    HA   VAL   9           HA       VAL   9  -3.398  -4.012   1.003
   43    HB   VAL   9           HB       VAL   9  -3.518  -6.538  -0.670
   44   HG11  VAL   9          1HG1      VAL   9  -2.071  -6.875   1.235
   45   HG12  VAL   9          2HG1      VAL   9  -3.203  -6.064   2.331
   46   HG13  VAL   9          3HG1      VAL   9  -3.614  -7.635   1.606
   47   HG21  VAL   9          3HG2      VAL   9  -5.773  -5.547  -0.421
   48   HG22  VAL   9          1HG2      VAL   9  -5.614  -7.002   0.560
   49   HG23  VAL   9          2HG2      VAL   9  -5.520  -5.407   1.333
   50    H    CYS  10           H        CYS  10  -1.512  -4.213   1.924
   51    HA   CYS  10           HA       CYS  10   0.959  -3.739   0.607
   52    HB2  CYS  10           1HB      CYS  10   0.228  -3.155   2.925
   53    HB3  CYS  10           2HB      CYS  10   0.363  -4.865   3.359
   54    H    ALA  11           H        ALA  11   2.342  -5.038  -0.402
   55    HA   ALA  11           HA       ALA  11   1.981  -7.953  -0.429
   56    HB1  ALA  11           1HB      ALA  11   4.014  -6.151  -1.808
   57    HB2  ALA  11           2HB      ALA  11   3.756  -7.879  -2.131
   58    HB3  ALA  11           3HB      ALA  11   2.472  -6.708  -2.492
   59    H    LEU  12           H        LEU  12   3.480  -5.846   1.667
   60    HA   LEU  12           HA       LEU  12   5.875  -7.480   2.287
   61    HB2  LEU  12           1HB      LEU  12   4.979  -4.834   3.407
   62    HB3  LEU  12           2HB      LEU  12   6.529  -5.580   3.612
   63    HG   LEU  12           HG       LEU  12   6.654  -3.706   2.179
   64   HD11  LEU  12          1HD1      LEU  12   8.142  -5.549   1.785
   65   HD12  LEU  12          2HD1      LEU  12   7.802  -4.599   0.305
   66   HD13  LEU  12          3HD1      LEU  12   7.000  -6.200   0.577
   67   HD21  LEU  12          3HD2      LEU  12   4.372  -3.774   1.052
   68   HD22  LEU  12          1HD2      LEU  12   5.036  -5.024  -0.019
   69   HD23  LEU  12          2HD2      LEU  12   5.754  -3.425   0.006
   70    H    CYS  13           H        CYS  13   3.138  -5.991   3.844
   71    HA   CYS  13           HA       CYS  13   3.184  -7.971   6.091
   72    HB2  CYS  13           1HB      CYS  13   2.674  -6.415   7.717
   73    HB3  CYS  13           2HB      CYS  13   4.057  -5.849   6.808
   74    H    LEU  14           H        LEU  14   1.199  -7.176   3.575
   75    HA   LEU  14           HA       LEU  14  -0.922  -7.635   3.013
   76    HB2  LEU  14           1HB      LEU  14  -0.433  -9.775   5.063
   77    HB3  LEU  14           2HB      LEU  14  -1.936  -9.672   4.160
   78    HG   LEU  14           HG       LEU  14  -0.753  -9.828   2.019
   79   HD11  LEU  14          1HD1      LEU  14   1.492  -8.999   2.440
   80   HD12  LEU  14          2HD1      LEU  14   1.610 -10.688   1.986
   81   HD13  LEU  14          3HD1      LEU  14   1.761 -10.231   3.699
   82   HD21  LEU  14          3HD2      LEU  14  -0.186 -12.206   2.219
   83   HD22  LEU  14          1HD2      LEU  14  -1.627 -11.827   3.171
   84   HD23  LEU  14          2HD2      LEU  14  -0.062 -12.048   3.986
   85    H    LYS  15           H        LYS  15  -0.631  -5.497   4.920
   86    HA   LYS  15           HA       LYS  15  -3.252  -5.204   6.215
   87    HB2  LYS  15           1HB      LYS  15  -1.145  -4.180   7.060
   88    HB3  LYS  15           2HB      LYS  15  -1.038  -3.256   5.543
   89    HG2  LYS  15           1HG      LYS  15  -3.029  -1.979   6.107
   90    HG3  LYS  15           2HG      LYS  15  -3.395  -3.048   7.476
   91    HD2  LYS  15           1HD      LYS  15  -1.387  -2.272   8.658
   92    HD3  LYS  15           2HD      LYS  15  -0.939  -1.247   7.276
   93    HE2  LYS  15           1HE      LYS  15  -3.033   0.041   7.523
   94    HE3  LYS  15           2HE      LYS  15  -3.550  -1.014   8.844
   95    HZ1  LYS  15           3HZ      LYS  15  -1.161   0.754   8.926
   96    HZ2  LYS  15           1HZ      LYS  15  -1.641  -0.232  10.140
   97    HZ3  LYS  15           2HZ      LYS  15  -2.571   1.030   9.697
   98    H    LYS  16           H        LYS  16  -5.006  -4.052   5.456
   99    HA   LYS  16           HA       LYS  16  -5.091  -3.440   2.567
  100    HB2  LYS  16           1HB      LYS  16  -6.707  -4.983   3.649
  101    HB3  LYS  16           2HB      LYS  16  -7.359  -3.628   4.576
  102    HG2  LYS  16           1HG      LYS  16  -8.069  -2.506   2.511
  103    HG3  LYS  16           2HG      LYS  16  -7.314  -3.757   1.519
  104    HD2  LYS  16           1HD      LYS  16  -9.584  -4.241   3.493
  105    HD3  LYS  16           2HD      LYS  16  -9.803  -3.962   1.758
  106    HE2  LYS  16           1HE      LYS  16  -8.448  -5.971   1.243
  107    HE3  LYS  16           2HE      LYS  16  -8.211  -6.268   2.969
  108    HZ1  LYS  16           3HZ      LYS  16 -10.034  -7.604   2.094
  109    HZ2  LYS  16           1HZ      LYS  16 -10.849  -6.281   1.599
  110    HZ3  LYS  16           2HZ      LYS  16 -10.618  -6.551   3.194
  111    H    PHE  17           H        PHE  17  -5.783  -1.585   1.656
  112    HA   PHE  17           HA       PHE  17  -5.916   0.928   3.253
  113    HB2  PHE  17           1HB      PHE  17  -4.173   0.302   0.835
  114    HB3  PHE  17           2HB      PHE  17  -4.459   1.927   1.435
  115    HD1  PHE  17           2HD      PHE  17  -3.649   2.649   3.666
  116    HD2  PHE  17           1HD      PHE  17  -2.662  -1.219   2.026
  117    HE1  PHE  17           2HE      PHE  17  -1.884   2.370   5.389
  118    HE2  PHE  17           1HE      PHE  17  -0.909  -1.495   3.760
  119    HZ   PHE  17           HZ       PHE  17  -0.542   0.280   5.454
  120    H    VAL  18           H        VAL  18  -6.937   2.648   2.341
  121    HA   VAL  18           HA       VAL  18  -9.214   2.151   0.653
  122    HB   VAL  18           HB       VAL  18  -9.215   3.676   2.556
  123   HG11  VAL  18          1HG1      VAL  18  -8.210   5.901   2.479
  124   HG12  VAL  18          2HG1      VAL  18  -6.953   4.670   2.375
  125   HG13  VAL  18          3HG1      VAL  18  -7.459   5.552   0.914
  126   HG21  VAL  18          3HG2      VAL  18  -9.784   5.267   0.033
  127   HG22  VAL  18          1HG2      VAL  18 -10.864   4.029   0.727
  128   HG23  VAL  18          2HG2      VAL  18 -10.479   5.499   1.646
  129    H    SER  19           H        SER  19  -5.989   3.271  -0.088
  130    HA   SER  19           HA       SER  19  -6.673   3.639  -2.950
  131    HB2  SER  19           1HB      SER  19  -6.981   5.855  -2.082
  132    HB3  SER  19           2HB      SER  19  -5.474   5.774  -1.163
  133    HG   SER  19           HG       SER  19  -5.447   6.930  -3.261
  134    H    SER  20           H        SER  20  -4.918   3.456  -4.358
  135    HA   SER  20           HA       SER  20  -2.711   1.791  -3.594
  136    HB2  SER  20           1HB      SER  20  -1.874   2.315  -5.878
  137    HB3  SER  20           2HB      SER  20  -3.549   1.744  -5.848
  138    HG   SER  20           HG       SER  20  -3.342   3.565  -7.200
  139    H    ILE  21           H        ILE  21  -3.091   5.331  -3.770
  140    HA   ILE  21           HA       ILE  21  -0.274   5.962  -3.543
  141    HB   ILE  21           HB       ILE  21  -2.837   7.496  -3.056
  142   HG12  ILE  21          1HG1      ILE  21  -1.946   8.961  -4.831
  143   HG13  ILE  21          2HG1      ILE  21  -0.481   7.988  -4.942
  144   HG21  ILE  21          1HG2      ILE  21  -0.021   8.487  -2.457
  145   HG22  ILE  21          2HG2      ILE  21  -1.446   9.538  -2.631
  146   HG23  ILE  21          3HG2      ILE  21  -1.383   8.366  -1.319
  147   HD11  ILE  21          3HD1      ILE  21  -2.147   7.598  -6.771
  148   HD12  ILE  21          1HD1      ILE  21  -1.731   6.126  -5.887
  149   HD13  ILE  21          2HD1      ILE  21  -3.281   6.952  -5.568
  150    H    ARG  22           H        ARG  22  -2.837   5.490  -1.108
  151    HA   ARG  22           HA       ARG  22  -1.208   6.067   1.220
  152    HB2  ARG  22           1HB      ARG  22  -3.685   4.312   0.931
  153    HB3  ARG  22           2HB      ARG  22  -3.006   4.857   2.455
  154    HG2  ARG  22           1HG      ARG  22  -4.115   6.746   0.318
  155    HG3  ARG  22           2HG      ARG  22  -5.026   6.099   1.674
  156    HD2  ARG  22           1HD      ARG  22  -4.425   8.208   2.395
  157    HD3  ARG  22           2HD      ARG  22  -3.294   7.126   3.216
  158    HE   ARG  22           HE       ARG  22  -2.446   8.416   0.668
  159   HH11  ARG  22          2HH1      ARG  22  -2.152   8.486   4.159
  160   HH12  ARG  22          1HH1      ARG  22  -0.725   9.483   4.110
  161   HH21  ARG  22          2HH2      ARG  22  -0.611   9.691   0.684
  162   HH22  ARG  22          1HH2      ARG  22   0.106  10.145   2.198
  163    H    LEU  23           H        LEU  23  -1.851   3.074  -0.568
  164    HA   LEU  23           HA       LEU  23  -0.271   1.330   1.082
  165    HB2  LEU  23           1HB      LEU  23  -1.891   0.371  -0.346
  166    HB3  LEU  23           2HB      LEU  23  -1.344   1.281  -1.748
  167    HG   LEU  23           HG       LEU  23   0.706  -0.032  -1.895
  168   HD11  LEU  23          1HD1      LEU  23   1.008  -0.628   0.521
  169   HD12  LEU  23          2HD1      LEU  23   1.053  -2.019  -0.555
