*HEADER    TRANSCRIPTION                           26-JAN-15   2RUZ              
*TITLE     SOLUTION STRUCTURES OF THE DNA-BINDING DOMAIN (ZF11) OF IMMUNE-RELATED
*TITLE    2 ZINC-FINGER PROTEIN ZFAT                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZINC FINGER PROTEIN ZFAT;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 796-826;                                      
*COMPND   5 SYNONYM: ZINC FINGER GENE IN AITD SUSCEPTIBILITY REGION, ZINC FINGER 
*COMPND   6 PROTEIN 406;                                                         
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: ZFAT, KIAA1485, ZFAT1, ZNF406;                                 
*SOURCE   6 EXPRESSION_SYSTEM: CELL-FREE SYNTHESIS;                              
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: P060718-05                                 
*KEYWDS    ZFAT, ZINC FINGER, TRANSCRIPTION                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.TOCHIO, T.UMEHARA, T.KIGAWA, S.YOKOYAMA                             
*REVDAT   1   08-APR-15 2RUZ    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 CG2 CG1 HB
 &rst iat=70,74,78,73, &end
#
#  chirality for residue 8 atoms:  CB CD1 HG12 HG13
 &rst iat=72,81,79,80, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=68,85,71,72, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=89,94,92,93, &end
#
#  chirality for residue 9 atoms:  CB CD1 CD2 HG
 &rst iat=91,96,100,95, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=87,104,90,91, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=108,113,111,112, &end
#
#  chirality for residue 10 atoms:  CB CD1 CD2 HG
 &rst iat=110,115,119,114, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=106,123,109,110, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=127,132,130,131, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=129,135,133,134, &end
#
#  chirality for residue 11 atoms:  CD NZ HE2 HE3
 &rst iat=135,141,139,140, &end
#
#  chirality for residue 11 atoms:  CG CE HD2 HD3
 &rst iat=132,138,136,137, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=125,145,128,129, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=167,161,165,166, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=164,158,162,163, &end
#
#  chirality for residue 13 atoms:  CG N HD2 HD3
 &rst iat=161,157,159,160, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=157,169,168,164, &end
#
#  chirality for residue 14 atoms:  CA CG2 OG1 HB
 &rst iat=173,177,181,176, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=171,183,174,175, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=187,192,190,191, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=185,195,188,189, &end
#
#  chirality for residue 16 atoms:  N C HA2 HA3
 &rst iat=197,202,200,201, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=216,221,219,220, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=214,224,217,218, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=228,233,231,232, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=226,245,229,230, &end
#
#  chirality for residue 20 atoms:  CA OG HB2 HB3
 &rst iat=249,254,252,253, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=247,256,250,251, &end
#
#  chirality for residue 21 atoms:  CA CG2 OG1 HB
 &rst iat=260,264,268,263, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=258,270,261,262, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=282,276,280,281, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=279,273,277,278, &end
#
#  chirality for residue 22 atoms:  CG N HD2 HD3
 &rst iat=276,272,274,275, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=272,284,283,279, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=288,293,291,292, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=286,296,289,290, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=300,305,303,304, &end
#
#  chirality for residue 24 atoms:  CB CD HG2 HG3
 &rst iat=302,308,306,307, &end
#
#  chirality for residue 24 atoms:  CD NZ HE2 HE3
 &rst iat=308,314,312,313, &end
#
#  chirality for residue 24 atoms:  CG CE HD2 HD3
 &rst iat=305,311,309,310, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=298,318,301,302, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=322,327,325,326, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=320,339,323,324, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=343,348,346,347, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=345,351,349,350, &end
#
#  chirality for residue 26 atoms:  CD NZ HE2 HE3
 &rst iat=351,357,355,356, &end
#
#  chirality for residue 26 atoms:  CG CE HD2 HD3
 &rst iat=348,354,352,353, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=341,361,344,345, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=365,370,368,369, &end
#
#  chirality for residue 27 atoms:  CB CD1 CD2 HG
 &rst iat=367,372,376,371, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=363,380,366,367, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=384,389,387,388, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=386,392,390,391, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=382,397,385,386, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=399,407,402,403, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=411,416,414,415, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=409,424,412,413, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=428,433,431,432, &end
#
#  chirality for residue 31 atoms:  CB CD1 CD2 HG
 &rst iat=430,435,439,434, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=426,443,429,430, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=447,452,450,451, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=449,455,453,454, &end
#
#  chirality for residue 32 atoms:  CD NZ HE2 HE3
 &rst iat=455,461,459,460, &end
#
#  chirality for residue 32 atoms:  CG CE HD2 HD3
 &rst iat=452,458,456,457, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=445,465,448,449, &end
#
#  chirality for residue 33 atoms:  CA CG1 CG2 HB
 &rst iat=469,473,477,472, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=467,481,470,471, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=485,490,488,489, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=483,498,486,487, &end
#
#  chirality for residue 35 atoms:  CA CG2 OG1 HB
 &rst iat=502,506,510,505, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=500,512,503,504, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=514,522,517,518, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=526,531,529,530, &end
#
#  chirality for residue 37 atoms:  CB CD1 CD2 HG
 &rst iat=528,533,537,532, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=524,541,527,528, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=545,550,548,549, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=543,553,546,547, &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=89,87,85,70, &end
#
#  trans-omega constraint for residue 10
 &rst iat=108,106,104,89, &end
#
#  trans-omega constraint for residue 11
 &rst iat=127,125,123,108, &end
#
#  trans-omega constraint for residue 12
 &rst iat=149,147,145,127, &end
#
#  trans-omega constraint for residue 13
 &rst iat=167,157,155,149, &end
#
#  trans-omega constraint for residue 14
 &rst iat=173,171,169,167, &end
#
#  trans-omega constraint for residue 15
 &rst iat=187,185,183,173, &end
#
#  trans-omega constraint for residue 16
 &rst iat=199,197,195,187, &end
#
#  trans-omega constraint for residue 17
 &rst iat=206,204,202,199, &end
#
#  trans-omega constraint for residue 18
 &rst iat=216,214,212,206, &end
#
#  trans-omega constraint for residue 19
 &rst iat=228,226,224,216, &end
#
#  trans-omega constraint for residue 20
 &rst iat=249,247,245,228, &end
#
#  trans-omega constraint for residue 21
 &rst iat=260,258,256,249, &end
#
#  trans-omega constraint for residue 22
 &rst iat=282,272,270,260, &end
#
#  trans-omega constraint for residue 23
 &rst iat=288,286,284,282, &end
#
#  trans-omega constraint for residue 24
 &rst iat=300,298,296,288, &end
#
#  trans-omega constraint for residue 25
 &rst iat=322,320,318,300, &end
#
#  trans-omega constraint for residue 26
 &rst iat=343,341,339,322, &end
#
#  trans-omega constraint for residue 27
 &rst iat=365,363,361,343, &end
#
#  trans-omega constraint for residue 28
 &rst iat=384,382,380,365, &end
#
#  trans-omega constraint for residue 29
 &rst iat=401,399,397,384, &end
#
#  trans-omega constraint for residue 30
 &rst iat=411,409,407,401, &end
#
#  trans-omega constraint for residue 31
 &rst iat=428,426,424,411, &end
#
#  trans-omega constraint for residue 32
 &rst iat=447,445,443,428, &end
#
#  trans-omega constraint for residue 33
 &rst iat=469,467,465,447, &end
#
#  trans-omega constraint for residue 34
 &rst iat=485,483,481,469, &end
#
#  trans-omega constraint for residue 35
 &rst iat=502,500,498,485, &end
#
#  trans-omega constraint for residue 36
 &rst iat=516,514,512,502, &end
#
#  trans-omega constraint for residue 37
 &rst iat=526,524,522,516, &end
#
#  trans-omega constraint for residue 38
 &rst iat=545,543,541,526, &end
#
# 7 GLY QA 8 ILE HB 5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 igr1=  64,  65,
 &end
#
# 7 GLY QA 8 ILE HN 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=  64,  65,
 &end
#
# 7 GLY QA 8 ILE QD1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  64,  65,
 igr2=  82,  83,  84,
 &end
#
# 7 GLY QA 8 ILE QG1 5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1=  64,  65,
 igr2=  79,  80,
 &end
#
# 7 GLY QA 8 ILE QG2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  64,  65,
 igr2=  75,  76,  77,
 &end
#
# 8 ILE HA 8 ILE HG12 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  79, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 8 ILE HA 8 ILE HG13 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  80, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 8 ILE HA 8 ILE QD1 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=  82,  83,  84,
 &end
#
# 8 ILE HA 8 ILE QG2 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=  75,  76,  77,
 &end
#
# 8 ILE HA 9 LEU HN 2.70
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  88, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 8 ILE HB 8 ILE QD1 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=  82,  83,  84,
 &end
#
# 8 ILE HB 9 LEU HN 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  88, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 8 ILE HN 8 ILE HB 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  73, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 8 ILE HN 8 ILE HG12 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  79, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 8 ILE HN 8 ILE HG13 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  80, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 8 ILE HN 8 ILE QD1 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=  82,  83,  84,
 &end
#
# 8 ILE HN 8 ILE QG2 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=  75,  76,  77,
 &end
#
# 8 ILE HN 9 LEU HN 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  88, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 8 ILE QG2 8 ILE HG12 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  79, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=  75,  76,  77,
 &end
#
# 8 ILE QG2 8 ILE HG13 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=  75,  76,  77,
 &end
#
# 8 ILE QG2 8 ILE QG1 3.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1=  75,  76,  77,
 igr2=  79,  80,
 &end
#
# 8 ILE QG2 9 LEU HN 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1=  75,  76,  77,
 &end
#
# 9 LEU HA 10 LEU HA 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 109, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 9 LEU HA 10 LEU HB2 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 111, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 9 LEU HA 10 LEU HG 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 114, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 9 LEU HA 10 LEU HN 2.74
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 107, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
# 9 LEU HA 20 SER HB2 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 252, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 9 LEU HA 21 THR HN 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 259, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 9 LEU HA 22 PRO HA 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 283, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 9 LEU HA 22 PRO HB2 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 280, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 9 LEU HA 22 PRO HB3 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 281, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 9 LEU HA 22 PRO QB 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 280, 281,
 &end
#
# 9 LEU HA 9 LEU HG 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  95, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 9 LEU HA 9 LEU QD1 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=  97,  98,  99,
 &end
#
# 9 LEU HA 9 LEU QD2 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 101, 102, 103,
 &end
#
# 9 LEU HA 9 LEU QQD 3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=  97,  98,  99, 101, 102, 103,
 &end
#
# 9 LEU HB2 10 LEU HN 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 107, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 9 LEU HB2 20 SER HB2 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 252, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 9 LEU HB2 9 LEU QD1 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=  97,  98,  99,
 &end
#
# 9 LEU HB2 9 LEU QD2 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 101, 102, 103,
 &end
#
# 9 LEU HB3 10 LEU HN 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 107, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 9 LEU HB3 20 SER HB2 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 252, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 9 LEU HB3 9 LEU QD1 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=  97,  98,  99,
 &end
#
# 9 LEU HB3 9 LEU QD2 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 101, 102, 103,
 &end
#
# 9 LEU HG 20 SER HB2 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 252, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 9 LEU HN 10 LEU HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 107, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 9 LEU HN 22 PRO QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 280, 281,
 &end
#
# 9 LEU HN 9 LEU HB2 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  92, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 9 LEU HN 9 LEU HB3 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  93, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 9 LEU HN 9 LEU HG 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  95, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 9 LEU HN 9 LEU QB 3.08
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2=  92,  93,
 &end
#
# 9 LEU HN 9 LEU QD1 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=  97,  98,  99,
 &end
#
# 9 LEU HN 9 LEU QD2 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 101, 102, 103,
 &end
#
# 9 LEU QB 10 LEU HN 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1=  92,  93,
 &end
#
# 9 LEU QB 20 SER HA 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=  92,  93,
 &end
#
# 9 LEU QB 20 SER HB2 3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=  92,  93,
 &end
#
# 9 LEU QB 20 SER HB3 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  92,  93,
 &end
#
# 9 LEU QB 21 THR HN 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=  92,  93,
 &end
#
# 9 LEU QB 22 PRO HA 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=  92,  93,
 &end
#
# 9 LEU QD1 10 LEU HN 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=  97,  98,  99,
 &end
#
# 9 LEU QD1 20 SER HB2 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1=  97,  98,  99,
 &end
#
# 9 LEU QD1 21 THR HA 5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 261, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=  97,  98,  99,
 &end
#
# 9 LEU QD1 22 PRO HA 5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1=  97,  98,  99,
 &end
#
# 9 LEU QD1 22 PRO HD3 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=  97,  98,  99,
 &end
#
# 9 LEU QD1 22 PRO QG 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1=  97,  98,  99,
 igr2= 277, 278,
 &end
#
# 9 LEU QD2 10 LEU HN 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 101, 102, 103,
 &end
#
# 9 LEU QD2 20 SER HB2 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 101, 102, 103,
 &end
#
# 9 LEU QD2 21 THR HA 5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 261, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 101, 102, 103,
 &end
#
# 9 LEU QD2 22 PRO HA 5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 101, 102, 103,
 &end
#
# 9 LEU QD2 22 PRO HD3 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 101, 102, 103,
 &end
#
# 9 LEU QD2 22 PRO QG 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 101, 102, 103,
 igr2= 277, 278,
 &end
#
# 9 LEU QQD 10 LEU HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
# 9 LEU QQD 20 SER HA 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
# 9 LEU QQD 20 SER HB2 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
# 9 LEU QQD 20 SER HB3 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
# 9 LEU QQD 21 THR HA 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 261, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
# 9 LEU QQD 21 THR HN 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
# 9 LEU QQD 22 PRO HA 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
# 9 LEU QQD 22 PRO HD2 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
# 9 LEU QQD 22 PRO HD3 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=  97,  98,  99, 101, 102, 103,
 &end
#
# 9 LEU QQD 22 PRO QB 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2= 280, 281,
 &end
#
# 9 LEU QQD 22 PRO QG 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=  97,  98,  99, 101, 102, 103,
 igr2= 277, 278,
 &end
#
# 10 LEU HA 10 LEU HG 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 114, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 10 LEU HA 10 LEU QD1 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 116, 117, 118,
 &end
#
# 10 LEU HA 10 LEU QD2 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 120, 121, 122,
 &end
#
# 10 LEU HA 11 LYS HB2 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 130, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 10 LEU HA 11 LYS HN 2.69
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 126, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,  &end
#
# 10 LEU HA 11 LYS QG 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 133, 134,
 &end
#
# 10 LEU HA 27 LEU QD2 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 377, 378, 379,
 &end
#
# 10 LEU HB2 10 LEU QD1 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 116, 117, 118,
 &end
#
# 10 LEU HB2 10 LEU QD2 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 120, 121, 122,
 &end
#
# 10 LEU HB2 11 LYS HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 126, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 10 LEU HB2 20 SER HA 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 250, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 10 LEU HB2 21 THR HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 259, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 10 LEU HB2 21 THR QG2 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 265, 266, 267,
 &end