  170   HD13  LEU  23          3HD1      LEU  23  -0.411  -1.680   0.411
  171   HD21  LEU  23          3HD2      LEU  23  -1.769  -1.777  -1.658
  172   HD22  LEU  23          1HD2      LEU  23  -0.300  -2.154  -2.578
  173   HD23  LEU  23          2HD2      LEU  23  -1.318  -0.793  -3.074
  174    H    ARG  24           H        ARG  24   0.553   3.106  -1.979
  175    HA   ARG  24           HA       ARG  24   3.200   2.117  -2.218
  176    HB2  ARG  24           1HB      ARG  24   1.868   4.735  -3.038
  177    HB3  ARG  24           2HB      ARG  24   3.546   4.408  -3.455
  178    HG2  ARG  24           1HG      ARG  24   3.023   2.566  -4.854
  179    HG3  ARG  24           2HG      ARG  24   1.386   2.408  -4.212
  180    HD2  ARG  24           1HD      ARG  24   0.822   4.652  -5.161
  181    HD3  ARG  24           2HD      ARG  24   2.439   4.723  -5.891
  182    HE   ARG  24           HE       ARG  24   1.267   2.293  -6.720
  183   HH11  ARG  24          2HH1      ARG  24   0.642   5.699  -7.248
  184   HH12  ARG  24          1HH1      ARG  24  -0.164   5.409  -8.766
  185   HH21  ARG  24          2HH2      ARG  24   0.248   1.998  -8.675
  186   HH22  ARG  24          1HH2      ARG  24  -0.367   3.368  -9.551
  187    H    SER  25           H        SER  25   2.116   5.065  -0.556
  188    HA   SER  25           HA       SER  25   4.767   5.768   0.375
  189    HB2  SER  25           1HB      SER  25   1.961   6.700   1.021
  190    HB3  SER  25           2HB      SER  25   3.408   7.397   1.802
  191    HG   SER  25           HG       SER  25   2.792   8.563  -0.083
  192    H    HIS  26           H        HIS  26   2.124   3.860   1.886
  193    HA   HIS  26           HA       HIS  26   3.175   3.660   4.522
  194    HB2  HIS  26           1HB      HIS  26   1.048   2.721   4.184
  195    HB3  HIS  26           2HB      HIS  26   1.530   1.844   2.751
  196    HD1  HIS  26           1HD      HIS  26   1.793   1.524   6.562
  197    HD2  HIS  26           2HD      HIS  26   2.544  -0.597   3.006
  198    HE1  HIS  26           1HE      HIS  26   2.182  -0.886   7.262
  199    H    ILE  27           H        ILE  27   4.062   1.807   1.567
  200    HA   ILE  27           HA       ILE  27   5.822   0.032   2.921
  201    HB   ILE  27           HB       ILE  27   6.067   0.870   0.012
  202   HG12  ILE  27          1HG1      ILE  27   4.530  -1.530   1.061
  203   HG13  ILE  27          2HG1      ILE  27   3.726  -0.017   0.768
  204   HG21  ILE  27          1HG2      ILE  27   7.156  -1.220  -0.320
  205   HG22  ILE  27          2HG2      ILE  27   8.001  -0.347   0.956
  206   HG23  ILE  27          3HG2      ILE  27   6.896  -1.665   1.384
  207   HD11  ILE  27          3HD1      ILE  27   4.475   0.001  -1.585
  208   HD12  ILE  27          1HD1      ILE  27   5.202  -1.602  -1.350
  209   HD13  ILE  27          2HD1      ILE  27   3.450  -1.397  -1.179
  210    H    ARG  28           H        ARG  28   6.415   3.287   1.661
  211    HA   ARG  28           HA       ARG  28   9.317   3.091   1.990
  212    HB2  ARG  28           1HB      ARG  28   7.834   5.702   1.833
  213    HB3  ARG  28           2HB      ARG  28   9.431   5.287   1.220
  214    HG2  ARG  28           1HG      ARG  28   6.726   4.504   0.115
  215    HG3  ARG  28           2HG      ARG  28   7.867   5.607  -0.634
  216    HD2  ARG  28           1HD      ARG  28   9.295   3.841  -1.314
  217    HD3  ARG  28           2HD      ARG  28   8.532   2.665  -0.218
  218    HE   ARG  28           HE       ARG  28   6.416   3.284  -1.695
  219   HH11  ARG  28          2HH1      ARG  28   9.618   2.254  -2.764
  220   HH12  ARG  28          1HH1      ARG  28   8.982   1.607  -4.254
  221   HH21  ARG  28          2HH2      ARG  28   5.720   2.449  -3.608
  222   HH22  ARG  28          1HH2      ARG  28   6.840   1.687  -4.700
  223    H    GLU  29           H        GLU  29   6.666   4.356   3.944
  224    HA   GLU  29           HA       GLU  29   8.386   5.449   6.027
  225    HB2  GLU  29           1HB      GLU  29   5.407   4.844   5.887
  226    HB3  GLU  29           2HB      GLU  29   6.180   5.627   7.263
  227    HG2  GLU  29           1HG      GLU  29   6.203   6.738   4.420
  228    HG3  GLU  29           2HG      GLU  29   5.067   7.203   5.678
  229    H    VAL  30           H        VAL  30   6.657   2.354   5.635
  230    HA   VAL  30           HA       VAL  30   7.473   1.540   8.383
  231    HB   VAL  30           HB       VAL  30   5.371   0.335   6.549
  232   HG11  VAL  30          1HG1      VAL  30   4.512  -0.700   8.642
  233   HG12  VAL  30          2HG1      VAL  30   6.117  -1.292   8.227
  234   HG13  VAL  30          3HG1      VAL  30   5.929  -0.083   9.517
  235   HG21  VAL  30          3HG2      VAL  30   3.759   1.455   8.124
  236   HG22  VAL  30          1HG2      VAL  30   5.127   2.304   8.868
  237   HG23  VAL  30          2HG2      VAL  30   4.697   2.603   7.170
  238    H    HIS  31           H        HIS  31   7.874   0.487   5.019
  239    HA   HIS  31           HA       HIS  31   9.477  -1.856   5.985
  240    HB2  HIS  31           1HB      HIS  31   8.044  -1.531   3.347
  241    HB3  HIS  31           2HB      HIS  31   8.869  -2.971   3.932
  242    HD1  HIS  31           1HD      HIS  31   7.677  -3.667   6.600
  243    HD2  HIS  31           2HD      HIS  31   5.474  -1.890   3.498
  244    HE1  HIS  31           1HE      HIS  31   5.245  -4.220   7.066
  245    H    GLY  32           H        GLY  32   9.822   1.163   4.472
  246    HA2  GLY  32           1HA      GLY  32  11.723   2.279   3.954
  247    HA3  GLY  32           2HA      GLY  32  12.669   0.864   4.439
  248    H    ALA  33           H        ALA  33  10.339   0.661   1.781
  249    HA   ALA  33           HA       ALA  33  12.441  -0.094  -0.077
  250    HB1  ALA  33           1HB      ALA  33   9.498   0.317  -0.599
  251    HB2  ALA  33           2HB      ALA  33  10.655  -0.602  -1.583
  252    HB3  ALA  33           3HB      ALA  33  10.228  -1.190   0.042
  253    H    ALA  34           H        ALA  34  13.178   2.271   0.547
  254    HA   ALA  34           HA       ALA  34  12.806   3.997  -1.865
  255    HB1  ALA  34           1HB      ALA  34  12.668   5.987  -0.420
  256    HB2  ALA  34           2HB      ALA  34  11.367   4.844  -0.052
  257    HB3  ALA  34           3HB      ALA  34  12.778   4.960   1.028
  258    H    GLN  35           H        GLN  35  15.007   2.162  -0.547
  259    HA   GLN  35           HA       GLN  35  17.302   3.835  -1.320
  260    HB2  GLN  35           1HB      GLN  35  18.574   3.311   0.691
  261    HB3  GLN  35           2HB      GLN  35  17.135   4.251   1.073
  262    HG2  GLN  35           1HG      GLN  35  15.985   2.172   1.841
  263    HG3  GLN  35           2HG      GLN  35  17.431   1.234   1.456
  264   HE21  GLN  35          1HE2      GLN  35  16.208   3.883   3.586
  265   HE22  GLN  35          2HE2      GLN  35  17.421   3.610   4.830
  Start of MODEL   18
    1    H1   GLY   1           1H       GLY   1 -19.999  -5.027  -4.278
    2    H2   GLY   1           2H       GLY   1 -18.874  -6.214  -4.170
    3    H3   GLY   1           3H       GLY   1 -20.363  -6.549  -4.762
    4    HA2  GLY   1           1HA      GLY   1 -19.994  -5.154  -6.683
    5    HA3  GLY   1           2HA      GLY   1 -18.390  -4.762  -6.035
    6    H    SER   2           H        SER   2 -19.351  -6.187  -8.557
    7    HA   SER   2           HA       SER   2 -18.892  -8.951  -8.427
    8    HB2  SER   2           1HB      SER   2 -18.508  -7.126 -10.826
    9    HB3  SER   2           2HB      SER   2 -18.838  -8.868 -10.857
   10    HG   SER   2           HG       SER   2 -20.745  -7.626 -11.169
   11    H    SER   3           H        SER   3 -16.447  -6.510  -8.363
   12    HA   SER   3           HA       SER   3 -14.221  -8.022  -9.430
   13    HB2  SER   3           1HB      SER   3 -12.893  -6.284  -8.219
   14    HB3  SER   3           2HB      SER   3 -14.130  -5.612  -9.297
   15    HG   SER   3           HG       SER   3 -14.085  -4.622  -7.189
   16    H    GLY   4           H        GLY   4 -15.924  -8.121  -6.368
   17    HA2  GLY   4           1HA      GLY   4 -15.682  -9.502  -4.550
   18    HA3  GLY   4           2HA      GLY   4 -14.399 -10.370  -5.397
   19    H    SER   5           H        SER   5 -13.791  -6.979  -5.073
   20    HA   SER   5           HA       SER   5 -12.055  -7.381  -2.674
   21    HB2  SER   5           1HB      SER   5 -10.314  -6.064  -3.759
   22    HB3  SER   5           2HB      SER   5 -10.692  -7.527  -4.682
   23    HG   SER   5           HG       SER   5 -10.509  -5.674  -6.028
   24    H    SER   6           H        SER   6 -11.469  -5.511  -1.500
   25    HA   SER   6           HA       SER   6 -13.363  -3.206  -1.687
   26    HB2  SER   6           1HB      SER   6 -13.645  -3.361   0.756
   27    HB3  SER   6           2HB      SER   6 -14.218  -4.799  -0.099
   28    HG   SER   6           HG       SER   6 -12.998  -5.328   1.745
   29    H    GLY   7           H        GLY   7 -10.148  -3.811  -1.865
   30    HA2  GLY   7           1HA      GLY   7  -9.313  -1.158  -1.592
   31    HA3  GLY   7           2HA      GLY   7  -8.976  -1.918  -0.037