#
# 10 LEU HB2 22 PRO HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 283, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 LEU HB2 27 LEU QD2 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2= 377, 378, 379,
 &end
#
# 10 LEU HB3 10 LEU QD1 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 116, 117, 118,
 &end
#
# 10 LEU HB3 10 LEU QD2 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 120, 121, 122,
 &end
#
# 10 LEU HB3 11 LYS HN 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 126, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 10 LEU HB3 21 THR HN 5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 259, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
# 10 LEU HB3 21 THR QG2 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 265, 266, 267,
 &end
#
# 10 LEU HB3 27 LEU QD2 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 377, 378, 379,
 &end
#
# 10 LEU HG 21 THR HN 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 259, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 10 LEU HG 21 THR QG2 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 265, 266, 267,
 &end
#
# 10 LEU HG 22 PRO HA 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 283, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 10 LEU HN 10 LEU HB2 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 111, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 10 LEU HN 10 LEU HB3 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 112, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 10 LEU HN 10 LEU HG 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 114, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 10 LEU HN 10 LEU QD1 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 116, 117, 118,
 &end
#
# 10 LEU HN 10 LEU QD2 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 120, 121, 122,
 &end
#
# 10 LEU HN 11 LYS HN 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 126, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 10 LEU HN 21 THR QG2 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 265, 266, 267,
 &end
#
# 10 LEU HN 22 PRO HA 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 283, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 10 LEU HN 27 LEU QD2 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2= 377, 378, 379,
 &end
#
# 10 LEU QD1 21 THR QG2 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 116, 117, 118,
 igr2= 265, 266, 267,
 &end
#
# 10 LEU QD1 22 PRO HA 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 116, 117, 118,
 &end
#
# 10 LEU QD1 23 ASP HN 5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 116, 117, 118,
 &end
#
# 10 LEU QD1 24 LYS HA 3.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 116, 117, 118,
 &end
#
# 10 LEU QD1 24 LYS HB2 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 303, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 116, 117, 118,
 &end
#
# 10 LEU QD1 24 LYS HB3 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 116, 117, 118,
 &end
#
# 10 LEU QD1 24 LYS HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 116, 117, 118,
 &end
#
# 10 LEU QD1 24 LYS QD 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 116, 117, 118,
 igr2= 309, 310,
 &end
#
# 10 LEU QD1 24 LYS QG 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 116, 117, 118,
 igr2= 306, 307,
 &end
#
# 10 LEU QD1 27 LEU HB2 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 116, 117, 118,
 &end
#
# 10 LEU QD1 27 LEU HB3 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 116, 117, 118,
 &end
#
# 10 LEU QD1 27 LEU HN 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 116, 117, 118,
 &end
#
# 10 LEU QD2 11 LYS HN 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 120, 121, 122,
 &end
#
# 10 LEU QD2 22 PRO HA 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 120, 121, 122,
 &end
#
# 10 LEU QD2 24 LYS HA 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 120, 121, 122,
 &end
#
# 11 LYS HA 11 LYS HD2 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 136, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 11 LYS HA 11 LYS HD3 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 137, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 11 LYS HA 11 LYS QD 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 136, 137,
 &end
#
# 11 LYS HA 11 LYS QE 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 139, 140,
 &end
#
# 11 LYS HA 11 LYS QG 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 133, 134,
 &end
#
# 11 LYS HA 12 CYM  HN 2.78
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 148, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,  &end
#
# 11 LYS HA 20 SER HA 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 250, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 11 LYS HA 20 SER HB2 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 252, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 11 LYS HA 20 SER HB3 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 253, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 11 LYS HA 21 THR HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 259, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 11 LYS HB2 11 LYS QE 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 139, 140,
 &end
#
# 11 LYS HB2 11 LYS QG 2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
 igr2= 133, 134,
 &end
#
# 11 LYS HB2 12 CYM  HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 148, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 11 LYS HB2 20 SER HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 LYS HB3 11 LYS QE 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2= 139, 140,
 &end
#
# 11 LYS HB3 12 CYM  HN 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 148, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 11 LYS HD2 20 SER HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 LYS HD3 20 SER HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 LYS HN 11 LYS HB2 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 130, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 11 LYS HN 11 LYS HB3 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 131, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 11 LYS HN 11 LYS QG 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 133, 134,
 &end
#
# 11 LYS HN 27 LEU QD2 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 377, 378, 379,
 &end
#
# 11 LYS QG 11 LYS QE 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 133, 134,
 igr2= 139, 140,
 &end
#
# 11 LYS QG 12 CYM  HN 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 133, 134,
 &end
#
# 11 LYS QG 20 SER HB2 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 133, 134,
 &end
#
# 11 LYS QG 20 SER HB3 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 133, 134,
 &end
#
# 12 CYM  HA 13 PRO QD 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 159, 160,
 &end
#
# 12 CYM  HA 13 PRO QG 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 162, 163,
 &end
#
# 12 CYM  HA 19 TYR HB3 5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 232, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 12 CYM  HA 19 TYR QD 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 235, 244,
 &end
#
# 12 CYM  HA 27 LEU QD1 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 373, 374, 375,
 &end
#
# 12 CYM  HA 27 LEU QD2 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 377, 378, 379,
 &end
#
# 12 CYM  HA 30 HIS HD2 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 423, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 12 CYM  HB2 13 PRO QD 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 159, 160,
 &end
#
# 12 CYM  HB2 14 THR HN 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 172, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 12 CYM  HB2 19 TYR HB2 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 231, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 12 CYM  HB2 19 TYR HB3 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 232, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 12 CYM  HB2 19 TYR HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 227, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 12 CYM  HB2 19 TYR QD 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 235, 244,
 &end
#
# 12 CYM  HB2 19 TYR QE 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 237, 242,
 &end
#
# 12 CYM  HB2 27 LEU QD1 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 373, 374, 375,
 &end
#
# 12 CYM  HB2 30 HIS HD2 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 423, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 12 CYM  HB3 14 THR HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 172, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 12 CYM  HB3 19 TYR HB2 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 231, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 12 CYM  HB3 19 TYR HB3 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 232, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 12 CYM  HB3 19 TYR HN 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 227, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 12 CYM  HB3 19 TYR QD 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 235, 244,
 &end
#
# 12 CYM  HB3 27 LEU QD1 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 373, 374, 375,
 &end
#
# 12 CYM  HB3 30 HIS HD2 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 152, 423, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 12 CYM  HB3 31 LEU QQD 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 12 CYM  HN 12 CYM  HB2 3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 153, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 12 CYM  HN 12 CYM  HB3 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 12 CYM  HN 19 TYR HB3 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 232, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 12 CYM  HN 19 TYR QD 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 235, 244,
 &end
#
# 12 CYM  HN 19 TYR QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 237, 242,
 &end
#
# 12 CYM  HN 20 SER HA 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 250, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 12 CYM  HN 20 SER HB2 5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 252, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 12 CYM  HN 20 SER HB3 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 253, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 12 CYM  HN 27 LEU QD1 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 373, 374, 375,
 &end
#
# 13 PRO HD2 27 LEU QD1 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 373, 374, 375,
 &end
#
# 13 PRO HD3 27 LEU QD1 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 373, 374, 375,
 &end
#
# 13 PRO QD 14 THR HN 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 159, 160,
 &end
#
# 13 PRO QD 27 LEU HG 5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 371, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 159, 160,
 &end
#
# 13 PRO QD 27 LEU QD1 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 159, 160,
 igr2= 373, 374, 375,
 &end
#
# 13 PRO QD 27 LEU QD2 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 159, 160,
 igr2= 377, 378, 379,
 &end
#
# 13 PRO QD 31 LEU QQD 3.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 159, 160,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 13 PRO QG 14 THR HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 162, 163,
 &end
#
# 13 PRO QG 31 LEU QQD 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 162, 163,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 14 THR HA 14 THR QG2 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 178, 179, 180,
 &end
#
# 14 THR HA 15 ASP HN 2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 186, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
# 14 THR HA 15 ASP QB 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 190, 191,
 &end
#
# 14 THR HB 15 ASP HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 186, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 14 THR HB 17 CYM  HB2 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 210, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 14 THR HB 17 CYM  HB3 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 209, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 14 THR HB 17 CYM  HN 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 205, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 14 THR HB 34 HIS HE1 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 494, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 14 THR HN 14 THR HB 2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 176, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 14 THR HN 14 THR QG2 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 178, 179, 180,
 &end
#
# 14 THR HN 17 CYM  HB2 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 210, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 14 THR HN 17 CYM  HB3 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 209, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 14 THR HN 17 CYM  QB 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 210, 209,
 &end
#
# 14 THR HN 31 LEU QQD 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 14 THR QG2 15 ASP HA 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 178, 179, 180,
 &end
#
# 14 THR QG2 15 ASP HN 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 178, 179, 180,
 &end
#
# 14 THR QG2 15 ASP QB 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 178, 179, 180,
 igr2= 190, 191,
 &end
#
# 14 THR QG2 17 CYM  HB2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 178, 179, 180,
 &end
#
# 14 THR QG2 17 CYM  HB3 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 209, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 178, 179, 180,
 &end
#
# 14 THR QG2 17 CYM  HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 205, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 178, 179, 180,
 &end
#
# 14 THR QG2 17 CYM  QB 3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 178, 179, 180,
 igr2= 210, 209,
 &end
#
# 14 THR QG2 34 HIS HB2 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 178, 179, 180,
 &end
#
# 14 THR QG2 34 HIS HB3 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 178, 179, 180,
 &end
#
# 14 THR QG2 34 HIS HD2 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 178, 179, 180,
 &end
#
# 14 THR QG2 34 HIS HE1 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 178, 179, 180,
 &end
#
# 15 ASP HA 16 GLY QA 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 200, 201,
 &end
#
# 15 ASP HA 17 CYM  HN 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 205, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 15 ASP HN 15 ASP QB 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 190, 191,
 &end
#
# 15 ASP QB 16 GLY HN 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 190, 191,
 &end
#
# 16 GLY HN 17 CYM  HN 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 205, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 16 GLY HN 17 CYM  QB 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 210, 209,
 &end
#
# 17 CYM  HA 18 ASP HN 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 215, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 17 CYM  HA 19 TYR HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 232, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 CYM  HA 19 TYR HN 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 227, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 17 CYM  HA 34 HIS HE1 4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 494, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 17 CYM  HB2 34 HIS HE1 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 494, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 17 CYM  HB3 34 HIS HE1 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 494, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 17 CYM  HN 17 CYM  HB2 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 210, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 17 CYM  HN 17 CYM  HB3 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 209, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 17 CYM  HN 18 ASP HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 215, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 17 CYM  QB 19 TYR HN 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 210, 209,
 &end
#
# 17 CYM  QB 34 HIS HE1 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 210, 209,
 &end
#
# 18 ASP HN 18 ASP QB 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 219, 220,
 &end
#
# 18 ASP HN 19 TYR HN 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 227, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 19 TYR HA 19 TYR QD 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 235, 244,
 &end
#
# 19 TYR HA 19 TYR QE 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 237, 242,
 &end
#
# 19 TYR HA 20 SER HA 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 250, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 19 TYR HA 20 SER HN 2.65
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 248, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
# 19 TYR HB2 20 SER HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 248, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 19 TYR HB2 30 HIS HE1 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 420, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 19 TYR HB3 20 SER HN 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 248, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 19 TYR HB3 27 LEU QD1 5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2= 373, 374, 375,
 &end
#
# 19 TYR HB3 30 HIS HD2 4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 423, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 19 TYR HB3 30 HIS HE1 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 420, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 19 TYR HN 19 TYR HB2 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 231, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 19 TYR HN 19 TYR HB3 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 232, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 19 TYR HN 19 TYR QD 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 235, 244,
 &end
#
# 19 TYR HN 20 SER HN 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 248, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 19 TYR HN 30 HIS HE1 5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 420, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 19 TYR QD 20 SER HA 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 235, 244,
 &end
#
# 19 TYR QD 20 SER HN 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 235, 244,
 &end
#
# 19 TYR QD 21 THR HN 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 235, 244,
 &end
#
# 19 TYR QD 21 THR QG2 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 235, 244,
 igr2= 265, 266, 267,
 &end
#
# 19 TYR QD 27 LEU HA 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 235, 244,
 &end
#
# 19 TYR QD 27 LEU HB2 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 235, 244,
 &end
#
# 19 TYR QD 27 LEU QD1 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 235, 244,
 igr2= 373, 374, 375,
 &end
#
# 19 TYR QD 27 LEU QD2 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 235, 244,
 igr2= 377, 378, 379,
 &end
#
# 19 TYR QD 30 HIS HB2 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 235, 244,
 &end
#
# 19 TYR QD 30 HIS HB3 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 235, 244,
 &end
#
# 19 TYR QD 30 HIS HD2 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 235, 244,
 &end
#
# 19 TYR QD 30 HIS HE1 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 235, 244,
 &end
#
# 19 TYR QE 20 SER HA 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 237, 242,
 &end
#
# 19 TYR QE 20 SER HN 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 237, 242,
 &end
#
# 19 TYR QE 21 THR HB 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 237, 242,
 &end
#
# 19 TYR QE 21 THR HN 4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 237, 242,
 &end
#
# 19 TYR QE 21 THR QG2 3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 237, 242,
 igr2= 265, 266, 267,
 &end
#
# 19 TYR QE 26 LYS HB3 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 237, 242,
 &end
#
# 19 TYR QE 27 LEU HA 3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr1= 237, 242,
 &end
#
# 19 TYR QE 27 LEU HB2 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 237, 242,
 &end
#
# 19 TYR QE 27 LEU HB3 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 237, 242,
 &end
#
# 19 TYR QE 27 LEU HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 237, 242,
 &end
#
# 19 TYR QE 27 LEU QD1 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 237, 242,
 igr2= 373, 374, 375,
 &end
#
# 19 TYR QE 27 LEU QD2 5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 237, 242,
 igr2= 377, 378, 379,
 &end
#
# 19 TYR QE 30 HIS HA 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 237, 242,
 &end
#
# 19 TYR QE 30 HIS HB2 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 237, 242,
 &end
#
# 19 TYR QE 30 HIS HB3 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 237, 242,
 &end
#
# 19 TYR QE 30 HIS HD2 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 237, 242,
 &end
#
# 19 TYR QE 30 HIS HN 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 237, 242,
 &end
#
# 19 TYR QE 31 LEU HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 237, 242,
 &end
#
# 20 SER HA 21 THR HN 2.82
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 259, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
# 20 SER HA 21 THR QG2 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 265, 266, 267,
 &end
#
# 20 SER HA 27 LEU QD1 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 373, 374, 375,
 &end
#
# 20 SER HB2 21 THR HN 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 259, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 20 SER HB3 21 THR HN 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 259, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 20 SER HN 20 SER HB2 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 252, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 20 SER HN 20 SER HB3 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 253, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 20 SER HN 21 THR HN 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 259, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 21 THR HA 21 THR QG2 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 265, 266, 267,
 &end
#
# 21 THR HA 22 PRO HD2 2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 274, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 21 THR HA 22 PRO HD3 2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 275, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 21 THR HA 22 PRO QG 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 277, 278,
 &end
#
# 21 THR HB 22 PRO HD2 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 274, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 21 THR HB 22 PRO HD3 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 275, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 21 THR HB 23 ASP HN 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 287, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 21 THR HB 26 LYS HB2 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 346, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 21 THR HB 26 LYS HB3 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 347, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 21 THR HB 27 LEU HB2 5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 368, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 21 THR HG1 22 PRO HD2 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 274, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 21 THR HG1 22 PRO HD3 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 275, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
# 21 THR HG1 23 ASP HN 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 287, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 21 THR HN 21 THR HB 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 263, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 21 THR HN 21 THR QG2 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 265, 266, 267,
 &end
#
# 21 THR HN 22 PRO HD3 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 275, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 21 THR HN 27 LEU HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 368, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 THR HN 27 LEU QD1 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 373, 374, 375,
 &end
#
# 21 THR HN 27 LEU QD2 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 377, 378, 379,
 &end
#
# 21 THR QG2 22 PRO HD2 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 265, 266, 267,
 &end
#
# 21 THR QG2 22 PRO HD3 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 265, 266, 267,
 &end
#
# 21 THR QG2 23 ASP HB2 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 265, 266, 267,
 &end
#
# 21 THR QG2 23 ASP HB3 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 265, 266, 267,
 &end
#
# 21 THR QG2 23 ASP HN 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 265, 266, 267,
 &end
#
# 21 THR QG2 24 LYS HA 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 301, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 265, 266, 267,
 &end
#
# 21 THR QG2 26 LYS HB2 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 346, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 265, 266, 267,
 &end
#
# 21 THR QG2 26 LYS HB3 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 265, 266, 267,
 &end
#
# 21 THR QG2 26 LYS HN 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 265, 266, 267,
 &end
#
# 21 THR QG2 26 LYS QG 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 265, 266, 267,
 igr2= 349, 350,
 &end
#
# 21 THR QG2 27 LEU HA 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 265, 266, 267,
 &end
#
# 21 THR QG2 27 LEU HB2 3.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 265, 266, 267,
 &end
#
# 21 THR QG2 27 LEU HB3 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 265, 266, 267,
 &end
#
# 21 THR QG2 27 LEU HG 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 371, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 265, 266, 267,
 &end
#
# 21 THR QG2 27 LEU HN 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 265, 266, 267,
 &end
#
# 22 PRO HD2 23 ASP HB2 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 291, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 22 PRO HD2 23 ASP HN 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 287, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 22 PRO HD3 23 ASP HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 287, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 22 PRO QB 23 ASP HN 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 280, 281,
 &end
#
# 22 PRO QG 23 ASP HA 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 277, 278,
 &end
#
# 22 PRO QG 23 ASP HB2 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 277, 278,
 &end
#
# 22 PRO QG 23 ASP HB3 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 277, 278,
 &end
#
# 22 PRO QG 23 ASP HN 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 277, 278,
 &end
#
# 23 ASP HB2 26 LYS HB2 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 346, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 23 ASP HB2 26 LYS HB3 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 347, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
# 23 ASP HB2 26 LYS HD2 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 352, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 23 ASP HB2 26 LYS HD3 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 353, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 23 ASP HB2 26 LYS HG2 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 349, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 23 ASP HB2 26 LYS HG3 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 350, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 23 ASP HB2 26 LYS HN 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 342, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 23 ASP HB2 26 LYS QD 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 352, 353,
 &end
#
# 23 ASP HB2 26 LYS QG 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 349, 350,
 &end
#
# 23 ASP HB3 26 LYS HB2 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 346, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 23 ASP HB3 26 LYS HB3 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 347, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 23 ASP HB3 26 LYS HD2 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 352, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 23 ASP HB3 26 LYS HD3 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 353, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 23 ASP HB3 26 LYS HG2 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 349, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 23 ASP HB3 26 LYS HG3 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 350, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 23 ASP HB3 26 LYS HN 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 342, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 23 ASP HB3 26 LYS QD 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 352, 353,
 &end
#
# 23 ASP HB3 26 LYS QG 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 349, 350,
 &end
#
# 23 ASP HN 23 ASP HB2 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 291, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 23 ASP HN 23 ASP HB3 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 292, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 23 ASP HN 26 LYS HB2 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 346, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 23 ASP HN 27 LEU HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 368, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24 LYS HA 24 LYS QD 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 309, 310,
 &end
#
# 24 LYS HA 27 LEU HB2 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 368, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 24 LYS HA 27 LEU HB3 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 369, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 24 LYS HA 27 LEU HN 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 364, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 24 LYS HA 27 LEU QD2 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 377, 378, 379,
 &end
#
# 24 LYS HB2 24 LYS QD 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 309, 310,
 &end
#
# 24 LYS HB3 24 LYS QD 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 309, 310,
 &end
#
# 24 LYS HG2 24 LYS QE 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 312, 313,
 &end
#
# 24 LYS HG2 25 TYR HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 321, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 24 LYS HG3 24 LYS QE 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 312, 313,
 &end
#
# 24 LYS HG3 25 TYR HN 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 321, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 24 LYS HN 24 LYS QG 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 306, 307,
 &end
#
# 24 LYS HN 25 TYR HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 321, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 24 LYS QD 25 TYR QD 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 309, 310,
 igr2= 329, 338,
 &end
#
# 24 LYS QD 25 TYR QE 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 309, 310,
 igr2= 331, 336,
 &end
#
# 24 LYS QE 25 TYR QD 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 312, 313,
 igr2= 329, 338,
 &end
#
# 24 LYS QE 25 TYR QE 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 312, 313,
 igr2= 331, 336,
 &end
#
# 24 LYS QG 25 TYR HA 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 306, 307,
 &end
#
# 25 TYR HA 25 TYR QD 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 329, 338,
 &end
#
# 25 TYR HA 28 GLN HG2 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 390, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 25 TYR HA 28 GLN HG3 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 391, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 25 TYR HA 28 GLN HN 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 383, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 25 TYR HA 28 GLN QB 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 387, 388,
 &end
#
# 25 TYR HA 29 ALA HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 400, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 25 TYR HB2 26 LYS HN 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 342, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 25 TYR HB3 26 LYS HN 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 342, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 25 TYR HN 25 TYR HB2 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 325, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 25 TYR HN 25 TYR HB3 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 326, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 25 TYR HN 25 TYR QB 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 325, 326,
 &end
#
# 25 TYR HN 25 TYR QD 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 329, 338,
 &end
#
# 25 TYR HN 26 LYS HN 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 342, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 25 TYR HN 27 LEU HN 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 364, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 25 TYR QB 26 LYS HN 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 325, 326,
 &end
#
# 25 TYR QD 26 LYS HN 4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 329, 338,
 &end
#
# 25 TYR QD 28 GLN QB 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 329, 338,
 igr2= 387, 388,
 &end
#
# 26 LYS HA 26 LYS HD2 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 352, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 26 LYS HA 26 LYS HD3 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 353, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 26 LYS HA 26 LYS HG2 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 349, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 26 LYS HA 26 LYS HG3 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 350, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 26 LYS HA 26 LYS QD 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 352, 353,
 &end
#
# 26 LYS HA 26 LYS QG 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 349, 350,
 &end
#
# 26 LYS HA 29 ALA HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 400, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 26 LYS HA 29 ALA QB 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 404, 405, 406,
 &end
#
# 26 LYS HA 30 HIS HN 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 410, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 26 LYS HB2 27 LEU HN 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 364, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 26 LYS HB3 26 LYS QD 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 352, 353,
 &end
#
# 26 LYS HB3 27 LEU HN 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 364, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 26 LYS HN 26 LYS HB2 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 346, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 26 LYS HN 26 LYS HB3 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 347, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 26 LYS HN 26 LYS HG2 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 349, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 26 LYS HN 26 LYS HG3 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 350, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 26 LYS HN 26 LYS QD 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 352, 353,
 &end
#
# 26 LYS HN 26 LYS QG 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 349, 350,
 &end
#
# 26 LYS HN 27 LEU HN 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 364, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 27 LEU HA 27 LEU HG 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 371, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 27 LEU HA 27 LEU QD1 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 373, 374, 375,
 &end
#
# 27 LEU HA 27 LEU QD2 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 377, 378, 379,
 &end
#
# 27 LEU HA 30 HIS HB2 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 414, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 27 LEU HA 30 HIS HB3 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 415, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 27 LEU HA 30 HIS HD2 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 423, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 27 LEU HA 30 HIS HN 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 410, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 27 LEU HA 30 HIS QB 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 414, 415,
 &end
#
# 27 LEU HA 31 LEU HN 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 427, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 27 LEU HB2 27 LEU QD1 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 373, 374, 375,
 &end
#
# 27 LEU HB2 27 LEU QD2 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 377, 378, 379,
 &end
#
# 27 LEU HB2 28 GLN HN 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 383, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 27 LEU HB2 30 HIS HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 410, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 LEU HB3 27 LEU QD1 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 373, 374, 375,
 &end
#
# 27 LEU HB3 27 LEU QD2 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 369,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 377, 378, 379,
 &end
#
# 27 LEU HB3 28 GLN HN 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 383, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 27 LEU HB3 30 HIS HN 5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 410, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 27 LEU HG 28 GLN HA 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 385, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 27 LEU HG 28 GLN HN 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 383, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 27 LEU HG 31 LEU HG 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 434, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 27 LEU HG 31 LEU HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 LEU HG 31 LEU QD1 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 436, 437, 438,
 &end