   32    H    TYR   8           H        TYR   8  -6.854  -1.009  -1.140
   33    HA   TYR   8           HA       TYR   8  -5.446  -3.037  -2.812
   34    HB2  TYR   8           1HB      TYR   8  -4.546  -0.325  -1.765
   35    HB3  TYR   8           2HB      TYR   8  -3.631  -1.370  -2.836
   36    HD1  TYR   8           2HD      TYR   8  -6.657   0.795  -2.597
   37    HD2  TYR   8           1HD      TYR   8  -4.085  -1.488  -5.205
   38    HE1  TYR   8           2HE      TYR   8  -7.740   1.841  -4.577
   39    HE2  TYR   8           1HE      TYR   8  -5.164  -0.430  -7.187
   40    HH   TYR   8           HH       TYR   8  -7.805   1.975  -6.866
   41    H    VAL   9           H        VAL   9  -3.632  -4.233  -1.976
   42    HA   VAL   9           HA       VAL   9  -3.352  -4.126   0.996
   43    HB   VAL   9           HB       VAL   9  -3.496  -6.664  -0.645
   44   HG11  VAL   9          1HG1      VAL   9  -3.625  -7.715   1.645
   45   HG12  VAL   9          2HG1      VAL   9  -2.074  -6.945   1.317
   46   HG13  VAL   9          3HG1      VAL   9  -3.257  -6.128   2.357
   47   HG21  VAL   9          3HG2      VAL   9  -5.622  -7.062   0.574
   48   HG22  VAL   9          1HG2      VAL   9  -5.514  -5.437   1.287
   49   HG23  VAL   9          2HG2      VAL   9  -5.737  -5.642  -0.465
   50    H    CYS  10           H        CYS  10  -1.476  -4.296   1.898
   51    HA   CYS  10           HA       CYS  10   0.957  -3.818   0.509
   52    HB2  CYS  10           1HB      CYS  10   0.075  -3.249   2.891
   53    HB3  CYS  10           2HB      CYS  10   0.600  -4.866   3.341
   54    H    ALA  11           H        ALA  11   1.995  -5.270  -0.742
   55    HA   ALA  11           HA       ALA  11   1.873  -8.117  -0.448
   56    HB1  ALA  11           1HB      ALA  11   3.693  -8.072  -2.125
   57    HB2  ALA  11           2HB      ALA  11   2.390  -6.945  -2.551
   58    HB3  ALA  11           3HB      ALA  11   3.904  -6.326  -1.856
   59    H    LEU  12           H        LEU  12   3.443  -5.875   1.492
   60    HA   LEU  12           HA       LEU  12   5.824  -7.427   2.239
   61    HB2  LEU  12           1HB      LEU  12   4.692  -4.833   3.295
   62    HB3  LEU  12           2HB      LEU  12   6.260  -5.482   3.655
   63    HG   LEU  12           HG       LEU  12   6.372  -3.618   2.176
   64   HD11  LEU  12          1HD1      LEU  12   7.113  -6.132   0.747
   65   HD12  LEU  12          2HD1      LEU  12   8.029  -5.356   2.064
   66   HD13  LEU  12          3HD1      LEU  12   7.823  -4.486   0.512
   67   HD21  LEU  12          3HD2      LEU  12   5.712  -3.495  -0.095
   68   HD22  LEU  12          1HD2      LEU  12   4.252  -3.891   0.816
   69   HD23  LEU  12          2HD2      LEU  12   5.108  -5.144  -0.115
   70    H    CYS  13           H        CYS  13   3.020  -6.061   3.798
   71    HA   CYS  13           HA       CYS  13   3.177  -7.982   6.087
   72    HB2  CYS  13           1HB      CYS  13   2.552  -6.318   7.616
   73    HB3  CYS  13           2HB      CYS  13   3.939  -5.790   6.681
   74    H    LEU  14           H        LEU  14   1.110  -7.376   3.576
   75    HA   LEU  14           HA       LEU  14  -0.979  -7.854   3.043
   76    HB2  LEU  14           1HB      LEU  14  -0.951  -9.802   5.346
   77    HB3  LEU  14           2HB      LEU  14  -2.037  -9.821   3.961
   78    HG   LEU  14           HG       LEU  14   0.980 -10.262   3.866
   79   HD11  LEU  14          1HD1      LEU  14  -1.360 -12.143   3.361
   80   HD12  LEU  14          2HD1      LEU  14  -0.321 -12.133   4.806
   81   HD13  LEU  14          3HD1      LEU  14   0.369 -12.544   3.227
   82   HD21  LEU  14          3HD2      LEU  14   0.585 -10.892   1.481
   83   HD22  LEU  14          1HD2      LEU  14   0.303  -9.183   1.780
   84   HD23  LEU  14          2HD2      LEU  14  -1.082 -10.279   1.616
   85    H    LYS  15           H        LYS  15  -0.654  -5.614   4.835
   86    HA   LYS  15           HA       LYS  15  -3.273  -5.284   6.152
   87    HB2  LYS  15           1HB      LYS  15  -1.131  -4.373   7.035
   88    HB3  LYS  15           2HB      LYS  15  -1.002  -3.373   5.574
   89    HG2  LYS  15           1HG      LYS  15  -2.957  -2.080   6.196
   90    HG3  LYS  15           2HG      LYS  15  -3.370  -3.198   7.499
   91    HD2  LYS  15           1HD      LYS  15  -0.853  -1.476   7.446
   92    HD3  LYS  15           2HD      LYS  15  -2.366  -1.034   8.254
   93    HE2  LYS  15           1HE      LYS  15  -2.211  -3.151   9.611
   94    HE3  LYS  15           2HE      LYS  15  -0.624  -3.458   8.894
   95    HZ1  LYS  15           3HZ      LYS  15   0.142  -1.352   9.872
   96    HZ2  LYS  15           1HZ      LYS  15  -0.432  -2.338  11.038
   97    HZ3  LYS  15           2HZ      LYS  15  -1.330  -1.077  10.530
   98    H    LYS  16           H        LYS  16  -4.979  -4.066   5.405
   99    HA   LYS  16           HA       LYS  16  -5.003  -3.398   2.523
  100    HB2  LYS  16           1HB      LYS  16  -6.660  -4.964   3.477
  101    HB3  LYS  16           2HB      LYS  16  -7.312  -3.660   4.474
  102    HG2  LYS  16           1HG      LYS  16  -7.981  -2.405   2.484
  103    HG3  LYS  16           2HG      LYS  16  -7.215  -3.586   1.416
  104    HD2  LYS  16           1HD      LYS  16  -9.494  -4.254   3.329
  105    HD3  LYS  16           2HD      LYS  16  -9.740  -3.750   1.653
  106    HE2  LYS  16           1HE      LYS  16  -8.455  -5.665   0.822
  107    HE3  LYS  16           2HE      LYS  16  -8.087  -6.180   2.475
  108    HZ1  LYS  16           3HZ      LYS  16 -10.433  -6.578   2.844
  109    HZ2  LYS  16           1HZ      LYS  16  -9.989  -7.393   1.503
  110    HZ3  LYS  16           2HZ      LYS  16 -10.845  -5.998   1.377
  111    H    PHE  17           H        PHE  17  -5.615  -1.518   1.643
  112    HA   PHE  17           HA       PHE  17  -5.837   0.948   3.305
  113    HB2  PHE  17           1HB      PHE  17  -4.033   0.410   0.914
  114    HB3  PHE  17           2HB      PHE  17  -4.330   2.010   1.574
  115    HD1  PHE  17           1HD      PHE  17  -2.633  -1.216   2.146
  116    HD2  PHE  17           2HD      PHE  17  -3.474   2.691   3.775
  117    HE1  PHE  17           1HE      PHE  17  -0.917  -1.570   3.904
  118    HE2  PHE  17           2HE      PHE  17  -1.755   2.329   5.530
  119    HZ   PHE  17           HZ       PHE  17  -0.509   0.181   5.617
  120    H    VAL  18           H        VAL  18  -6.796   2.711   2.360
  121    HA   VAL  18           HA       VAL  18  -9.095   2.226   0.730
  122    HB   VAL  18           HB       VAL  18  -8.968   3.820   2.587
  123   HG11  VAL  18          1HG1      VAL  18  -7.344   5.637   0.763
  124   HG12  VAL  18          2HG1      VAL  18  -7.937   6.009   2.389
  125   HG13  VAL  18          3HG1      VAL  18  -6.689   4.779   2.182
  126   HG21  VAL  18          3HG2      VAL  18 -10.719   4.127   0.851
  127   HG22  VAL  18          1HG2      VAL  18 -10.246   5.631   1.666
  128   HG23  VAL  18          2HG2      VAL  18  -9.660   5.302   0.030
  129    H    SER  19           H        SER  19  -5.872   3.234  -0.162
  130    HA   SER  19           HA       SER  19  -6.598   3.425  -3.015
  131    HB2  SER  19           1HB      SER  19  -6.978   5.696  -2.308
  132    HB3  SER  19           2HB      SER  19  -5.450   5.734  -1.417
  133    HG   SER  19           HG       SER  19  -5.492   6.733  -3.588
  134    H    SER  20           H        SER  20  -4.784   3.299  -4.425
  135    HA   SER  20           HA       SER  20  -2.566   1.692  -3.563
  136    HB2  SER  20           1HB      SER  20  -1.683   2.168  -5.838
  137    HB3  SER  20           2HB      SER  20  -3.354   1.580  -5.838
  138    HG   SER  20           HG       SER  20  -3.112   3.376  -7.229
  139    H    ILE  21           H        ILE  21  -2.974   5.219  -3.944
  140    HA   ILE  21           HA       ILE  21  -0.197   5.928  -3.564
  141    HB   ILE  21           HB       ILE  21  -2.839   7.375  -3.329
  142   HG12  ILE  21          1HG1      ILE  21  -1.835   8.846  -5.035
  143   HG13  ILE  21          2HG1      ILE  21  -0.321   7.947  -4.962
  144   HG21  ILE  21          1HG2      ILE  21  -0.165   8.519  -2.435
  145   HG22  ILE  21          2HG2      ILE  21  -1.608   9.493  -2.802
  146   HG23  ILE  21          3HG2      ILE  21  -1.646   8.353  -1.460
  147   HD11  ILE  21          3HD1      ILE  21  -1.381   5.991  -5.967
  148   HD12  ILE  21          1HD1      ILE  21  -2.986   6.763  -5.857
  149   HD13  ILE  21          2HD1      ILE  21  -1.746   7.417  -6.946
  150    H    ARG  22           H        ARG  22  -2.877   5.464  -1.290
  151    HA   ARG  22           HA       ARG  22  -1.436   6.231   1.102
  152    HB2  ARG  22           1HB      ARG  22  -3.913   4.489   0.723
  153    HB3  ARG  22           2HB      ARG  22  -3.368   5.133   2.266
  154    HG2  ARG  22           1HG      ARG  22  -4.057   6.952  -0.094
  155    HG3  ARG  22           2HG      ARG  22  -5.258   6.388   1.052
  156    HD2  ARG  22           1HD      ARG  22  -4.099   7.442   2.902
  157    HD3  ARG  22           2HD      ARG  22  -2.782   7.928   1.840
  158    HE   ARG  22           HE       ARG  22  -4.101   9.607   0.880