#
# 27 LEU HG 31 LEU QD2 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 440, 441, 442,
 &end
#
# 27 LEU HG 31 LEU QQD 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 27 LEU HN 27 LEU HB2 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 368, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 27 LEU HN 27 LEU HB3 3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 369, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 27 LEU HN 27 LEU HG 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 371, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 27 LEU HN 27 LEU QD1 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 373, 374, 375,
 &end
#
# 27 LEU HN 27 LEU QD2 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 377, 378, 379,
 &end
#
# 27 LEU HN 29 ALA QB 5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2= 404, 405, 406,
 &end
#
# 27 LEU QD1 30 HIS HB2 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 373, 374, 375,
 &end
#
# 27 LEU QD1 30 HIS HB3 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 373, 374, 375,
 &end
#
# 27 LEU QD1 30 HIS HD2 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 373, 374, 375,
 &end
#
# 27 LEU QD1 30 HIS HN 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 373, 374, 375,
 &end
#
# 27 LEU QD1 30 HIS QB 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 373, 374, 375,
 igr2= 414, 415,
 &end
#
# 27 LEU QD1 31 LEU HB2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 431, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 373, 374, 375,
 &end
#
# 27 LEU QD1 31 LEU HN 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 373, 374, 375,
 &end
#
# 27 LEU QD2 28 GLN HN 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 377, 378, 379,
 &end
#
# 28 GLN HA 28 GLN HG2 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 390, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 28 GLN HA 28 GLN HG3 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 391, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 28 GLN HA 28 GLN QG 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 390, 391,
 &end
#
# 28 GLN HA 31 LEU HB2 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 431, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 28 GLN HA 31 LEU HB3 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 432, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 28 GLN HA 31 LEU HN 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 427, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 28 GLN HA 31 LEU QQD 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 28 GLN HA 32 LYS HN 5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 446, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 28 GLN HB2 29 ALA HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 GLN HB3 29 ALA HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 GLN HG2 29 ALA HN 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 400, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 28 GLN HG3 29 ALA HN 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 400, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 28 GLN HN 28 GLN HG2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 390, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 28 GLN HN 28 GLN HG3 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 391, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 28 GLN HN 28 GLN QB 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 387, 388,
 &end
#
# 28 GLN HN 28 GLN QG 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 390, 391,
 &end
#
# 28 GLN HN 29 ALA HN 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 400, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 28 GLN HN 29 ALA QB 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 404, 405, 406,
 &end
#
# 28 GLN HN 31 LEU QQD 5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 28 GLN QB 29 ALA HA 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 387, 388,
 &end
#
# 28 GLN QB 29 ALA HN 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 387, 388,
 &end
#
# 28 GLN QB 29 ALA QB 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 387, 388,
 igr2= 404, 405, 406,
 &end
#
# 28 GLN QB 31 LEU QQD 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 387, 388,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 28 GLN QG 31 LEU QQD 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
 igr1= 390, 391,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 29 ALA HA 31 LEU HN 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 427, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 29 ALA HA 32 LYS HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 446, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 29 ALA HA 32 LYS QB 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 450, 451,
 &end
#
# 29 ALA HA 32 LYS QD 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 456, 457,
 &end
#
# 29 ALA HA 32 LYS QE 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 459, 460,
 &end
#
# 29 ALA HA 32 LYS QG 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 453, 454,
 &end
#
# 29 ALA HN 29 ALA QB 2.93
 &rst
  ixpk= 0, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 404, 405, 406,
 &end
#
# 29 ALA HN 30 HIS HN 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 410, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 29 ALA QB 30 HIS HA 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 404, 405, 406,
 &end
#
# 29 ALA QB 30 HIS HN 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 404, 405, 406,
 &end
#
# 29 ALA QB 30 HIS QB 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 404, 405, 406,
 igr2= 414, 415,
 &end
#
# 29 ALA QB 31 LEU HN 5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 404, 405, 406,
 &end
#
# 30 HIS HA 32 LYS HN 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 446, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 30 HIS HA 33 VAL HB 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 472, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 30 HIS HA 33 VAL HN 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 468, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 30 HIS HA 33 VAL QG1 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 474, 475, 476,
 &end
#
# 30 HIS HA 33 VAL QG2 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 478, 479, 480,
 &end
#
# 30 HIS HB2 31 LEU HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 427, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 30 HIS HB3 31 LEU HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 427, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 30 HIS HD2 31 LEU HA 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 30 HIS HD2 31 LEU HG 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 434, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 30 HIS HD2 31 LEU HN 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 427, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 30 HIS HD2 31 LEU QQD 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 30 HIS HD2 34 HIS HD2 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 497, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 30 HIS HE1 33 VAL QG1 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 474, 475, 476,
 &end
#
# 30 HIS HE1 33 VAL QG2 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 478, 479, 480,
 &end
#
# 30 HIS HE1 33 VAL QQG 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 474, 475, 476, 478, 479, 480,
 &end
#
# 30 HIS HN 30 HIS HB2 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 414, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 30 HIS HN 30 HIS HB3 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 415, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 30 HIS HN 30 HIS QB 2.77
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr2= 414, 415,
 &end
#
# 30 HIS HN 31 LEU HB2 5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 431, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 30 HIS HN 31 LEU HG 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 434, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 30 HIS HN 32 LYS HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 446, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 30 HIS QB 30 HIS HD2 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1= 414, 415,
 &end
#
# 30 HIS QB 31 LEU HN 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 427, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1= 414, 415,
 &end
#
# 31 LEU HA 31 LEU HG 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 434, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 31 LEU HA 31 LEU QD1 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 436, 437, 438,
 &end
#
# 31 LEU HA 31 LEU QD2 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 440, 441, 442,
 &end
#
# 31 LEU HA 31 LEU QQD 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 429,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 31 LEU HA 33 VAL HN 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 468, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 31 LEU HA 34 HIS HB2 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 488, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 31 LEU HA 34 HIS HD2 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 497, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 31 LEU HA 34 HIS HN 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 484, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 31 LEU HB2 31 LEU QD1 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 436, 437, 438,
 &end
#
# 31 LEU HB2 31 LEU QD2 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 440, 441, 442,
 &end
#
# 31 LEU HB2 31 LEU QQD 3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 31 LEU HB2 32 LYS HN 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 446, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 31 LEU HB2 34 HIS HD2 5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 497, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 31 LEU HB3 31 LEU QD1 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 436, 437, 438,
 &end
#
# 31 LEU HB3 31 LEU QD2 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 440, 441, 442,
 &end
#
# 31 LEU HB3 32 LYS HN 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 446, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 31 LEU HB3 34 HIS HD2 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 497, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 31 LEU HG 32 LYS HN 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 31 LEU HN 31 LEU HB2 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 431, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 31 LEU HN 31 LEU HB3 3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 432, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 31 LEU HN 31 LEU HG 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 434, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 31 LEU HN 31 LEU QD1 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 436, 437, 438,
 &end
#
# 31 LEU HN 31 LEU QD2 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 440, 441, 442,
 &end
#
# 31 LEU HN 31 LEU QQD 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 436, 437, 438, 440, 441, 442,
 &end
#
# 31 LEU HN 32 LYS HN 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 446, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 31 LEU HN 32 LYS QG 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 453, 454,
 &end
#
# 31 LEU HN 33 VAL QQG 5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 427,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 474, 475, 476, 478, 479, 480,
 &end
#
# 31 LEU HN 34 HIS HD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31 LEU QQD 32 LYS HN 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 31 LEU QQD 34 HIS HB2 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 31 LEU QQD 34 HIS HD2 3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 436, 437, 438, 440, 441, 442,
 &end
#
# 32 LYS HA 32 LYS HG2 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 453, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 32 LYS HA 32 LYS HG3 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 454, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 32 LYS HA 32 LYS QD 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 456, 457,
 &end
#
# 32 LYS HA 32 LYS QG 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 453, 454,
 &end
#
# 32 LYS HA 34 HIS HN 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 484, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 32 LYS HA 35 THR HN 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 501, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 32 LYS HA 35 THR QG2 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 507, 508, 509,
 &end
#
# 32 LYS HB2 33 VAL HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 468, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 32 LYS HB3 33 VAL HN 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 468, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 32 LYS HN 32 LYS HB2 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 450, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 32 LYS HN 32 LYS HB3 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 451, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 32 LYS HN 32 LYS HG2 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 453, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 32 LYS HN 32 LYS HG3 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 454, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 32 LYS HN 32 LYS QB 2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 450, 451,
 &end
#
# 32 LYS HN 32 LYS QD 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 456, 457,
 &end
#
# 32 LYS HN 32 LYS QG 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 453, 454,
 &end
#
# 32 LYS HN 33 VAL HN 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 468, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 32 LYS HN 33 VAL QQG 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2= 474, 475, 476, 478, 479, 480,
 &end
#
# 32 LYS QB 33 VAL HN 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 468, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 450, 451,
 &end
#
# 33 VAL HA 33 VAL QG1 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 474, 475, 476,
 &end
#
# 33 VAL HA 33 VAL QG2 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 478, 479, 480,
 &end
#
# 33 VAL HA 33 VAL QQG 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 474, 475, 476, 478, 479, 480,
 &end
#
# 33 VAL HA 36 ALA QB 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 519, 520, 521,
 &end
#
# 33 VAL HB 34 HIS HD2 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33 VAL HB 34 HIS HN 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 484, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 33 VAL HN 33 VAL HB 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 472, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 33 VAL HN 33 VAL QG1 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 474, 475, 476,
 &end
#
# 33 VAL HN 33 VAL QG2 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 478, 479, 480,
 &end
#
# 33 VAL HN 33 VAL QQG 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 474, 475, 476, 478, 479, 480,
 &end
#
# 33 VAL HN 34 HIS HN 3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 484, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 33 VAL QG1 34 HIS HE1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 474, 475, 476,
 &end
#
# 33 VAL QG1 34 HIS HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 474, 475, 476,
 &end
#
# 33 VAL QG2 34 HIS HE1 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 478, 479, 480,
 &end
#
# 33 VAL QG2 34 HIS HN 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 478, 479, 480,
 &end
#
# 33 VAL QQG 34 HIS HA 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 474, 475, 476, 478, 479, 480,
 &end
#
# 33 VAL QQG 34 HIS HD2 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 474, 475, 476, 478, 479, 480,
 &end
#
# 33 VAL QQG 34 HIS HE1 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 474, 475, 476, 478, 479, 480,
 &end
#
# 33 VAL QQG 34 HIS HN 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 474, 475, 476, 478, 479, 480,
 &end
#
# 34 HIS HA 34 HIS HD2 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 497, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 34 HIS HB2 34 HIS HD2 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 497, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 34 HIS HB2 35 THR HN 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 501, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 34 HIS HB2 35 THR QG2 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 507, 508, 509,
 &end
#
# 34 HIS HB3 35 THR HN 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 501, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 34 HIS HN 34 HIS HB2 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 488, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 34 HIS HN 34 HIS HB3 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 489, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 34 HIS HN 34 HIS HD2 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 497, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 34 HIS HN 35 THR HN 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 501, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 34 HIS HN 35 THR QG2 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 507, 508, 509,
 &end
#
# 34 HIS HN 36 ALA HN 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 515, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 35 THR HA 35 THR QG2 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 507, 508, 509,
 &end
#
# 35 THR HB 36 ALA HN 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 515, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 35 THR HN 35 THR HB 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 505, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 35 THR HN 35 THR QG2 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 507, 508, 509,
 &end
#
# 35 THR HN 36 ALA HN 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 515, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 35 THR QG2 36 ALA HN 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 507, 508, 509,
 &end
#
# 36 ALA HA 37 LEU HN 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 525, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 36 ALA HN 36 ALA QB 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 519, 520, 521,
 &end
#
# 36 ALA QB 37 LEU HN 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 519, 520, 521,
 &end
#
# 37 LEU HA 37 LEU QQD 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
# 37 LEU HN 37 LEU HG 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 532, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 37 LEU HN 37 LEU QB 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 529, 530,
 &end
#
# 37 LEU HN 38 ASP HN 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 544, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 37 LEU QB 37 LEU QD1 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 529, 530,
 igr2= 534, 535, 536,
 &end
#
# 37 LEU QB 37 LEU QD2 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 529, 530,
 igr2= 538, 539, 540,
 &end
#
# 37 LEU QB 38 ASP HN 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 529, 530,
 &end
# 556 atoms read from pdb file leap.pdb.
# 10 LEU CHI1:  (10 LEU N)-(10 LEU CA)-(10 LEU CB)-(10 LEU CG) -90.0 -30.0
 &rst     iat =   106,   108,   110,   113,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
   rk2 = 60.0, rk3 = 60.0,    &end
# 10 LEU PHI:  (9 LEU C)-(10 LEU N)-(10 LEU CA)-(10 LEU C) -132.0 -72.0
 &rst     iat =   104,   106,   108,   123,
   r1 = -133.0, r2 = -132.0, r3 = -72.0, r4 = -71.0,
 &end
# 10 LEU PSI:  (10 LEU N)-(10 LEU CA)-(10 LEU C)-(11 LYS N)  93.0 153.0
 &rst     iat =   106,   108,   123,   125,
   r1 =  92.0, r2 =  93.0, r3 = 153.0, r4 = 154.0,
 &end
# 11 LYS PHI:  (10 LEU C)-(11 LYS N)-(11 LYS CA)-(11 LYS C) -142.9 -82.9
 &rst     iat =   123,   125,   127,   145,
   r1 = -143.9, r2 = -142.9, r3 = -82.9, r4 = -81.9,
 &end
# 11 LYS PSI:  (11 LYS N)-(11 LYS CA)-(11 LYS C)-(12 CYM N)  94.6 154.6
 &rst     iat =   125,   127,   145,   147,
   r1 =  93.6, r2 =  94.6, r3 = 154.6, r4 = 155.6,
 &end
# 17 CYS CHI1:  (17 CYM N)-(17 CYM CA)-(17 CYM CB)-(17 CYM SG) 150.0 210.0
 &rst     iat =   204,   206,   208,   211,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 19 TYR CHI1:  (19 TYR N)-(19 TYR CA)-(19 TYR CB)-(19 TYR CG) 150.0 210.0
 &rst     iat =   226,   228,   230,   233,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 19 TYR PHI:  (18 ASP C)-(19 TYR N)-(19 TYR CA)-(19 TYR C) -117.0 -57.0
 &rst     iat =   224,   226,   228,   245,
   r1 = -118.0, r2 = -117.0, r3 = -57.0, r4 = -56.0,
 &end
# 19 TYR PSI:  (19 TYR N)-(19 TYR CA)-(19 TYR C)-(20 SER N)  95.0 155.0
 &rst     iat =   226,   228,   245,   247,
   r1 =  94.0, r2 =  95.0, r3 = 155.0, r4 = 156.0,
 &end
# 20 SER CHI1:  (20 SER N)-(20 SER CA)-(20 SER CB)-(20 SER OG)  30.0  90.0
 &rst     iat =   247,   249,   251,   254,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end
# 20 SER PHI:  (19 TYR C)-(20 SER N)-(20 SER CA)-(20 SER C) -145.0 -85.0
 &rst     iat =   245,   247,   249,   256,
   r1 = -146.0, r2 = -145.0, r3 = -85.0, r4 = -84.0,
 &end
# 20 SER PSI:  (20 SER N)-(20 SER CA)-(20 SER C)-(21 THR N) 129.8 189.8
 &rst     iat =   247,   249,   256,   258,
   r1 = 128.8, r2 = 129.8, r3 = 189.8, r4 = 190.8,
 &end
# 24 LYS PHI:  (23 ASP C)-(24 LYS N)-(24 LYS CA)-(24 LYS C) -91.5 -31.5
 &rst     iat =   296,   298,   300,   318,
   r1 = -92.5, r2 = -91.5, r3 = -31.5, r4 = -30.5,
 &end
# 24 LYS PSI:  (24 LYS N)-(24 LYS CA)-(24 LYS C)-(25 TYR N) -66.8  -6.8
 &rst     iat =   298,   300,   318,   320,
   r1 = -67.8, r2 = -66.8, r3 =  -6.8, r4 =  -5.8,
 &end
# 25 TYR PHI:  (24 LYS C)-(25 TYR N)-(25 TYR CA)-(25 TYR C) -95.5 -35.5
 &rst     iat =   318,   320,   322,   339,
   r1 = -96.5, r2 = -95.5, r3 = -35.5, r4 = -34.5,
 &end
# 25 TYR PSI:  (25 TYR N)-(25 TYR CA)-(25 TYR C)-(26 LYS N) -67.3  -7.3
 &rst     iat =   320,   322,   339,   341,
   r1 = -68.3, r2 = -67.3, r3 =  -7.3, r4 =  -6.3,
 &end
# 26 LYS CHI1:  (26 LYS N)-(26 LYS CA)-(26 LYS CB)-(26 LYS CG) -90.0 -30.0
 &rst     iat =   341,   343,   345,   348,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 26 LYS PHI:  (25 TYR C)-(26 LYS N)-(26 LYS CA)-(26 LYS C) -99.9 -39.9
 &rst     iat =   339,   341,   343,   361,
   r1 = -100.9, r2 = -99.9, r3 = -39.9, r4 = -38.9,
 &end
# 26 LYS PSI:  (26 LYS N)-(26 LYS CA)-(26 LYS C)-(27 LEU N) -63.6  -3.6
 &rst     iat =   341,   343,   361,   363,
   r1 = -64.6, r2 = -63.6, r3 =  -3.6, r4 =  -2.6,
 &end
# 27 LEU CHI1:  (27 LEU N)-(27 LEU CA)-(27 LEU CB)-(27 LEU CG) 150.0 210.0
 &rst     iat =   363,   365,   367,   370,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 27 LEU PHI:  (26 LYS C)-(27 LEU N)-(27 LEU CA)-(27 LEU C) -98.1 -38.1
 &rst     iat =   361,   363,   365,   380,
   r1 = -99.1, r2 = -98.1, r3 = -38.1, r4 = -37.1,
 &end
# 27 LEU PSI:  (27 LEU N)-(27 LEU CA)-(27 LEU C)-(28 GLN N) -67.7  -7.7
 &rst     iat =   363,   365,   380,   382,
   r1 = -68.7, r2 = -67.7, r3 =  -7.7, r4 =  -6.7,
 &end
# 28 GLN PHI:  (27 LEU C)-(28 GLN N)-(28 GLN CA)-(28 GLN C) -94.4 -34.4
 &rst     iat =   380,   382,   384,   397,
   r1 = -95.4, r2 = -94.4, r3 = -34.4, r4 = -33.4,
 &end
# 28 GLN PSI:  (28 GLN N)-(28 GLN CA)-(28 GLN C)-(29 ALA N) -70.0 -10.0
 &rst     iat =   382,   384,   397,   399,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end
# 29 ALA PHI:  (28 GLN C)-(29 ALA N)-(29 ALA CA)-(29 ALA C) -97.1 -37.1
 &rst     iat =   397,   399,   401,   407,
   r1 = -98.1, r2 = -97.1, r3 = -37.1, r4 = -36.1,
 &end
# 29 ALA PSI:  (29 ALA N)-(29 ALA CA)-(29 ALA C)-(30 HID N) -67.5  -7.5
 &rst     iat =   399,   401,   407,   409,
   r1 = -68.5, r2 = -67.5, r3 =  -7.5, r4 =  -6.5,
 &end
# 30 HIS PHI:  (29 ALA C)-(30 HID N)-(30 HID CA)-(30 HID C) -97.0 -37.0
 &rst     iat =   407,   409,   411,   424,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end
# 30 HIS PSI:  (30 HID N)-(30 HID CA)-(30 HID C)-(31 LEU N) -68.6  -8.6
 &rst     iat =   409,   411,   424,   426,
   r1 = -69.6, r2 = -68.6, r3 =  -8.6, r4 =  -7.6,
 &end
# 31 LEU CHI1:  (31 LEU N)-(31 LEU CA)-(31 LEU CB)-(31 LEU CG) -90.0 -30.0
 &rst     iat =   426,   428,   430,   433,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 31 LEU PHI:  (30 HID C)-(31 LEU N)-(31 LEU CA)-(31 LEU C) -96.7 -36.7
 &rst     iat =   424,   426,   428,   443,
   r1 = -97.7, r2 = -96.7, r3 = -36.7, r4 = -35.7,
 &end
# 31 LEU PSI:  (31 LEU N)-(31 LEU CA)-(31 LEU C)-(32 LYS N) -64.2  -4.2
 &rst     iat =   426,   428,   443,   445,
   r1 = -65.2, r2 = -64.2, r3 =  -4.2, r4 =  -3.2,
 &end
# 32 LYS PHI:  (31 LEU C)-(32 LYS N)-(32 LYS CA)-(32 LYS C) -98.7 -38.7
 &rst     iat =   443,   445,   447,   465,
   r1 = -99.7, r2 = -98.7, r3 = -38.7, r4 = -37.7,
 &end
# 32 LYS PSI:  (32 LYS N)-(32 LYS CA)-(32 LYS C)-(33 VAL N) -65.6  -5.6
 &rst     iat =   445,   447,   465,   467,
   r1 = -66.6, r2 = -65.6, r3 =  -5.6, r4 =  -4.6,
 &end
# 33 VAL PHI:  (32 LYS C)-(33 VAL N)-(33 VAL CA)-(33 VAL C) -105.0 -45.0
 &rst     iat =   465,   467,   469,   481,
   r1 = -106.0, r2 = -105.0, r3 = -45.0, r4 = -44.0,
 &end
# 33 VAL PSI:  (33 VAL N)-(33 VAL CA)-(33 VAL C)-(34 HID N) -62.0  -2.0
 &rst     iat =   467,   469,   481,   483,
   r1 = -63.0, r2 = -62.0, r3 =  -2.0, r4 =  -1.0,
 &end
# 34 HIS CHI1:  (34 HID N)-(34 HID CA)-(34 HID CB)-(34 HID CG) -90.0 -30.0
 &rst     iat =   483,   485,   487,   490,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
#
#  12 CYM  SG   17 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 211, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46, 
      rk2=1000, rk3=1000, ir6=1, ialtd=0,
 &end
#
#  12 CYM  SG   30 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 421, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  SG   34 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 495, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  CB   39  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 556, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  12 CYM  SG   39  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 556, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  17 CYM  SG   30 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 421, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  17 CYM  SG   34 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 495, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  17 CYM  CB   39  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 556, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  17 CYM  SG   39  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 556, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  30 HID NE2   34 HID NE2   3.00  3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 495, r1= 2.50, r2= 3.00, r3= 3.60, r4= 4.10,  &end
#
#  30 HID NE2   39  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 556, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#  34 HID NE2   39  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 556, 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   3.017 -16.806  -3.456
    2    H2   GLY   1           2H       GLY   1   2.954 -17.542  -1.997
    3    H3   GLY   1           3H       GLY   1   3.305 -15.944  -2.093
    4    HA2  GLY   1           1HA      GLY   1   1.043 -16.232  -1.343
    5    HA3  GLY   1           2HA      GLY   1   1.110 -15.438  -2.926
    6    H    SER   2           H        SER   2  -1.216 -16.341  -2.675
    7    HA   SER   2           HA       SER   2  -1.436 -18.798  -4.307
    8    HB2  SER   2           1HB      SER   2  -3.181 -19.730  -2.831
    9    HB3  SER   2           2HB      SER   2  -1.599 -19.657  -2.044
   10    HG   SER   2           HG       SER   2  -3.285 -18.910  -0.672
   11    H    SER   3           H        SER   3  -3.600 -19.109  -5.220
   12    HA   SER   3           HA       SER   3  -4.731 -16.579  -6.147
   13    HB2  SER   3           1HB      SER   3  -6.066 -18.046  -7.643
   14    HB3  SER   3           2HB      SER   3  -4.314 -18.262  -7.782
   15    HG   SER   3           HG       SER   3  -5.441 -20.270  -7.697
   16    H    GLY   4           H        GLY   4  -6.924 -16.002  -6.124
   17    HA2  GLY   4           1HA      GLY   4  -9.100 -17.256  -4.925
   18    HA3  GLY   4           2HA      GLY   4  -8.315 -16.364  -3.621
   19    H    SER   5           H        SER   5 -10.880 -15.718  -4.288
   20    HA   SER   5           HA       SER   5 -11.120 -13.602  -6.230
   21    HB2  SER   5           1HB      SER   5 -12.917 -14.302  -3.881
   22    HB3  SER   5           2HB      SER   5 -13.328 -13.227  -5.231
   23    HG   SER   5           HG       SER   5 -14.106 -15.374  -5.548
   24    H    SER   6           H        SER   6 -10.399 -11.585  -6.093
   25    HA   SER   6           HA       SER   6 -10.660  -9.956  -3.683
   26    HB2  SER   6           1HB      SER   6  -8.449 -11.236  -3.442
   27    HB3  SER   6           2HB      SER   6  -7.871 -10.318  -4.845
   28    HG   SER   6           HG       SER   6  -7.368  -9.347  -2.786
   29    H    GLY   7           H        GLY   7  -9.733  -7.710  -4.142
   30    HA2  GLY   7           1HA      GLY   7 -10.632  -6.659  -6.742
   31    HA3  GLY   7           2HA      GLY   7  -9.973  -5.742  -5.389
   32    H    ILE   8           H        ILE   8  -9.036  -4.804  -7.571
   33    HA   ILE   8           HA       ILE   8  -6.597  -6.125  -8.539
   34    HB   ILE   8           HB       ILE   8  -7.630  -3.315  -9.053
   35   HG12  ILE   8          1HG1      ILE   8  -9.268  -4.864  -9.921
   36   HG13  ILE   8          2HG1      ILE   8  -8.382  -4.135 -11.243
   37   HG21  ILE   8          1HG2      ILE   8  -5.249  -3.424  -9.497
   38   HG22  ILE   8          2HG2      ILE   8  -5.430  -4.933 -10.413
   39   HG23  ILE   8          3HG2      ILE   8  -6.105  -3.412 -11.038
   40   HD11  ILE   8          3HD1      ILE   8  -7.046  -6.229 -11.509
   41   HD12  ILE   8          1HD1      ILE   8  -7.969  -6.967 -10.177
   42   HD13  ILE   8          2HD1      ILE   8  -8.787  -6.503 -11.675
   43    H    LEU   9           H        LEU   9  -4.672  -5.982  -7.634