  159   HH11  ARG  22          2HH1      ARG  22  -6.073   7.862   3.198
  160   HH12  ARG  22          1HH1      ARG  22  -7.326   9.072   3.168
  161   HH21  ARG  22          2HH2      ARG  22  -5.733  11.100   0.899
  162   HH22  ARG  22          1HH2      ARG  22  -7.131  10.852   1.902
  163    H    LEU  23           H        LEU  23  -1.897   3.129  -0.548
  164    HA   LEU  23           HA       LEU  23  -0.382   1.555   1.333
  165    HB2  LEU  23           1HB      LEU  23  -1.926   0.460  -0.111
  166    HB3  LEU  23           2HB      LEU  23  -1.257   1.222  -1.552
  167    HG   LEU  23           HG       LEU  23   0.797  -0.065  -1.360
  168   HD11  LEU  23          1HD1      LEU  23  -0.474  -1.610   0.935
  169   HD12  LEU  23          2HD1      LEU  23   0.762  -0.369   1.185
  170   HD13  LEU  23          3HD1      LEU  23   1.160  -1.785   0.242
  171   HD21  LEU  23          3HD2      LEU  23  -1.075  -0.989  -2.645
  172   HD22  LEU  23          1HD2      LEU  23  -1.697  -1.795  -1.186
  173   HD23  LEU  23          2HD2      LEU  23  -0.134  -2.281  -1.879
  174    H    ARG  24           H        ARG  24   0.559   3.169  -1.785
  175    HA   ARG  24           HA       ARG  24   3.218   2.223  -1.922
  176    HB2  ARG  24           1HB      ARG  24   1.887   4.796  -2.836
  177    HB3  ARG  24           2HB      ARG  24   3.601   4.524  -3.123
  178    HG2  ARG  24           1HG      ARG  24   3.245   2.618  -4.498
  179    HG3  ARG  24           2HG      ARG  24   1.559   2.452  -4.007
  180    HD2  ARG  24           1HD      ARG  24   1.042   4.644  -5.088
  181    HD3  ARG  24           2HD      ARG  24   2.728   4.740  -5.646
  182    HE   ARG  24           HE       ARG  24   1.693   2.253  -6.510
  183   HH11  ARG  24          2HH1      ARG  24   1.103   5.633  -7.227
  184   HH12  ARG  24          1HH1      ARG  24   0.491   5.282  -8.821
  185   HH21  ARG  24          2HH2      ARG  24   0.919   1.880  -8.562
  186   HH22  ARG  24          1HH2      ARG  24   0.401   3.212  -9.552
  187    H    SER  25           H        SER  25   2.140   5.292  -0.466
  188    HA   SER  25           HA       SER  25   4.677   6.039   0.588
  189    HB2  SER  25           1HB      SER  25   1.815   6.767   1.248
  190    HB3  SER  25           2HB      SER  25   3.208   7.538   2.062
  191    HG   SER  25           HG       SER  25   2.512   8.709   0.202
  192    H    HIS  26           H        HIS  26   2.136   3.966   2.048
  193    HA   HIS  26           HA       HIS  26   3.315   3.760   4.663
  194    HB2  HIS  26           1HB      HIS  26   1.137   2.956   4.531
  195    HB3  HIS  26           2HB      HIS  26   1.401   2.092   3.036
  196    HD1  HIS  26           1HD      HIS  26   1.818   1.603   6.786
  197    HD2  HIS  26           2HD      HIS  26   2.500  -0.376   3.138
  198    HE1  HIS  26           1HE      HIS  26   2.224  -0.832   7.384
  199    H    ILE  27           H        ILE  27   3.960   1.906   1.616
  200    HA   ILE  27           HA       ILE  27   5.758   0.091   2.904
  201    HB   ILE  27           HB       ILE  27   5.907   0.880  -0.019
  202   HG12  ILE  27          1HG1      ILE  27   4.394  -1.515   1.086
  203   HG13  ILE  27          2HG1      ILE  27   3.581   0.008   0.805
  204   HG21  ILE  27          1HG2      ILE  27   7.862  -0.323   0.846
  205   HG22  ILE  27          2HG2      ILE  27   6.785  -1.607   1.433
  206   HG23  ILE  27          3HG2      ILE  27   6.959  -1.294  -0.305
  207   HD11  ILE  27          3HD1      ILE  27   3.265  -1.369  -1.139
  208   HD12  ILE  27          1HD1      ILE  27   4.317   0.005  -1.565
  209   HD13  ILE  27          2HD1      ILE  27   5.012  -1.610  -1.322
  210    H    ARG  28           H        ARG  28   6.364   3.260   1.383
  211    HA   ARG  28           HA       ARG  28   9.237   3.151   1.684
  212    HB2  ARG  28           1HB      ARG  28   7.553   5.671   1.752
  213    HB3  ARG  28           2HB      ARG  28   9.233   5.503   1.248
  214    HG2  ARG  28           1HG      ARG  28   6.767   4.484  -0.209
  215    HG3  ARG  28           2HG      ARG  28   7.743   5.859  -0.679
  216    HD2  ARG  28           1HD      ARG  28   8.773   2.991  -0.562
  217    HD3  ARG  28           2HD      ARG  28   8.078   3.712  -1.998
  218    HE   ARG  28           HE       ARG  28  10.719   4.334  -0.799
  219   HH11  ARG  28          2HH1      ARG  28   8.384   5.408  -3.201
  220   HH12  ARG  28          1HH1      ARG  28   9.562   6.425  -3.987
  221   HH21  ARG  28          2HH2      ARG  28  12.114   5.621  -1.821
  222   HH22  ARG  28          1HH2      ARG  28  11.638   6.539  -3.222
  223    H    GLU  29           H        GLU  29   6.676   4.466   3.856
  224    HA   GLU  29           HA       GLU  29   8.469   5.558   5.771
  225    HB2  GLU  29           1HB      GLU  29   6.281   6.424   5.184
  226    HB3  GLU  29           2HB      GLU  29   5.521   4.873   5.522
  227    HG2  GLU  29           1HG      GLU  29   4.980   6.402   7.172
  228    HG3  GLU  29           2HG      GLU  29   5.911   5.072   7.856
  229    H    VAL  30           H        VAL  30   6.627   2.482   5.616
  230    HA   VAL  30           HA       VAL  30   7.556   1.762   8.344
  231    HB   VAL  30           HB       VAL  30   5.354   0.515   6.657
  232   HG11  VAL  30          1HG1      VAL  30   4.562  -0.404   8.829
  233   HG12  VAL  30          2HG1      VAL  30   6.136  -1.048   8.371
  234   HG13  VAL  30          3HG1      VAL  30   6.028   0.221   9.613
  235   HG21  VAL  30          3HG2      VAL  30   4.735   2.819   7.191
  236   HG22  VAL  30          1HG2      VAL  30   3.820   1.733   8.236
  237   HG23  VAL  30          2HG2      VAL  30   5.228   2.597   8.887
  238    H    HIS  31           H        HIS  31   7.783   0.565   5.014
  239    HA   HIS  31           HA       HIS  31   9.337  -1.791   6.021
  240    HB2  HIS  31           1HB      HIS  31   7.951  -1.417   3.358
  241    HB3  HIS  31           2HB      HIS  31   8.784  -2.863   3.912
  242    HD1  HIS  31           1HD      HIS  31   7.597  -3.617   6.575
  243    HD2  HIS  31           2HD      HIS  31   5.388  -1.808   3.501
  244    HE1  HIS  31           1HE      HIS  31   5.168  -4.196   7.025
  245    H    GLY  32           H        GLY  32   9.766   1.213   4.347
  246    HA2  GLY  32           1HA      GLY  32  11.661   2.229   3.571
  247    HA3  GLY  32           2HA      GLY  32  12.589   1.029   4.480
  248    H    ALA  33           H        ALA  33  10.429   0.240   1.780
  249    HA   ALA  33           HA       ALA  33  12.234  -1.544   0.609
  250    HB1  ALA  33           1HB      ALA  33   9.807  -0.140  -0.587
  251    HB2  ALA  33           2HB      ALA  33  10.561  -1.618  -1.229
  252    HB3  ALA  33           3HB      ALA  33   9.804  -1.647   0.372
  253    H    ALA  34           H        ALA  34  12.016   1.897  -0.033
  254    HA   ALA  34           HA       ALA  34  14.457   1.837  -1.572
  255    HB1  ALA  34           1HB      ALA  34  13.528   3.142  -3.489
  256    HB2  ALA  34           2HB      ALA  34  12.868   1.498  -3.417
  257    HB3  ALA  34           3HB      ALA  34  11.885   2.870  -2.867
  258    H    GLN  35           H        GLN  35  15.599   3.558  -0.990
  259    HA   GLN  35           HA       GLN  35  14.680   5.495   0.919
  260    HB2  GLN  35           1HB      GLN  35  16.906   6.426   0.800
  261    HB3  GLN  35           2HB      GLN  35  16.974   4.669   0.893
  262    HG2  GLN  35           1HG      GLN  35  17.429   4.560  -1.559
  263    HG3  GLN  35           2HG      GLN  35  17.328   6.320  -1.657
  264   HE21  GLN  35          1HE2      GLN  35  19.240   3.636  -0.160
  265   HE22  GLN  35          2HE2      GLN  35  20.702   4.603  -0.009
  Start of MODEL   19
    1    H1   GLY   1           1H       GLY   1 -19.146  -4.279  -2.210
    2    H2   GLY   1           2H       GLY   1 -20.057  -4.824  -0.958
    3    H3   GLY   1           3H       GLY   1 -19.303  -5.888  -1.948
    4    HA2  GLY   1           1HA      GLY   1 -17.967  -4.008  -0.111
    5    HA3  GLY   1           2HA      GLY   1 -18.111  -5.761   0.127
    6    H    SER   2           H        SER   2 -15.850  -3.620  -0.545
    7    HA   SER   2           HA       SER   2 -14.030  -3.338  -1.867
    8    HB2  SER   2           1HB      SER   2 -13.995  -6.364  -2.074
    9    HB3  SER   2           2HB      SER   2 -12.639  -5.255  -2.354
   10    HG   SER   2           HG       SER   2 -14.075  -5.643   0.080
   11    H    SER   3           H        SER   3 -16.404  -2.930  -3.187
   12    HA   SER   3           HA       SER   3 -16.734  -4.380  -5.604
   13    HB2  SER   3           1HB      SER   3 -17.801  -1.621  -4.927
   14    HB3  SER   3           2HB      SER   3 -18.464  -2.773  -6.101
   15    HG   SER   3           HG       SER   3 -19.607  -2.863  -4.143
   16    H    GLY   4           H        GLY   4 -16.389  -3.859  -7.765
   17    HA2  GLY   4           1HA      GLY   4 -15.283  -2.994  -9.606
   18    HA3  GLY   4           2HA      GLY   4 -15.205  -1.453  -8.758
   19    H    SER   5           H        SER   5 -13.121  -0.855  -9.180
   20    HA   SER   5           HA       SER   5 -10.841  -2.670  -8.760
   21    HB2  SER   5           1HB      SER   5  -9.531  -0.757  -9.640
   22    HB3  SER   5           2HB      SER   5 -10.824  -1.294 -10.726
   23    HG   SER   5           HG       SER   5 -10.765   0.998 -10.511
   24    H    SER   6           H        SER   6 -12.628  -0.737  -6.667
   25    HA   SER   6           HA       SER   6 -10.580   0.645  -5.237
   26    HB2  SER   6           1HB      SER   6 -13.371  -0.156  -4.342
   27    HB3  SER   6           2HB      SER   6 -12.321   1.028  -3.540
   28    HG   SER   6           HG       SER   6 -13.831   2.010  -4.988
   29    H    GLY   7           H        GLY   7  -9.659   0.328  -3.241
   30    HA2  GLY   7           1HA      GLY   7  -9.053  -0.761  -1.271
   31    HA3  GLY   7           2HA      GLY   7  -9.959  -2.192  -1.734
   32    H    TYR   8           H        TYR   8  -7.017  -1.280  -0.998
   33    HA   TYR   8           HA       TYR   8  -5.545  -3.113  -2.860
   34    HB2  TYR   8           1HB      TYR   8  -4.613  -0.444  -1.723
   35    HB3  TYR   8           2HB      TYR   8  -3.661  -1.529  -2.726
   36    HD1  TYR   8           2HD      TYR   8  -6.676   0.672  -2.702
   37    HD2  TYR   8           1HD      TYR   8  -3.838  -1.487  -5.129
   38    HE1  TYR   8           2HE      TYR   8  -7.624   1.727  -4.732
   39    HE2  TYR   8           1HE      TYR   8  -4.755  -0.383  -7.169
   40    HH   TYR   8           HH       TYR   8  -7.478   1.944  -7.022
   41    H    VAL   9           H        VAL   9  -3.634  -4.156  -1.914
   42    HA   VAL   9           HA       VAL   9  -3.525  -4.112   1.057
   43    HB   VAL   9           HB       VAL   9  -3.538  -6.658  -0.596
   44   HG11  VAL   9          1HG1      VAL   9  -2.182  -6.852   1.445
   45   HG12  VAL   9          2HG1      VAL   9  -3.485  -6.143   2.415
   46   HG13  VAL   9          3HG1      VAL   9  -3.696  -7.737   1.662
   47   HG21  VAL   9          3HG2      VAL   9  -5.676  -5.569   1.285
   48   HG22  VAL   9          1HG2      VAL   9  -5.834  -5.734  -0.481
   49   HG23  VAL   9          2HG2      VAL   9  -5.680  -7.173   0.524
   50    H    CYS  10           H        CYS  10  -1.589  -4.284   1.965
   51    HA   CYS  10           HA       CYS  10   0.801  -3.766   0.503
   52    HB2  CYS  10           1HB      CYS  10   0.085  -3.071   2.835
   53    HB3  CYS  10           2HB      CYS  10   0.414  -4.723   3.369
   54    H    ALA  11           H        ALA  11   1.972  -5.138  -0.664
   55    HA   ALA  11           HA       ALA  11   1.773  -8.015  -0.445
   56    HB1  ALA  11           1HB      ALA  11   3.782  -6.243  -1.905
   57    HB2  ALA  11           2HB      ALA  11   3.534  -7.981  -2.174
   58    HB3  ALA  11           3HB      ALA  11   2.237  -6.833  -2.555
   59    H    LEU  12           H        LEU  12   3.359  -5.820   1.510
   60    HA   LEU  12           HA       LEU  12   5.771  -7.386   2.151
   61    HB2  LEU  12           1HB      LEU  12   4.717  -4.785   3.259
   62    HB3  LEU  12           2HB      LEU  12   6.284  -5.458   3.554
   63    HG   LEU  12           HG       LEU  12   6.331  -3.570   2.073
   64   HD11  LEU  12          1HD1      LEU  12   8.010  -5.283   1.953
   65   HD12  LEU  12          2HD1      LEU  12   7.766  -4.438   0.394
   66   HD13  LEU  12          3HD1      LEU  12   7.082  -6.091   0.663
   67   HD21  LEU  12          3HD2      LEU  12   5.635  -3.471  -0.185
   68   HD22  LEU  12          1HD2      LEU  12   4.194  -3.885   0.752
   69   HD23  LEU  12          2HD2      LEU  12   5.056  -5.132  -0.184
   70    H    CYS  13           H        CYS  13   3.043  -5.982   3.800
   71    HA   CYS  13           HA       CYS  13   3.208  -7.936   6.059
   72    HB2  CYS  13           1HB      CYS  13   2.643  -6.299   7.625
   73    HB3  CYS  13           2HB      CYS  13   4.001  -5.752   6.656
   74    H    LEU  14           H        LEU  14   1.094  -7.299   3.592
   75    HA   LEU  14           HA       LEU  14  -1.007  -7.803   3.106
   76    HB2  LEU  14           1HB      LEU  14  -0.675  -9.768   5.373
   77    HB3  LEU  14           2HB      LEU  14  -2.086  -9.722   4.351
   78    HG   LEU  14           HG       LEU  14  -0.637 -11.466   3.651
   79   HD11  LEU  14          1HD1      LEU  14  -0.516 -11.039   1.285
   80   HD12  LEU  14          2HD1      LEU  14  -0.550  -9.285   1.534
   81   HD13  LEU  14          3HD1      LEU  14  -1.977 -10.272   1.931
   82   HD21  LEU  14          3HD2      LEU  14   1.544 -11.237   2.727
   83   HD22  LEU  14          1HD2      LEU  14   1.563 -10.478   4.328
   84   HD23  LEU  14          2HD2      LEU  14   1.510  -9.473   2.859
   85    H    LYS  15           H        LYS  15  -0.608  -5.576   5.070
   86    HA   LYS  15           HA       LYS  15  -3.229  -5.203   6.316
   87    HB2  LYS  15           1HB      LYS  15  -1.164  -4.019   7.096
   88    HB3  LYS  15           2HB      LYS  15  -1.067  -3.256   5.492
   89    HG2  LYS  15           1HG      LYS  15  -3.146  -2.071   5.888
   90    HG3  LYS  15           2HG      LYS  15  -3.452  -2.975   7.384
   91    HD2  LYS  15           1HD      LYS  15  -1.510  -1.879   8.430
   92    HD3  LYS  15           2HD      LYS  15  -1.165  -1.008   6.931
   93    HE2  LYS  15           1HE      LYS  15  -3.704  -0.799   8.620
   94    HE3  LYS  15           2HE      LYS  15  -2.391   0.378   8.555
   95    HZ1  LYS  15           3HZ      LYS  15  -2.947   0.739   6.185
   96    HZ2  LYS  15           1HZ      LYS  15  -4.238   1.058   7.135
   97    HZ3  LYS  15           2HZ      LYS  15  -4.184  -0.323   6.266
   98    H    LYS  16           H        LYS  16  -5.003  -4.102   5.536
   99    HA   LYS  16           HA       LYS  16  -5.158  -3.533   2.648
  100    HB2  LYS  16           1HB      LYS  16  -6.836  -4.896   3.978
  101    HB3  LYS  16           2HB      LYS  16  -7.407  -3.375   4.677
  102    HG2  LYS  16           1HG      LYS  16  -8.028  -2.558   2.430
  103    HG3  LYS  16           2HG      LYS  16  -7.280  -3.983   1.683
  104    HD2  LYS  16           1HD      LYS  16  -8.899  -5.417   3.011
  105    HD3  LYS  16           2HD      LYS  16  -9.724  -3.914   3.487
  106    HE2  LYS  16           1HE      LYS  16 -10.074  -3.383   1.074
  107    HE3  LYS  16           2HE      LYS  16  -9.243  -4.886   0.633
  108    HZ1  LYS  16           3HZ      LYS  16 -10.997  -6.124   1.773
  109    HZ2  LYS  16           1HZ      LYS  16 -11.686  -5.159   0.651
  110    HZ3  LYS  16           2HZ      LYS  16 -11.753  -4.746   2.224
  111    H    PHE  17           H        PHE  17  -5.871  -1.684   1.725
  112    HA   PHE  17           HA       PHE  17  -5.828   0.909   3.196
  113    HB2  PHE  17           1HB      PHE  17  -4.164   0.115   0.767
  114    HB3  PHE  17           2HB      PHE  17  -4.421   1.782   1.256
  115    HD1  PHE  17           1HD      PHE  17  -2.803  -1.410   2.184
  116    HD2  PHE  17           2HD      PHE  17  -3.368   2.737   3.227
  117    HE1  PHE  17           1HE      PHE  17  -1.026  -1.590   3.894
  118    HE2  PHE  17           2HE      PHE  17  -1.531   2.571   4.891
  119    HZ   PHE  17           HZ       PHE  17  -0.405   0.381   5.262
  120    H    VAL  18           H        VAL  18  -6.818   2.638   2.147
  121    HA   VAL  18           HA       VAL  18  -9.106   2.026   0.498
  122    HB   VAL  18           HB       VAL  18  -9.115   3.730   2.246
  123   HG11  VAL  18          1HG1      VAL  18  -6.852   4.710   1.953
  124   HG12  VAL  18          2HG1      VAL  18  -7.378   5.465   0.432
  125   HG13  VAL  18          3HG1      VAL  18  -8.124   5.933   1.965
  126   HG21  VAL  18          3HG2      VAL  18 -10.762   3.838   0.401
  127   HG22  VAL  18          1HG2      VAL  18 -10.397   5.424   1.103
  128   HG23  VAL  18          2HG2      VAL  18  -9.701   4.974  -0.465
  129    H    SER  19           H        SER  19  -5.898   3.377  -0.257
  130    HA   SER  19           HA       SER  19  -6.523   3.169  -3.146
  131    HB2  SER  19           1HB      SER  19  -5.960   5.317  -3.707
  132    HB3  SER  19           2HB      SER  19  -6.854   5.570  -2.201
  133    HG   SER  19           HG       SER  19  -4.973   6.763  -2.172
  134    H    SER  20           H        SER  20  -4.644   3.229  -4.547
  135    HA   SER  20           HA       SER  20  -2.373   1.720  -3.666
  136    HB2  SER  20           1HB      SER  20  -1.431   2.382  -5.877
  137    HB3  SER  20           2HB      SER  20  -3.063   1.701  -5.982
  138    HG   SER  20           HG       SER  20  -2.874   3.598  -7.249
  139    H    ILE  21           H        ILE  21  -2.993   5.226  -3.854
  140    HA   ILE  21           HA       ILE  21  -0.273   6.076  -3.413
  141    HB   ILE  21           HB       ILE  21  -2.945   7.434  -2.915
  142   HG12  ILE  21          1HG1      ILE  21  -2.528   7.010  -5.279
  143   HG13  ILE  21          2HG1      ILE  21  -2.487   8.723  -4.910
  144   HG21  ILE  21          1HG2      ILE  21  -1.603   9.568  -2.813
  145   HG22  ILE  21          2HG2      ILE  21  -1.471   8.507  -1.409
  146   HG23  ILE  21          3HG2      ILE  21  -0.150   8.556  -2.600
  147   HD11  ILE  21          3HD1      ILE  21   0.009   8.686  -5.000
  148   HD12  ILE  21          1HD1      ILE  21  -0.052   6.956  -5.418