   44    HA   LEU   9           HA       LEU   9  -4.264  -4.533  -5.169
   45    HB2  LEU   9           1HB      LEU   9  -2.463  -6.235  -6.927
   46    HB3  LEU   9           2HB      LEU   9  -1.830  -5.361  -5.553
   47    HG   LEU   9           HG       LEU   9  -2.181  -7.661  -4.990
   48   HD11  LEU   9          1HD1      LEU   9  -4.240  -5.987  -3.512
   49   HD12  LEU   9          2HD1      LEU   9  -2.479  -5.929  -3.230
   50   HD13  LEU   9          3HD1      LEU   9  -3.383  -7.417  -2.915
   51   HD21  LEU   9          3HD2      LEU   9  -5.168  -7.274  -5.373
   52   HD22  LEU   9          1HD2      LEU   9  -4.330  -8.732  -4.822
   53   HD23  LEU   9          2HD2      LEU   9  -4.104  -8.170  -6.487
   54    H    LEU  10           H        LEU  10  -3.296  -2.735  -4.707
   55    HA   LEU  10           HA       LEU  10  -1.912  -1.076  -6.764
   56    HB2  LEU  10           1HB      LEU  10  -2.943  -0.254  -4.025
   57    HB3  LEU  10           2HB      LEU  10  -2.351   0.799  -5.309
   58    HG   LEU  10           HG       LEU  10  -4.942  -0.819  -5.393
   59   HD11  LEU  10          1HD1      LEU  10  -4.979   1.032  -3.784
   60   HD12  LEU  10          2HD1      LEU  10  -6.034   1.359  -5.167
   61   HD13  LEU  10          3HD1      LEU  10  -4.452   2.166  -5.049
   62   HD21  LEU  10          3HD2      LEU  10  -5.457   0.538  -7.399
   63   HD22  LEU  10          1HD2      LEU  10  -4.037  -0.481  -7.664
   64   HD23  LEU  10          2HD2      LEU  10  -3.830   1.256  -7.338
   65    H    LYS  11           H        LYS  11   0.194  -0.290  -6.210
   66    HA   LYS  11           HA       LYS  11   1.610  -1.903  -4.103
   67    HB2  LYS  11           1HB      LYS  11   2.568  -1.172  -6.895
   68    HB3  LYS  11           2HB      LYS  11   3.519  -2.002  -5.658
   69    HG2  LYS  11           1HG      LYS  11   1.864  -3.869  -5.647
   70    HG3  LYS  11           2HG      LYS  11   0.962  -3.065  -6.944
   71    HD2  LYS  11           1HD      LYS  11   2.960  -3.185  -8.412
   72    HD3  LYS  11           2HD      LYS  11   3.859  -4.005  -7.115
   73    HE2  LYS  11           1HE      LYS  11   2.188  -5.846  -7.128
   74    HE3  LYS  11           2HE      LYS  11   1.293  -5.030  -8.416
   75    HZ1  LYS  11           3HZ      LYS  11   3.256  -5.275  -9.844
   76    HZ2  LYS  11           1HZ      LYS  11   2.771  -6.738  -9.311
   77    HZ3  LYS  11           2HZ      LYS  11   4.083  -6.030  -8.653
   78    H    CYS  12           H        CYS  12   3.312  -1.059  -3.017
   79    HA   CYS  12           HA       CYS  12   3.385   1.759  -2.539
   80    HB2  CYS  12           1HB      CYS  12   3.850  -0.025  -0.912
   81    HB3  CYS  12           2HB      CYS  12   5.340  -0.432  -1.788
   82    HA   PRO  13           HA       PRO  13   6.249   2.699  -5.915
   83    HB2  PRO  13           1HB      PRO  13   6.415   5.389  -5.668
   84    HB3  PRO  13           2HB      PRO  13   4.877   4.587  -6.111
   85    HG2  PRO  13           1HG      PRO  13   5.767   5.499  -3.348
   86    HG3  PRO  13           2HG      PRO  13   4.218   5.858  -4.181
   87    HD2  PRO  13           1HD      PRO  13   4.504   3.791  -2.397
   88    HD3  PRO  13           2HD      PRO  13   3.406   3.687  -3.807
   89    H    THR  14           H        THR  14   7.061   2.785  -2.610
   90    HA   THR  14           HA       THR  14   9.489   4.359  -2.778
   91    HB   THR  14           HB       THR  14   8.652   2.530  -0.507
   92    HG1  THR  14           1HG      THR  14   6.989   3.892  -0.766
   93   HG21  THR  14          3HG2      THR  14  10.927   3.364  -0.226
   94   HG22  THR  14          1HG2      THR  14   9.858   4.258   0.855
   95   HG23  THR  14          2HG2      THR  14  10.415   5.018  -0.647
   96    H    ASP  15           H        ASP  15  11.621   3.757  -2.864
   97    HA   ASP  15           HA       ASP  15  12.344   1.263  -4.051
   98    HB2  ASP  15           1HB      ASP  15  14.034   3.380  -2.667
   99    HB3  ASP  15           2HB      ASP  15  14.686   2.007  -3.557
  100    H    GLY  16           H        GLY  16  13.117  -0.625  -3.268
  101    HA2  GLY  16           1HA      GLY  16  13.798  -2.269  -1.803
  102    HA3  GLY  16           2HA      GLY  16  14.016  -1.057  -0.543
  103    H    CYS  17           H        CYS  17  10.892  -0.559  -1.445
  104    HA   CYS  17           HA       CYS  17   9.746  -2.218   0.701
  105    HB2  CYS  17           1HB      CYS  17   9.346   0.254   0.334
  106    HB3  CYS  17           2HB      CYS  17   8.365  -0.198  -1.070
  107    H    ASP  18           H        ASP  18   7.853  -3.442   0.366
  108    HA   ASP  18           HA       ASP  18   7.525  -4.762  -2.296
  109    HB2  ASP  18           1HB      ASP  18   9.213  -5.955  -0.841
  110    HB3  ASP  18           2HB      ASP  18   7.927  -6.242   0.330
  111    H    TYR  19           H        TYR  19   5.941  -3.034  -0.114
  112    HA   TYR  19           HA       TYR  19   3.700  -4.677   0.635
  113    HB2  TYR  19           1HB      TYR  19   4.450  -2.842   1.996
  114    HB3  TYR  19           2HB      TYR  19   4.225  -1.701   0.687
  115    HD1  TYR  19           2HD      TYR  19   2.530  -3.778   3.243
  116    HD2  TYR  19           1HD      TYR  19   1.967  -0.849   0.119
  117    HE1  TYR  19           2HE      TYR  19   0.225  -3.332   4.070
  118    HE2  TYR  19           1HE      TYR  19  -0.319  -0.397   0.964
  119    HH   TYR  19           HH       TYR  19  -1.685  -2.103   3.805
  120    H    SER  20           H        SER  20   1.679  -4.860  -0.131
  121    HA   SER  20           HA       SER  20   0.654  -3.084  -2.198
  122    HB2  SER  20           1HB      SER  20  -0.113  -4.856  -3.701
  123    HB3  SER  20           2HB      SER  20   1.653  -4.836  -3.583
  124    HG   SER  20           HG       SER  20   1.555  -6.613  -2.195
  125    H    THR  21           H        THR  21  -1.625  -3.132  -2.443
  126    HA   THR  21           HA       THR  21  -3.303  -4.689  -0.604
  127    HB   THR  21           HB       THR  21  -2.520  -3.018   0.933
  128    HG1  THR  21           1HG      THR  21  -4.426  -2.321   1.591
  129   HG21  THR  21          3HG2      THR  21  -2.872  -0.623   0.643
  130   HG22  THR  21          1HG2      THR  21  -3.532  -0.875  -0.985
  131   HG23  THR  21          2HG2      THR  21  -1.826  -1.218  -0.653
  132    HA   PRO  22           HA       PRO  22  -6.121  -3.552  -3.916
  133    HB2  PRO  22           1HB      PRO  22  -8.520  -4.430  -2.990
  134    HB3  PRO  22           2HB      PRO  22  -7.193  -5.548  -3.432
  135    HG2  PRO  22           1HG      PRO  22  -7.902  -4.507  -0.665
  136    HG3  PRO  22           2HG      PRO  22  -7.641  -6.210  -1.169
  137    HD2  PRO  22           1HD      PRO  22  -5.671  -4.719  -0.023
  138    HD3  PRO  22           2HD      PRO  22  -5.304  -5.906  -1.300
  139    H    ASP  23           H        ASP  23  -6.047  -1.917  -0.915
  140    HA   ASP  23           HA       ASP  23  -8.284  -0.076  -1.661
  141    HB2  ASP  23           1HB      ASP  23  -8.335  -1.400   0.562
  142    HB3  ASP  23           2HB      ASP  23  -6.999  -0.404   1.027
  143    H    LYS  24           H        LYS  24  -7.878   1.975  -2.208
  144    HA   LYS  24           HA       LYS  24  -5.232   3.041  -2.435
  145    HB2  LYS  24           1HB      LYS  24  -6.310   5.076  -3.194
  146    HB3  LYS  24           2HB      LYS  24  -7.057   3.662  -3.937
  147    HG2  LYS  24           1HG      LYS  24  -8.935   3.807  -2.278
  148    HG3  LYS  24           2HG      LYS  24  -8.203   5.265  -1.601
  149    HD2  LYS  24           1HD      LYS  24  -9.115   4.996  -4.494
  150    HD3  LYS  24           2HD      LYS  24 -10.100   5.660  -3.181
  151    HE2  LYS  24           1HE      LYS  24  -8.335   7.383  -2.750
  152    HE3  LYS  24           2HE      LYS  24  -7.430   6.777  -4.144
  153    HZ1  LYS  24           3HZ      LYS  24  -9.347   7.352  -5.545
  154    HZ2  LYS  24           1HZ      LYS  24  -8.821   8.675  -4.748
  155    HZ3  LYS  24           2HZ      LYS  24 -10.175   7.912  -4.251
  156    H    TYR  25           H        TYR  25  -7.549   3.350   0.223
  157    HA   TYR  25           HA       TYR  25  -6.044   5.569   1.446
  158    HB2  TYR  25           1HB      TYR  25  -8.407   4.018   2.542
  159    HB3  TYR  25           2HB      TYR  25  -7.739   5.517   3.165
  160    HD1  TYR  25           1HD      TYR  25  -7.704   7.584   1.568
  161    HD2  TYR  25           2HD      TYR  25 -10.135   4.079   0.906
  162    HE1  TYR  25           1HE      TYR  25  -9.148   8.883   0.013
  163    HE2  TYR  25           2HE      TYR  25 -11.586   5.386  -0.649
  164    HH   TYR  25           HH       TYR  25 -10.980   8.849  -1.363
  165    H    LYS  26           H        LYS  26  -6.429   2.033   1.891
  166    HA   LYS  26           HA       LYS  26  -4.677   1.845   4.200
  167    HB2  LYS  26           1HB      LYS  26  -5.099  -0.185   1.977
  168    HB3  LYS  26           2HB      LYS  26  -4.316  -0.495   3.514
  169    HG2  LYS  26           1HG      LYS  26  -6.420   0.085   4.722
  170    HG3  LYS  26           2HG      LYS  26  -7.243   0.285   3.186
  171    HD2  LYS  26           1HD      LYS  26  -6.647  -2.106   2.617
  172    HD3  LYS  26           2HD      LYS  26  -5.956  -2.286   4.229
  173    HE2  LYS  26           1HE      LYS  26  -8.857  -1.530   3.631
  174    HE3  LYS  26           2HE      LYS  26  -8.299  -3.171   3.962
  175    HZ1  LYS  26           3HZ      LYS  26  -8.122  -0.903   5.875
  176    HZ2  LYS  26           1HZ      LYS  26  -7.569  -2.416   6.165
  177    HZ3  LYS  26           2HZ      LYS  26  -9.165  -2.152   5.968
  178    H    LEU  27           H        LEU  27  -3.985   1.916   0.680
  179    HA   LEU  27           HA       LEU  27  -1.158   1.671   0.961
  180    HB2  LEU  27           1HB      LEU  27  -2.390   1.368  -1.171
  181    HB3  LEU  27           2HB      LEU  27  -2.753   3.092  -1.192
  182    HG   LEU  27           HG       LEU  27  -0.364   3.640  -1.417
  183   HD11  LEU  27          1HD1      LEU  27   0.077   0.619  -1.415
  184   HD12  LEU  27          2HD1      LEU  27   0.715   1.788  -0.227
  185   HD13  LEU  27          3HD1      LEU  27   1.281   1.834  -1.892
  186   HD21  LEU  27          3HD2      LEU  27  -1.740   3.183  -3.441
  187   HD22  LEU  27          1HD2      LEU  27  -1.207   1.486  -3.387
  188   HD23  LEU  27          2HD2      LEU  27  -0.029   2.782  -3.675
  189    H    GLN  28           H        GLN  28  -3.165   4.695   0.780
  190    HA   GLN  28           HA       GLN  28  -1.028   6.540   1.159
  191    HB2  GLN  28           1HB      GLN  28  -3.954   6.596   1.994
  192    HB3  GLN  28           2HB      GLN  28  -2.887   7.967   2.248
  193    HG2  GLN  28           1HG      GLN  28  -3.336   6.718  -0.498
  194    HG3  GLN  28           2HG      GLN  28  -4.326   8.009   0.166
  195   HE21  GLN  28          1HE2      GLN  28  -3.145   8.580  -2.202
  196   HE22  GLN  28          2HE2      GLN  28  -1.776   9.656  -1.959