  149   HD13  ILE  21          2HD1      ILE  21  -0.744   8.162  -6.512
  150    H    ARG  22           H        ARG  22  -2.985   5.508  -1.104
  151    HA   ARG  22           HA       ARG  22  -1.432   6.230   1.231
  152    HB2  ARG  22           1HB      ARG  22  -3.786   4.297   1.088
  153    HB3  ARG  22           2HB      ARG  22  -3.142   5.064   2.531
  154    HG2  ARG  22           1HG      ARG  22  -4.769   6.290   0.319
  155    HG3  ARG  22           2HG      ARG  22  -5.087   6.271   2.043
  156    HD2  ARG  22           1HD      ARG  22  -3.035   7.921   0.560
  157    HD3  ARG  22           2HD      ARG  22  -4.547   8.492   1.263
  158    HE   ARG  22           HE       ARG  22  -3.164   7.339   3.401
  159   HH11  ARG  22          2HH1      ARG  22  -2.575  10.052   1.266
  160   HH12  ARG  22          1HH1      ARG  22  -1.597  10.883   2.444
  161   HH21  ARG  22          2HH2      ARG  22  -1.903   8.452   4.856
  162   HH22  ARG  22          1HH2      ARG  22  -1.240   9.999   4.424
  163    H    LEU  23           H        LEU  23  -1.793   3.161  -0.495
  164    HA   LEU  23           HA       LEU  23  -0.237   1.611   1.357
  165    HB2  LEU  23           1HB      LEU  23  -1.824   0.540  -0.072
  166    HB3  LEU  23           2HB      LEU  23  -1.130   1.263  -1.523
  167    HG   LEU  23           HG       LEU  23   0.892  -0.057  -1.297
  168   HD11  LEU  23          1HD1      LEU  23   0.859  -0.301   1.251
  169   HD12  LEU  23          2HD1      LEU  23   1.218  -1.753   0.352
  170   HD13  LEU  23          3HD1      LEU  23  -0.410  -1.515   1.036
  171   HD21  LEU  23          3HD2      LEU  23  -1.633  -1.744  -1.081
  172   HD22  LEU  23          1HD2      LEU  23  -0.078  -2.275  -1.761
  173   HD23  LEU  23          2HD2      LEU  23  -0.996  -0.986  -2.558
  174    H    ARG  24           H        ARG  24   0.656   3.270  -1.745
  175    HA   ARG  24           HA       ARG  24   3.297   2.299  -1.968
  176    HB2  ARG  24           1HB      ARG  24   1.955   4.898  -2.789
  177    HB3  ARG  24           2HB      ARG  24   3.668   4.648  -3.110
  178    HG2  ARG  24           1HG      ARG  24   3.302   2.773  -4.527
  179    HG3  ARG  24           2HG      ARG  24   1.626   2.584  -4.012
  180    HD2  ARG  24           1HD      ARG  24   1.072   4.787  -5.033
  181    HD3  ARG  24           2HD      ARG  24   2.750   4.926  -5.603
  182    HE   ARG  24           HE       ARG  24   1.708   2.443  -6.512
  183   HH11  ARG  24          2HH1      ARG  24   1.211   5.843  -7.193
  184   HH12  ARG  24          1HH1      ARG  24   0.619   5.528  -8.800
  185   HH21  ARG  24          2HH2      ARG  24   0.965   2.114  -8.581
  186   HH22  ARG  24          1HH2      ARG  24   0.496   3.471  -9.563
  187    H    SER  25           H        SER  25   2.285   5.318  -0.382
  188    HA   SER  25           HA       SER  25   4.897   5.938   0.640
  189    HB2  SER  25           1HB      SER  25   2.092   6.885   1.303
  190    HB3  SER  25           2HB      SER  25   3.555   7.582   2.054
  191    HG   SER  25           HG       SER  25   2.897   8.743   0.176
  192    H    HIS  26           H        HIS  26   2.208   4.036   2.089
  193    HA   HIS  26           HA       HIS  26   3.355   3.754   4.705
  194    HB2  HIS  26           1HB      HIS  26   1.172   2.953   4.514
  195    HB3  HIS  26           2HB      HIS  26   1.473   2.109   3.012
  196    HD1  HIS  26           1HD      HIS  26   1.805   1.572   6.768
  197    HD2  HIS  26           2HD      HIS  26   2.574  -0.362   3.109
  198    HE1  HIS  26           1HE      HIS  26   2.153  -0.876   7.339
  199    H    ILE  27           H        ILE  27   3.959   1.907   1.650
  200    HA   ILE  27           HA       ILE  27   5.781   0.091   2.895
  201    HB   ILE  27           HB       ILE  27   5.798   0.924  -0.024
  202   HG12  ILE  27          1HG1      ILE  27   4.482  -1.563   1.116
  203   HG13  ILE  27          2HG1      ILE  27   3.573  -0.083   0.939
  204   HG21  ILE  27          1HG2      ILE  27   7.858  -0.186   0.706
  205   HG22  ILE  27          2HG2      ILE  27   6.882  -1.537   1.326
  206   HG23  ILE  27          3HG2      ILE  27   6.938  -1.182  -0.413
  207   HD11  ILE  27          3HD1      ILE  27   3.213  -1.477  -1.011
  208   HD12  ILE  27          1HD1      ILE  27   4.066   0.012  -1.471
  209   HD13  ILE  27          2HD1      ILE  27   4.949  -1.523  -1.353
  210    H    ARG  28           H        ARG  28   6.343   3.328   1.507
  211    HA   ARG  28           HA       ARG  28   9.238   3.145   1.812
  212    HB2  ARG  28           1HB      ARG  28   7.602   5.694   1.682
  213    HB3  ARG  28           2HB      ARG  28   9.307   5.464   1.302
  214    HG2  ARG  28           1HG      ARG  28   6.892   4.655  -0.318
  215    HG3  ARG  28           2HG      ARG  28   8.242   5.687  -0.785
  216    HD2  ARG  28           1HD      ARG  28   9.697   3.581  -0.601
  217    HD3  ARG  28           2HD      ARG  28   8.190   2.658  -0.475
  218    HE   ARG  28           HE       ARG  28   9.360   3.854  -2.865
  219   HH11  ARG  28          2HH1      ARG  28   6.193   2.795  -1.650
  220   HH12  ARG  28          1HH1      ARG  28   5.754   2.260  -3.254
  221   HH21  ARG  28          2HH2      ARG  28   8.665   3.353  -4.698
  222   HH22  ARG  28          1HH2      ARG  28   7.136   2.517  -4.975
  223    H    GLU  29           H        GLU  29   6.676   4.475   3.890
  224    HA   GLU  29           HA       GLU  29   8.537   5.485   5.882
  225    HB2  GLU  29           1HB      GLU  29   5.534   5.001   5.881
  226    HB3  GLU  29           2HB      GLU  29   6.391   5.716   7.241
  227    HG2  GLU  29           1HG      GLU  29   6.395   6.900   4.430
  228    HG3  GLU  29           2HG      GLU  29   5.287   7.366   5.714
  229    H    VAL  30           H        VAL  30   6.712   2.443   5.603
  230    HA   VAL  30           HA       VAL  30   7.610   1.636   8.323
  231    HB   VAL  30           HB       VAL  30   5.402   0.458   6.598
  232   HG11  VAL  30          1HG1      VAL  30   6.057   0.098   9.551
  233   HG12  VAL  30          2HG1      VAL  30   4.591  -0.499   8.743
  234   HG13  VAL  30          3HG1      VAL  30   6.164  -1.146   8.282
  235   HG21  VAL  30          3HG2      VAL  30   5.285   2.488   8.876
  236   HG22  VAL  30          1HG2      VAL  30   4.813   2.765   7.184
  237   HG23  VAL  30          2HG2      VAL  30   3.873   1.660   8.186
  238    H    HIS  31           H        HIS  31   7.847   0.541   4.957
  239    HA   HIS  31           HA       HIS  31   9.423  -1.833   5.897
  240    HB2  HIS  31           1HB      HIS  31   7.965  -1.459   3.278
  241    HB3  HIS  31           2HB      HIS  31   8.787  -2.912   3.827
  242    HD1  HIS  31           1HD      HIS  31   7.626  -3.603   6.532
  243    HD2  HIS  31           2HD      HIS  31   5.404  -1.828   3.448
  244    HE1  HIS  31           1HE      HIS  31   5.198  -4.152   7.016
  245    H    GLY  32           H        GLY  32   9.794   1.186   4.312
  246    HA2  GLY  32           1HA      GLY  32  11.671   2.258   3.609
  247    HA3  GLY  32           2HA      GLY  32  12.624   0.957   4.331
  248    H    ALA  33           H        ALA  33  10.367   0.414   1.611
  249    HA   ALA  33           HA       ALA  33  12.294  -0.884   0.032
  250    HB1  ALA  33           1HB      ALA  33   9.616   0.313  -0.786
  251    HB2  ALA  33           2HB      ALA  33  10.544  -0.901  -1.688
  252    HB3  ALA  33           3HB      ALA  33   9.875  -1.316  -0.101
  253    H    ALA  34           H        ALA  34  13.517  -0.320  -1.495
  254    HA   ALA  34           HA       ALA  34  14.289   2.448  -1.933
  255    HB1  ALA  34           1HB      ALA  34  15.444  -0.125  -3.080
  256    HB2  ALA  34           2HB      ALA  34  16.226   1.471  -3.073
  257    HB3  ALA  34           3HB      ALA  34  15.921   0.635  -1.541
  258    H    GLN  35           H        GLN  35  11.781   1.089  -3.305
  259    HA   GLN  35           HA       GLN  35  12.148   1.538  -6.160
  260    HB2  GLN  35           1HB      GLN  35  10.619  -0.175  -5.251
  261    HB3  GLN  35           2HB      GLN  35   9.664   1.079  -4.462
  262    HG2  GLN  35           1HG      GLN  35   9.241   2.063  -6.802
  263    HG3  GLN  35           2HG      GLN  35  10.013   0.618  -7.457
  264   HE21  GLN  35          1HE2      GLN  35   8.879  -1.504  -7.077
  265   HE22  GLN  35          2HE2      GLN  35   7.160  -1.475  -6.700
  Start of MODEL   20
    1    H1   GLY   1           1H       GLY   1 -10.384 -14.148 -13.730
    2    H2   GLY   1           2H       GLY   1 -10.027 -13.113 -12.509
    3    H3   GLY   1           3H       GLY   1  -9.274 -12.962 -13.956
    4    HA2  GLY   1           1HA      GLY   1 -11.346 -12.391 -15.047
    5    HA3  GLY   1           2HA      GLY   1 -12.151 -12.536 -13.475
    6    H    SER   2           H        SER   2 -12.849 -10.341 -13.647
    7    HA   SER   2           HA       SER   2 -10.937  -8.138 -13.777
    8    HB2  SER   2           1HB      SER   2 -12.960  -6.741 -13.455
    9    HB3  SER   2           2HB      SER   2 -13.089  -7.874 -14.808
   10    HG   SER   2           HG       SER   2 -14.987  -7.848 -13.505
   11    H    SER   3           H        SER   3 -10.939  -6.403 -12.164
   12    HA   SER   3           HA       SER   3 -11.109  -7.335  -9.322
   13    HB2  SER   3           1HB      SER   3  -8.949  -5.594 -10.569
   14    HB3  SER   3           2HB      SER   3  -9.131  -5.941  -8.842
   15    HG   SER   3           HG       SER   3  -8.636  -7.833 -10.920
   16    H    GLY   4           H        GLY   4 -11.495  -5.694  -7.747
   17    HA2  GLY   4           1HA      GLY   4 -13.496  -3.770  -8.486
   18    HA3  GLY   4           2HA      GLY   4 -12.765  -3.960  -6.898
   19    H    SER   5           H        SER   5 -13.512  -1.500  -8.088
   20    HA   SER   5           HA       SER   5 -11.121  -0.099  -9.035
   21    HB2  SER   5           1HB      SER   5 -12.676   1.823  -9.202
   22    HB3  SER   5           2HB      SER   5 -13.250   0.381 -10.052
   23    HG   SER   5           HG       SER   5 -14.905   1.373  -8.789
   24    H    SER   6           H        SER   6 -12.021  -0.952  -5.968
   25    HA   SER   6           HA       SER   6 -10.384   1.158  -4.712
   26    HB2  SER   6           1HB      SER   6 -12.765   1.959  -4.647
   27    HB3  SER   6           2HB      SER   6 -13.190   0.505  -3.722
   28    HG   SER   6           HG       SER   6 -12.738   2.346  -2.391
   29    H    GLY   7           H        GLY   7  -9.711   0.593  -2.557
   30    HA2  GLY   7           1HA      GLY   7  -9.078  -0.839  -0.837
   31    HA3  GLY   7           2HA      GLY   7 -10.021  -2.143  -1.537
   32    H    TYR   8           H        TYR   8  -6.984  -1.182  -0.818
   33    HA   TYR   8           HA       TYR   8  -5.623  -2.968  -2.806
   34    HB2  TYR   8           1HB      TYR   8  -4.616  -0.308  -1.710
   35    HB3  TYR   8           2HB      TYR   8  -3.768  -1.362  -2.830
   36    HD1  TYR   8           2HD      TYR   8  -6.716   0.881  -2.439
   37    HD2  TYR   8           1HD      TYR   8  -4.247  -1.329  -5.202
   38    HE1  TYR   8           2HE      TYR   8  -7.853   1.998  -4.345
   39    HE2  TYR   8           1HE      TYR   8  -5.356  -0.181  -7.109
   40    HH   TYR   8           HH       TYR   8  -6.957   1.331  -7.757
   41    H    VAL   9           H        VAL   9  -3.743  -4.125  -1.951
   42    HA   VAL   9           HA       VAL   9  -3.478  -4.034   1.016
   43    HB   VAL   9           HB       VAL   9  -3.691  -6.582  -0.616
   44   HG11  VAL   9          1HG1      VAL   9  -3.460  -6.080   2.385
   45   HG12  VAL   9          2HG1      VAL   9  -3.813  -7.655   1.642
   46   HG13  VAL   9          3HG1      VAL   9  -2.263  -6.871   1.349
   47   HG21  VAL   9          3HG2      VAL   9  -5.686  -5.337   1.327
   48   HG22  VAL   9          1HG2      VAL   9  -5.921  -5.538  -0.424
   49   HG23  VAL   9          2HG2      VAL   9  -5.813  -6.958   0.615
   50    H    CYS  10           H        CYS  10  -1.525  -4.283   1.873
   51    HA   CYS  10           HA       CYS  10   0.862  -3.899   0.383
   52    HB2  CYS  10           1HB      CYS  10   0.349  -3.271   2.753
   53    HB3  CYS  10           2HB      CYS  10   0.441  -4.982   3.192
   54    H    ALA  11           H        ALA  11   2.364  -5.222  -0.435
   55    HA   ALA  11           HA       ALA  11   1.795  -8.101  -0.659
   56    HB1  ALA  11           1HB      ALA  11   4.032  -6.394  -1.835
   57    HB2  ALA  11           2HB      ALA  11   3.656  -8.076  -2.259
   58    HB3  ALA  11           3HB      ALA  11   2.490  -6.793  -2.630
   59    H    LEU  12           H        LEU  12   3.359  -6.200   1.631
   60    HA   LEU  12           HA       LEU  12   5.477  -8.214   2.249
   61    HB2  LEU  12           1HB      LEU  12   5.261  -5.320   3.142
   62    HB3  LEU  12           2HB      LEU  12   6.570  -6.442   3.436
   63    HG   LEU  12           HG       LEU  12   6.848  -6.509   0.831
   64   HD11  LEU  12          1HD1      LEU  12   5.295  -3.889   1.150
   65   HD12  LEU  12          2HD1      LEU  12   4.840  -5.244   0.108
   66   HD13  LEU  12          3HD1      LEU  12   6.286  -4.317  -0.256
   67   HD21  LEU  12          3HD2      LEU  12   8.394  -5.476   2.454
   68   HD22  LEU  12          1HD2      LEU  12   7.389  -4.015   2.450
   69   HD23  LEU  12          2HD2      LEU  12   8.273  -4.492   0.980
   70    H    CYS  13           H        CYS  13   3.233  -6.046   3.961
   71    HA   CYS  13           HA       CYS  13   3.135  -7.959   6.246
   72    HB2  CYS  13           1HB      CYS  13   2.540  -6.220   7.702
   73    HB3  CYS  13           2HB      CYS  13   4.002  -5.806   6.824
   74    H    LEU  14           H        LEU  14   1.246  -7.346   3.634
   75    HA   LEU  14           HA       LEU  14  -0.848  -7.841   3.007
   76    HB2  LEU  14           1HB      LEU  14  -1.023  -9.669   5.391
   77    HB3  LEU  14           2HB      LEU  14  -1.874  -9.791   3.855
   78    HG   LEU  14           HG       LEU  14   1.102 -10.239   4.340
   79   HD11  LEU  14          1HD1      LEU  14  -1.116 -12.102   3.401
   80   HD12  LEU  14          2HD1      LEU  14  -0.415 -12.059   5.035
   81   HD13  LEU  14          3HD1      LEU  14   0.592 -12.530   3.658
   82   HD21  LEU  14          3HD2      LEU  14  -0.433 -10.268   1.706
   83   HD22  LEU  14          1HD2      LEU  14   1.189 -10.960   1.940
   84   HD23  LEU  14          2HD2      LEU  14   0.944  -9.229   2.138
   85    H    LYS  15           H        LYS  15  -0.579  -5.576   4.935
   86    HA   LYS  15           HA       LYS  15  -3.206  -5.245   6.166
   87    HB2  LYS  15           1HB      LYS  15  -1.153  -4.133   7.026
   88    HB3  LYS  15           2HB      LYS  15  -0.991  -3.305   5.460
   89    HG2  LYS  15           1HG      LYS  15  -3.024  -2.071   5.835
   90    HG3  LYS  15           2HG      LYS  15  -3.425  -3.031   7.278
   91    HD2  LYS  15           1HD      LYS  15  -1.465  -2.055   8.433
   92    HD3  LYS  15           2HD      LYS  15  -1.086  -1.097   6.998
   93    HE2  LYS  15           1HE      LYS  15  -3.636  -0.963   8.676
   94    HE3  LYS  15           2HE      LYS  15  -2.323   0.212   8.668
   95    HZ1  LYS  15           3HZ      LYS  15  -2.874   0.684   6.316
   96    HZ2  LYS  15           1HZ      LYS  15  -4.162   0.968   7.282
   97    HZ3  LYS  15           2HZ      LYS  15  -4.120  -0.372   6.353
   98    H    LYS  16           H        LYS  16  -4.978  -4.141   5.410
   99    HA   LYS  16           HA       LYS  16  -5.101  -3.404   2.564
  100    HB2  LYS  16           1HB      LYS  16  -6.794  -4.851   3.665
  101    HB3  LYS  16           2HB      LYS  16  -7.320  -3.474   4.636
  102    HG2  LYS  16           1HG      LYS  16  -8.031  -2.266   2.639
  103    HG3  LYS  16           2HG      LYS  16  -7.338  -3.496   1.576
  104    HD2  LYS  16           1HD      LYS  16  -9.605  -3.998   3.548
  105    HD3  LYS  16           2HD      LYS  16  -9.828  -3.593   1.837
  106    HE2  LYS  16           1HE      LYS  16  -8.534  -5.618   1.186
  107    HE3  LYS  16           2HE      LYS  16  -8.356  -6.051   2.891
  108    HZ1  LYS  16           3HZ      LYS  16 -10.950  -5.826   1.458
  109    HZ2  LYS  16           1HZ      LYS  16 -10.783  -6.221   3.035
  110    HZ3  LYS  16           2HZ      LYS  16 -10.221  -7.224   1.879
  111    H    PHE  17           H        PHE  17  -5.778  -1.508   1.734
  112    HA   PHE  17           HA       PHE  17  -5.750   1.004   3.332
  113    HB2  PHE  17           1HB      PHE  17  -4.113   0.324   0.850
  114    HB3  PHE  17           2HB      PHE  17  -4.342   1.963   1.441
  115    HD1  PHE  17           1HD      PHE  17  -2.707  -1.279   2.113
  116    HD2  PHE  17           2HD      PHE  17  -3.297   2.768   3.488
  117    HE1  PHE  17           1HE      PHE  17  -0.894  -1.577   3.776
  118    HE2  PHE  17           2HE      PHE  17  -1.454   2.479   5.127
  119    HZ   PHE  17           HZ       PHE  17  -0.308   0.282   5.313
  120    H    VAL  18           H        VAL  18  -6.751   2.769   2.367
  121    HA   VAL  18           HA       VAL  18  -9.071   2.277   0.748
  122    HB   VAL  18           HB       VAL  18  -8.959   3.937   2.532
  123   HG11  VAL  18          1HG1      VAL  18  -6.661   4.829   2.223
  124   HG12  VAL  18          2HG1      VAL  18  -7.174   5.628   0.720
  125   HG13  VAL  18          3HG1      VAL  18  -7.867   6.111   2.272
  126   HG21  VAL  18          3HG2      VAL  18  -9.551   5.315  -0.110
  127   HG22  VAL  18          1HG2      VAL  18 -10.644   4.190   0.729
  128   HG23  VAL  18          2HG2      VAL  18 -10.189   5.724   1.492
  129    H    SER  19           H        SER  19  -5.826   3.326  -0.098
  130    HA   SER  19           HA       SER  19  -6.522   3.495  -2.978
  131    HB2  SER  19           1HB      SER  19  -6.862   5.749  -2.264
  132    HB3  SER  19           2HB      SER  19  -5.371   5.746  -1.312
  133    HG   SER  19           HG       SER  19  -5.322   6.782  -3.470
  134    H    SER  20           H        SER  20  -4.758   3.269  -4.378
  135    HA   SER  20           HA       SER  20  -2.528   1.670  -3.559
  136    HB2  SER  20           1HB      SER  20  -1.672   2.160  -5.835
  137    HB3  SER  20           2HB      SER  20  -3.353   1.604  -5.833
  138    HG   SER  20           HG       SER  20  -3.082   3.421  -7.195