  197    H    ALA  29           H        ALA  29  -2.997   4.858   3.647
  198    HA   ALA  29           HA       ALA  29  -1.610   5.884   5.913
  199    HB1  ALA  29           1HB      ALA  29  -2.641   4.002   7.105
  200    HB2  ALA  29           2HB      ALA  29  -3.804   4.758   5.998
  201    HB3  ALA  29           3HB      ALA  29  -3.036   3.214   5.564
  202    H    HIS  30           H        HIS  30  -0.648   3.278   3.684
  203    HA   HIS  30           HA       HIS  30   1.635   2.462   5.352
  204    HB2  HIS  30           1HB      HIS  30   0.603   0.808   3.942
  205    HB3  HIS  30           2HB      HIS  30   0.810   1.802   2.504
  206    HD1  HIS  30           1HD      HIS  30   2.952  -0.264   4.954
  207    HD2  HIS  30           2HD      HIS  30   3.169   1.841   1.325
  208    HE1  HIS  30           1HE      HIS  30   5.264  -0.738   4.023
  209    H    LEU  31           H        LEU  31   1.189   4.737   2.562
  210    HA   LEU  31           HA       LEU  31   3.959   5.252   2.144
  211    HB2  LEU  31           1HB      LEU  31   1.699   7.267   1.956
  212    HB3  LEU  31           2HB      LEU  31   3.299   7.436   1.260
  213    HG   LEU  31           HG       LEU  31   1.116   5.526   0.389
  214   HD11  LEU  31          1HD1      LEU  31   0.941   7.861  -0.369
  215   HD12  LEU  31          2HD1      LEU  31   1.250   6.744  -1.709
  216   HD13  LEU  31          3HD1      LEU  31   2.569   7.751  -1.072
  217   HD21  LEU  31          3HD2      LEU  31   3.223   4.290   0.183
  218   HD22  LEU  31          1HD2      LEU  31   3.972   5.676  -0.647
  219   HD23  LEU  31          2HD2      LEU  31   2.630   4.780  -1.401
  220    H    LYS  32           H        LYS  32   1.815   6.526   4.651
  221    HA   LYS  32           HA       LYS  32   3.555   8.430   5.860
  222    HB2  LYS  32           1HB      LYS  32   1.419   6.649   7.091
  223    HB3  LYS  32           2HB      LYS  32   2.210   7.987   7.928
  224    HG2  LYS  32           1HG      LYS  32   1.384   9.587   6.255
  225    HG3  LYS  32           2HG      LYS  32   0.586   8.280   5.363
  226    HD2  LYS  32           1HD      LYS  32  -0.784   7.756   7.381
  227    HD3  LYS  32           2HD      LYS  32  -0.057   9.124   8.228
  228    HE2  LYS  32           1HE      LYS  32  -1.640   9.311   5.618
  229    HE3  LYS  32           2HE      LYS  32  -2.331   9.562   7.223
  230    HZ1  LYS  32           3HZ      LYS  32  -0.177  11.225   6.030
  231    HZ2  LYS  32           1HZ      LYS  32  -0.793  11.430   7.531
  232    HZ3  LYS  32           2HZ      LYS  32  -1.732  11.672   6.222
  233    H    VAL  33           H        VAL  33   3.840   4.944   5.908
  234    HA   VAL  33           HA       VAL  33   5.559   4.813   8.243
  235    HB   VAL  33           HB       VAL  33   4.143   2.956   6.849
  236   HG11  VAL  33          1HG1      VAL  33   5.561   1.334   5.795
  237   HG12  VAL  33          2HG1      VAL  33   5.816   2.868   4.953
  238   HG13  VAL  33          3HG1      VAL  33   7.023   2.279   6.112
  239   HG21  VAL  33          3HG2      VAL  33   5.227   1.275   8.205
  240   HG22  VAL  33          1HG2      VAL  33   6.568   2.396   8.564
  241   HG23  VAL  33          2HG2      VAL  33   4.915   2.751   9.132
  242    H    HIS  34           H        HIS  34   6.060   5.733   4.968
  243    HA   HIS  34           HA       HIS  34   9.025   5.525   5.166
  244    HB2  HIS  34           1HB      HIS  34   7.231   6.209   2.809
  245    HB3  HIS  34           2HB      HIS  34   8.979   6.017   2.765
  246    HD1  HIS  34           1HD      HIS  34   9.731   3.355   3.736
  247    HD2  HIS  34           2HD      HIS  34   5.977   4.103   1.993
  248    HE1  HIS  34           1HE      HIS  34   8.902   1.105   2.905
  249    H    THR  35           H        THR  35   6.414   7.976   4.756
  250    HA   THR  35           HA       THR  35   8.352  10.161   4.570
  251    HB   THR  35           HB       THR  35   6.398  11.628   4.467
  252    HG1  THR  35           1HG      THR  35   4.354  10.717   4.480
  253   HG21  THR  35          3HG2      THR  35   7.205  10.499   2.396
  254   HG22  THR  35          1HG2      THR  35   5.466  10.834   2.365
  255   HG23  THR  35          2HG2      THR  35   6.043   9.183   2.676
  256    H    ALA  36           H        ALA  36   6.792   8.607   7.243
  257    HA   ALA  36           HA       ALA  36   7.995  10.597   9.088
  258    HB1  ALA  36           1HB      ALA  36   5.152   9.512   9.304
  259    HB2  ALA  36           2HB      ALA  36   5.962  10.573  10.476
  260    HB3  ALA  36           3HB      ALA  36   5.597  11.171   8.848
  261    H    LEU  37           H        LEU  37   8.183   9.768  11.318
  262    HA   LEU  37           HA       LEU  37   8.116   6.886  11.760
  263    HB2  LEU  37           1HB      LEU  37  10.310   7.262  10.627
  264    HB3  LEU  37           2HB      LEU  37  10.725   8.462  11.846
  265    HG   LEU  37           HG       LEU  37  10.694   6.687  13.600
  266   HD11  LEU  37          1HD1      LEU  37  10.694   4.302  12.887
  267   HD12  LEU  37          2HD1      LEU  37  10.240   4.798  11.242
  268   HD13  LEU  37          3HD1      LEU  37   9.128   5.060  12.603
  269   HD21  LEU  37          3HD2      LEU  37  12.449   6.049  11.194
  270   HD22  LEU  37          1HD2      LEU  37  12.754   5.565  12.878
  271   HD23  LEU  37          2HD2      LEU  37  12.783   7.279  12.434
  272    H    ASP  38           H        ASP  38   7.821   6.420  13.868
  273    HA   ASP  38           HA       ASP  38   8.293   8.384  16.033
  274    HB2  ASP  38           1HB      ASP  38   5.999   8.832  15.262
  275    HB3  ASP  38           2HB      ASP  38   5.581   7.133  15.449
  Start of MODEL    2
    1    H1   GLY   1           1H       GLY   1 -11.336 -18.698 -25.145
    2    H2   GLY   1           2H       GLY   1 -12.190 -17.580 -24.305
    3    H3   GLY   1           3H       GLY   1 -12.426 -19.175 -24.018
    4    HA2  GLY   1           1HA      GLY   1 -10.199 -19.423 -23.152
    5    HA3  GLY   1           2HA      GLY   1  -9.927 -17.701 -23.478
    6    H    SER   2           H        SER   2  -9.733 -19.084 -20.923
    7    HA   SER   2           HA       SER   2 -12.085 -18.546 -19.333
    8    HB2  SER   2           1HB      SER   2  -9.259 -19.208 -18.444
    9    HB3  SER   2           2HB      SER   2 -10.736 -19.348 -17.474
   10    HG   SER   2           HG       SER   2 -10.110 -21.360 -18.396
   11    H    SER   3           H        SER   3  -9.535 -16.443 -20.275
   12    HA   SER   3           HA       SER   3  -9.227 -14.849 -17.942
   13    HB2  SER   3           1HB      SER   3  -8.844 -14.046 -20.848
   14    HB3  SER   3           2HB      SER   3  -8.168 -13.228 -19.427
   15    HG   SER   3           HG       SER   3  -6.657 -14.666 -20.389
   16    H    GLY   4           H        GLY   4  -9.928 -12.750 -17.432
   17    HA2  GLY   4           1HA      GLY   4 -11.917 -11.260 -18.870
   18    HA3  GLY   4           2HA      GLY   4 -12.663 -12.157 -17.544
   19    H    SER   5           H        SER   5 -12.981  -9.571 -17.289
   20    HA   SER   5           HA       SER   5 -10.798  -8.182 -15.962
   21    HB2  SER   5           1HB      SER   5 -12.492  -6.401 -15.607
   22    HB3  SER   5           2HB      SER   5 -12.275  -6.886 -17.296
   23    HG   SER   5           HG       SER   5 -14.495  -6.682 -16.725
   24    H    SER   6           H        SER   6 -10.616  -7.543 -13.848
   25    HA   SER   6           HA       SER   6 -12.419  -8.432 -11.725
   26    HB2  SER   6           1HB      SER   6 -10.704  -9.802 -10.578
   27    HB3  SER   6           2HB      SER   6 -11.190 -10.506 -12.123
   28    HG   SER   6           HG       SER   6  -8.911 -10.529 -11.834
   29    H    GLY   7           H        GLY   7 -11.515  -7.818  -9.532
   30    HA2  GLY   7           1HA      GLY   7 -10.397  -5.143  -9.470
   31    HA3  GLY   7           2HA      GLY   7 -10.678  -6.199  -8.086
   32    H    ILE   8           H        ILE   8  -8.367  -4.475  -8.670
   33    HA   ILE   8           HA       ILE   8  -6.149  -6.464  -8.879
   34    HB   ILE   8           HB       ILE   8  -4.803  -4.789 -10.003
   35   HG12  ILE   8          1HG1      ILE   8  -7.335  -3.102 -10.258
   36   HG13  ILE   8          2HG1      ILE   8  -5.986  -2.743  -9.174
   37   HG21  ILE   8          1HG2      ILE   8  -5.761  -5.099 -12.197
   38   HG22  ILE   8          2HG2      ILE   8  -6.127  -6.528 -11.232
   39   HG23  ILE   8          3HG2      ILE   8  -7.389  -5.314 -11.524
   40   HD11  ILE   8          3HD1      ILE   8  -4.459  -2.608 -11.144
   41   HD12  ILE   8          1HD1      ILE   8  -5.874  -2.800 -12.210
   42   HD13  ILE   8          2HD1      ILE   8  -5.753  -1.391 -11.143
   43    H    LEU   9           H        LEU   9  -4.211  -6.017  -7.849
   44    HA   LEU   9           HA       LEU   9  -4.418  -4.598  -5.276
   45    HB2  LEU   9           1HB      LEU   9  -2.334  -6.366  -6.611
   46    HB3  LEU   9           2HB      LEU   9  -1.951  -5.437  -5.181
   47    HG   LEU   9           HG       LEU   9  -2.447  -7.778  -4.701
   48   HD11  LEU   9          1HD1      LEU   9  -4.502  -5.921  -3.462
   49   HD12  LEU   9          2HD1      LEU   9  -2.787  -6.031  -2.982
   50   HD13  LEU   9          3HD1      LEU   9  -3.862  -7.418  -2.765
   51   HD21  LEU   9          3HD2      LEU   9  -5.353  -7.198  -5.371
   52   HD22  LEU   9          1HD2      LEU   9  -4.673  -8.697  -4.718
   53   HD23  LEU   9          2HD2      LEU   9  -4.251  -8.190  -6.362
   54    H    LEU  10           H        LEU  10  -3.433  -2.767  -4.727
   55    HA   LEU  10           HA       LEU  10  -1.922  -1.157  -6.726
   56    HB2  LEU  10           1HB      LEU  10  -2.870  -0.366  -3.950
   57    HB3  LEU  10           2HB      LEU  10  -2.271   0.692  -5.227
   58    HG   LEU  10           HG       LEU  10  -4.921  -0.828  -5.282
   59   HD11  LEU  10          1HD1      LEU  10  -4.312   2.129  -4.896
   60   HD12  LEU  10          2HD1      LEU  10  -4.849   0.995  -3.636
   61   HD13  LEU  10          3HD1      LEU  10  -5.926   1.382  -4.988
   62   HD21  LEU  10          3HD2      LEU  10  -4.054  -0.481  -7.566
   63   HD22  LEU  10          1HD2      LEU  10  -3.775   1.240  -7.213
   64   HD23  LEU  10          2HD2      LEU  10  -5.428   0.584  -7.250
   65    H    LYS  11           H        LYS  11   0.206  -0.363  -6.106
   66    HA   LYS  11           HA       LYS  11   1.553  -1.889  -3.910
   67    HB2  LYS  11           1HB      LYS  11   2.524  -1.524  -6.768
   68    HB3  LYS  11           2HB      LYS  11   3.555  -2.030  -5.425
   69    HG2  LYS  11           1HG      LYS  11   2.021  -3.971  -5.012
   70    HG3  LYS  11           2HG      LYS  11   1.089  -3.506  -6.435
   71    HD2  LYS  11           1HD      LYS  11   2.574  -5.288  -7.071
   72    HD3  LYS  11           2HD      LYS  11   3.103  -3.805  -7.853
   73    HE2  LYS  11           1HE      LYS  11   5.050  -4.983  -7.116
   74    HE3  LYS  11           2HE      LYS  11   4.897  -3.542  -6.116
   75    HZ1  LYS  11           3HZ      LYS  11   4.043  -4.933  -4.323