  139    H    ILE  21           H        ILE  21  -2.961   5.194  -3.848
  140    HA   ILE  21           HA       ILE  21  -0.166   5.882  -3.600
  141    HB   ILE  21           HB       ILE  21  -2.635   7.508  -2.878
  142   HG12  ILE  21          1HG1      ILE  21  -2.837   6.875  -5.195
  143   HG13  ILE  21          2HG1      ILE  21  -2.402   8.567  -5.090
  144   HG21  ILE  21          1HG2      ILE  21  -0.703   8.516  -1.865
  145   HG22  ILE  21          2HG2      ILE  21   0.257   8.330  -3.345
  146   HG23  ILE  21          3HG2      ILE  21  -1.111   9.468  -3.293
  147   HD11  ILE  21          3HD1      ILE  21  -0.525   6.278  -5.827
  148   HD12  ILE  21          1HD1      ILE  21  -1.200   7.497  -6.916
  149   HD13  ILE  21          2HD1      ILE  21  -0.034   7.985  -5.675
  150    H    ARG  22           H        ARG  22  -2.761   5.502  -1.197
  151    HA   ARG  22           HA       ARG  22  -1.215   6.217   1.146
  152    HB2  ARG  22           1HB      ARG  22  -3.641   4.385   0.850
  153    HB3  ARG  22           2HB      ARG  22  -3.015   4.984   2.375
  154    HG2  ARG  22           1HG      ARG  22  -4.068   6.777   0.138
  155    HG3  ARG  22           2HG      ARG  22  -5.034   6.202   1.487
  156    HD2  ARG  22           1HD      ARG  22  -2.616   7.968   1.676
  157    HD3  ARG  22           2HD      ARG  22  -4.295   8.499   1.803
  158    HE   ARG  22           HE       ARG  22  -4.048   6.565   3.779
  159   HH11  ARG  22          2HH1      ARG  22  -2.464   9.633   3.178
  160   HH12  ARG  22          1HH1      ARG  22  -2.125   9.893   4.867
  161   HH21  ARG  22          2HH2      ARG  22  -3.571   6.956   5.920
  162   HH22  ARG  22          1HH2      ARG  22  -2.744   8.418   6.369
  163    H    LEU  23           H        LEU  23  -1.785   3.120  -0.514
  164    HA   LEU  23           HA       LEU  23  -0.251   1.503   1.286
  165    HB2  LEU  23           1HB      LEU  23  -1.881   0.478  -0.112
  166    HB3  LEU  23           2HB      LEU  23  -1.233   1.224  -1.570
  167    HG   LEU  23           HG       LEU  23   0.769  -0.147  -1.466
  168   HD11  LEU  23          1HD1      LEU  23   0.819  -0.461   1.077
  169   HD12  LEU  23          2HD1      LEU  23   1.134  -1.882   0.110
  170   HD13  LEU  23          3HD1      LEU  23  -0.468  -1.656   0.869
  171   HD21  LEU  23          3HD2      LEU  23  -1.188  -0.985  -2.679
  172   HD22  LEU  23          1HD2      LEU  23  -1.784  -1.774  -1.202
  173   HD23  LEU  23          2HD2      LEU  23  -0.271  -2.320  -1.959
  174    H    ARG  24           H        ARG  24   0.645   3.089  -1.857
  175    HA   ARG  24           HA       ARG  24   3.308   2.109  -1.968
  176    HB2  ARG  24           1HB      ARG  24   1.975   4.634  -3.002
  177    HB3  ARG  24           2HB      ARG  24   3.680   4.310  -3.321
  178    HG2  ARG  24           1HG      ARG  24   3.230   2.357  -4.597
  179    HG3  ARG  24           2HG      ARG  24   1.561   2.249  -4.030
  180    HD2  ARG  24           1HD      ARG  24   1.054   4.414  -5.160
  181    HD3  ARG  24           2HD      ARG  24   2.712   4.447  -5.797
  182    HE   ARG  24           HE       ARG  24   1.518   1.957  -6.507
  183   HH11  ARG  24          2HH1      ARG  24   1.188   5.329  -7.399
  184   HH12  ARG  24          1HH1      ARG  24   0.529   4.944  -8.965
  185   HH21  ARG  24          2HH2      ARG  24   0.691   1.538  -8.528
  186   HH22  ARG  24          1HH2      ARG  24   0.266   2.853  -9.583
  187    H    SER  25           H        SER  25   2.119   5.126  -0.518
  188    HA   SER  25           HA       SER  25   4.659   5.973   0.525
  189    HB2  SER  25           1HB      SER  25   2.643   7.421   0.157
  190    HB3  SER  25           2HB      SER  25   1.852   6.632   1.535
  191    HG   SER  25           HG       SER  25   2.924   8.618   2.088
  192    H    HIS  26           H        HIS  26   2.099   3.898   1.986
  193    HA   HIS  26           HA       HIS  26   3.271   3.617   4.578
  194    HB2  HIS  26           1HB      HIS  26   1.163   2.697   4.433
  195    HB3  HIS  26           2HB      HIS  26   1.441   1.940   2.884
  196    HD1  HIS  26           1HD      HIS  26   1.995   1.258   6.595
  197    HD2  HIS  26           2HD      HIS  26   2.610  -0.505   2.824
  198    HE1  HIS  26           1HE      HIS  26   2.490  -1.185   7.053
  199    H    ILE  27           H        ILE  27   3.946   1.765   1.545
  200    HA   ILE  27           HA       ILE  27   5.836   0.014   2.765
  201    HB   ILE  27           HB       ILE  27   5.801   0.966  -0.121
  202   HG12  ILE  27          1HG1      ILE  27   4.584  -1.600   1.004
  203   HG13  ILE  27          2HG1      ILE  27   3.644  -0.153   0.723
  204   HG21  ILE  27          1HG2      ILE  27   7.068  -1.079  -0.596
  205   HG22  ILE  27          2HG2      ILE  27   7.930  -0.122   0.599
  206   HG23  ILE  27          3HG2      ILE  27   6.995  -1.550   1.116
  207   HD11  ILE  27          3HD1      ILE  27   3.341  -1.571  -1.171
  208   HD12  ILE  27          1HD1      ILE  27   4.323  -0.184  -1.688
  209   HD13  ILE  27          2HD1      ILE  27   5.084  -1.766  -1.401
  210    H    ARG  28           H        ARG  28   6.239   3.345   1.596
  211    HA   ARG  28           HA       ARG  28   9.155   3.277   1.960
  212    HB2  ARG  28           1HB      ARG  28   7.414   5.739   1.788
  213    HB3  ARG  28           2HB      ARG  28   9.138   5.584   1.458
  214    HG2  ARG  28           1HG      ARG  28   6.800   4.733  -0.249
  215    HG3  ARG  28           2HG      ARG  28   8.143   5.797  -0.661
  216    HD2  ARG  28           1HD      ARG  28   9.601   3.658  -0.397
  217    HD3  ARG  28           2HD      ARG  28   8.071   2.770  -0.460
  218    HE   ARG  28           HE       ARG  28   9.461   4.132  -2.645
  219   HH11  ARG  28          2HH1      ARG  28   6.249   2.973  -1.754
  220   HH12  ARG  28          1HH1      ARG  28   5.890   2.541  -3.405
  221   HH21  ARG  28          2HH2      ARG  28   8.822   3.726  -4.714
  222   HH22  ARG  28          1HH2      ARG  28   7.253   3.055  -5.033
  223    H    GLU  29           H        GLU  29   6.391   4.322   3.990
  224    HA   GLU  29           HA       GLU  29   7.897   5.725   5.923
  225    HB2  GLU  29           1HB      GLU  29   5.611   6.173   5.355
  226    HB3  GLU  29           2HB      GLU  29   5.149   4.499   5.610
  227    HG2  GLU  29           1HG      GLU  29   4.274   5.811   7.290
  228    HG3  GLU  29           2HG      GLU  29   5.424   4.663   7.965
  229    H    VAL  30           H        VAL  30   6.855   2.322   5.758
  230    HA   VAL  30           HA       VAL  30   8.271   1.800   8.360
  231    HB   VAL  30           HB       VAL  30   6.002   1.960   8.721
  232   HG11  VAL  30          1HG1      VAL  30   4.314   0.347   7.789
  233   HG12  VAL  30          2HG1      VAL  30   4.861   1.638   6.740
  234   HG13  VAL  30          3HG1      VAL  30   5.495  -0.019   6.507
  235   HG21  VAL  30          3HG2      VAL  30   7.156   0.129   9.969
  236   HG22  VAL  30          1HG2      VAL  30   5.411  -0.147   9.766
  237   HG23  VAL  30          2HG2      VAL  30   6.554  -1.028   8.747
  238    H    HIS  31           H        HIS  31   7.754   0.577   5.125
  239    HA   HIS  31           HA       HIS  31   9.514  -1.761   5.820
  240    HB2  HIS  31           1HB      HIS  31   8.057  -1.311   3.219
  241    HB3  HIS  31           2HB      HIS  31   8.949  -2.731   3.726
  242    HD1  HIS  31           1HD      HIS  31   7.714  -3.392   6.507
  243    HD2  HIS  31           2HD      HIS  31   5.595  -2.109   3.119
  244    HE1  HIS  31           1HE      HIS  31   5.343  -4.239   6.811
  245    H    GLY  32           H        GLY  32   9.677   1.374   4.542
  246    HA2  GLY  32           1HA      GLY  32  11.354   2.626   3.660
  247    HA3  GLY  32           2HA      GLY  32  12.461   1.515   4.477
  248    H    ALA  33           H        ALA  33  10.343   0.717   1.660
  249    HA   ALA  33           HA       ALA  33  12.499  -0.438   0.224
  250    HB1  ALA  33           1HB      ALA  33   9.719   0.330  -0.742
  251    HB2  ALA  33           2HB      ALA  33  10.812  -0.850  -1.484
  252    HB3  ALA  33           3HB      ALA  33  10.126  -1.186   0.113
  253    H    ALA  34           H        ALA  34  13.085   0.045  -1.838
  254    HA   ALA  34           HA       ALA  34  12.922   2.717  -3.008
  255    HB1  ALA  34           1HB      ALA  34  15.609   1.582  -2.101
  256    HB2  ALA  34           2HB      ALA  34  15.379   3.030  -3.106
  257    HB3  ALA  34           3HB      ALA  34  14.794   3.013  -1.432
  258    H    GLN  35           H        GLN  35  12.681   2.448  -5.086
  259    HA   GLN  35           HA       GLN  35  14.099   0.426  -6.679
  260    HB2  GLN  35           1HB      GLN  35  12.085  -0.482  -7.697
  261    HB3  GLN  35           2HB      GLN  35  12.116  -0.802  -5.967
  262    HG2  GLN  35           1HG      GLN  35  10.511   1.087  -5.598
  263    HG3  GLN  35           2HG      GLN  35  10.459   1.361  -7.345
  264   HE21  GLN  35          1HE2      GLN  35   9.632  -0.525  -8.722
  265   HE22  GLN  35          2HE2      GLN  35   8.440  -1.580  -7.976