   76    HZ2  LYS  11           1HZ      LYS  11   5.442  -5.585  -4.853
   77    HZ3  LYS  11           2HZ      LYS  11   4.028  -6.265  -5.286
   78    H    CYS  12           H        CYS  12   3.287  -1.048  -2.934
   79    HA   CYS  12           HA       CYS  12   3.433   1.796  -2.601
   80    HB2  CYS  12           1HB      CYS  12   3.740   0.074  -0.871
   81    HB3  CYS  12           2HB      CYS  12   5.242  -0.449  -1.665
   82    HA   PRO  13           HA       PRO  13   6.459   2.393  -5.904
   83    HB2  PRO  13           1HB      PRO  13   6.689   5.080  -5.876
   84    HB3  PRO  13           2HB      PRO  13   5.127   4.289  -6.255
   85    HG2  PRO  13           1HG      PRO  13   6.041   5.409  -3.579
   86    HG3  PRO  13           2HG      PRO  13   4.500   5.727  -4.439
   87    HD2  PRO  13           1HD      PRO  13   4.772   3.803  -2.482
   88    HD3  PRO  13           2HD      PRO  13   3.631   3.635  -3.852
   89    H    THR  14           H        THR  14   7.212   3.011  -2.566
   90    HA   THR  14           HA       THR  14   9.705   4.365  -2.897
   91    HB   THR  14           HB       THR  14   8.711   2.788  -0.499
   92    HG1  THR  14           1HG      THR  14   7.933   4.823   0.130
   93   HG21  THR  14          3HG2      THR  14  11.064   3.401  -0.195
   94   HG22  THR  14          1HG2      THR  14  10.061   4.464   0.790
   95   HG23  THR  14          2HG2      THR  14  10.736   5.063  -0.740
   96    H    ASP  15           H        ASP  15  11.849   3.695  -2.812
   97    HA   ASP  15           HA       ASP  15  12.443   1.104  -3.871
   98    HB2  ASP  15           1HB      ASP  15  14.738   1.743  -3.782
   99    HB3  ASP  15           2HB      ASP  15  13.780   3.095  -4.366
  100    H    GLY  16           H        GLY  16  13.380  -0.707  -3.005
  101    HA2  GLY  16           1HA      GLY  16  13.943  -2.294  -1.425
  102    HA3  GLY  16           2HA      GLY  16  14.014  -1.042  -0.186
  103    H    CYS  17           H        CYS  17  11.009  -0.584  -1.405
  104    HA   CYS  17           HA       CYS  17   9.654  -2.370   0.540
  105    HB2  CYS  17           1HB      CYS  17   9.468   0.184   0.529
  106    HB3  CYS  17           2HB      CYS  17   8.502  -0.008  -0.948
  107    H    ASP  18           H        ASP  18   7.791  -3.489  -0.065
  108    HA   ASP  18           HA       ASP  18   7.176  -3.910  -2.928
  109    HB2  ASP  18           1HB      ASP  18   8.999  -5.528  -2.273
  110    HB3  ASP  18           2HB      ASP  18   7.883  -6.240  -1.107
  111    H    TYR  19           H        TYR  19   5.900  -2.970  -0.221
  112    HA   TYR  19           HA       TYR  19   3.782  -4.682   0.511
  113    HB2  TYR  19           1HB      TYR  19   4.466  -2.850   1.890
  114    HB3  TYR  19           2HB      TYR  19   4.167  -1.683   0.619
  115    HD1  TYR  19           2HD      TYR  19   2.608  -3.805   3.213
  116    HD2  TYR  19           1HD      TYR  19   1.879  -0.903   0.102
  117    HE1  TYR  19           2HE      TYR  19   0.321  -3.413   4.109
  118    HE2  TYR  19           1HE      TYR  19  -0.392  -0.495   1.021
  119    HH   TYR  19           HH       TYR  19  -1.626  -2.231   3.901
  120    H    SER  20           H        SER  20   1.651  -4.859  -0.028
  121    HA   SER  20           HA       SER  20   0.544  -3.305  -2.248
  122    HB2  SER  20           1HB      SER  20  -0.214  -5.212  -3.522
  123    HB3  SER  20           2HB      SER  20   1.545  -5.277  -3.353
  124    HG   SER  20           HG       SER  20   1.322  -6.852  -1.763
  125    H    THR  21           H        THR  21  -1.698  -3.266  -2.414
  126    HA   THR  21           HA       THR  21  -3.424  -4.689  -0.534
  127    HB   THR  21           HB       THR  21  -2.570  -2.998   0.968
  128    HG1  THR  21           1HG      THR  21  -4.470  -2.135   1.582
  129   HG21  THR  21          3HG2      THR  21  -3.603  -0.873  -0.960
  130   HG22  THR  21          1HG2      THR  21  -1.891  -1.239  -0.680
  131   HG23  THR  21          2HG2      THR  21  -2.884  -0.611   0.641
  132    HA   PRO  22           HA       PRO  22  -6.204  -3.539  -3.865
  133    HB2  PRO  22           1HB      PRO  22  -8.627  -4.316  -2.918
  134    HB3  PRO  22           2HB      PRO  22  -7.335  -5.488  -3.321
  135    HG2  PRO  22           1HG      PRO  22  -8.020  -4.340  -0.589
  136    HG3  PRO  22           2HG      PRO  22  -7.811  -6.065  -1.040
  137    HD2  PRO  22           1HD      PRO  22  -5.797  -4.611   0.066
  138    HD3  PRO  22           2HD      PRO  22  -5.467  -5.840  -1.180
  139    H    ASP  23           H        ASP  23  -6.189  -1.880  -0.839
  140    HA   ASP  23           HA       ASP  23  -8.335   0.015  -1.708
  141    HB2  ASP  23           1HB      ASP  23  -8.449  -1.326   0.552
  142    HB3  ASP  23           2HB      ASP  23  -7.226  -0.203   1.061
  143    H    LYS  24           H        LYS  24  -7.870   2.079  -2.202
  144    HA   LYS  24           HA       LYS  24  -5.171   3.053  -2.298
  145    HB2  LYS  24           1HB      LYS  24  -6.106   5.102  -3.138
  146    HB3  LYS  24           2HB      LYS  24  -6.908   3.724  -3.889
  147    HG2  LYS  24           1HG      LYS  24  -8.849   4.038  -2.305
  148    HG3  LYS  24           2HG      LYS  24  -8.036   5.475  -1.649
  149    HD2  LYS  24           1HD      LYS  24  -8.063   6.518  -3.899
  150    HD3  LYS  24           2HD      LYS  24  -8.895   5.083  -4.549
  151    HE2  LYS  24           1HE      LYS  24 -10.770   5.471  -2.957
  152    HE3  LYS  24           2HE      LYS  24  -9.938   6.901  -2.334
  153    HZ1  LYS  24           3HZ      LYS  24 -10.116   7.891  -4.556
  154    HZ2  LYS  24           1HZ      LYS  24 -11.596   7.512  -3.986
  155    HZ3  LYS  24           2HZ      LYS  24 -10.899   6.574  -5.126
  156    H    TYR  25           H        TYR  25  -7.637   3.428   0.226
  157    HA   TYR  25           HA       TYR  25  -6.144   5.565   1.579
  158    HB2  TYR  25           1HB      TYR  25  -8.486   3.892   2.545
  159    HB3  TYR  25           2HB      TYR  25  -7.826   5.312   3.335
  160    HD1  TYR  25           1HD      TYR  25  -7.833   7.558   2.053
  161    HD2  TYR  25           2HD      TYR  25 -10.180   4.136   0.868
  162    HE1  TYR  25           1HE      TYR  25  -9.337   9.045   0.741
  163    HE2  TYR  25           2HE      TYR  25 -11.698   5.630  -0.427
  164    HH   TYR  25           HH       TYR  25 -11.195   9.176  -0.599
  165    H    LYS  26           H        LYS  26  -6.397   2.022   1.817
  166    HA   LYS  26           HA       LYS  26  -4.734   1.712   4.177
  167    HB2  LYS  26           1HB      LYS  26  -5.192  -0.172   1.861
  168    HB3  LYS  26           2HB      LYS  26  -4.307  -0.554   3.339
  169    HG2  LYS  26           1HG      LYS  26  -6.346  -0.021   4.699
  170    HG3  LYS  26           2HG      LYS  26  -7.239   0.297   3.229
  171    HD2  LYS  26           1HD      LYS  26  -7.789  -1.890   3.937
  172    HD3  LYS  26           2HD      LYS  26  -6.764  -2.064   2.501
  173    HE2  LYS  26           1HE      LYS  26  -4.804  -2.523   3.994
  174    HE3  LYS  26           2HE      LYS  26  -5.857  -2.360   5.403
  175    HZ1  LYS  26           3HZ      LYS  26  -7.136  -4.268   4.577
  176    HZ2  LYS  26           1HZ      LYS  26  -5.572  -4.687   4.774
  177    HZ3  LYS  26           2HZ      LYS  26  -6.157  -4.416   3.275
  178    H    LEU  27           H        LEU  27  -3.991   1.919   0.668
  179    HA   LEU  27           HA       LEU  27  -1.166   1.688   0.984
  180    HB2  LEU  27           1HB      LEU  27  -2.387   1.395  -1.166
  181    HB3  LEU  27           2HB      LEU  27  -2.727   3.125  -1.182
  182    HG   LEU  27           HG       LEU  27  -0.326   3.641  -1.368
  183   HD11  LEU  27          1HD1      LEU  27   0.074   0.613  -1.382
  184   HD12  LEU  27          2HD1      LEU  27   0.711   1.764  -0.179
  185   HD13  LEU  27          3HD1      LEU  27   1.303   1.813  -1.834
  186   HD21  LEU  27          3HD2      LEU  27  -1.176   1.517  -3.367
  187   HD22  LEU  27          1HD2      LEU  27   0.030   2.793  -3.628
  188   HD23  LEU  27          2HD2      LEU  27  -1.677   3.224  -3.413
  189    H    GLN  28           H        GLN  28  -3.217   4.681   0.853
  190    HA   GLN  28           HA       GLN  28  -1.113   6.552   1.262
  191    HB2  GLN  28           1HB      GLN  28  -4.027   6.539   2.128
  192    HB3  GLN  28           2HB      GLN  28  -2.978   7.918   2.415
  193    HG2  GLN  28           1HG      GLN  28  -3.443   6.748  -0.363
  194    HG3  GLN  28           2HG      GLN  28  -4.436   8.009   0.354
  195   HE21  GLN  28          1HE2      GLN  28  -3.340   8.716  -1.989
  196   HE22  GLN  28          2HE2      GLN  28  -1.958   9.773  -1.742
  197    H    ALA  29           H        ALA  29  -3.030   4.786   3.735
  198    HA   ALA  29           HA       ALA  29  -1.629   5.773   6.005
  199    HB1  ALA  29           1HB      ALA  29  -3.794   4.595   6.092
  200    HB2  ALA  29           2HB      ALA  29  -2.999   3.079   5.610
  201    HB3  ALA  29           3HB      ALA  29  -2.599   3.838   7.162
  202    H    HIS  30           H        HIS  30  -0.653   3.215   3.715
  203    HA   HIS  30           HA       HIS  30   1.668   2.423   5.343
  204    HB2  HIS  30           1HB      HIS  30   0.618   0.766   3.935
  205    HB3  HIS  30           2HB      HIS  30   0.833   1.766   2.499
  206    HD1  HIS  30           1HD      HIS  30   2.986  -0.251   4.997
  207    HD2  HIS  30           2HD      HIS  30   3.189   1.774   1.323
  208    HE1  HIS  30           1HE      HIS  30   5.313  -0.699   4.096
  209    H    LEU  31           H        LEU  31   1.162   4.650   2.530
  210    HA   LEU  31           HA       LEU  31   3.918   5.230   2.085
  211    HB2  LEU  31           1HB      LEU  31   1.473   7.005   1.801
  212    HB3  LEU  31           2HB      LEU  31   3.069   7.436   1.207
  213    HG   LEU  31           HG       LEU  31   1.457   5.042   0.229
  214   HD11  LEU  31          1HD1      LEU  31   0.468   7.218  -0.409
  215   HD12  LEU  31          2HD1      LEU  31   1.129   6.354  -1.804
  216   HD13  LEU  31          3HD1      LEU  31   2.026   7.718  -1.096
  217   HD21  LEU  31          3HD2      LEU  31   3.837   4.608  -0.063
  218   HD22  LEU  31          1HD2      LEU  31   4.070   6.225  -0.776
  219   HD23  LEU  31          2HD2      LEU  31   3.090   5.000  -1.611
  220    H    LYS  32           H        LYS  32   1.723   6.514   4.553
  221    HA   LYS  32           HA       LYS  32   3.468   8.478   5.682
  222    HB2  LYS  32           1HB      LYS  32   1.212   6.834   6.888
  223    HB3  LYS  32           2HB      LYS  32   2.046   8.135   7.749
  224    HG2  LYS  32           1HG      LYS  32   1.402   9.764   6.032
  225    HG3  LYS  32           2HG      LYS  32   0.588   8.503   5.096
  226    HD2  LYS  32           1HD      LYS  32  -0.973   8.103   6.988
  227    HD3  LYS  32           2HD      LYS  32  -0.163   9.387   7.915
  228    HE2  LYS  32           1HE      LYS  32  -0.725  11.016   6.109
  229    HE3  LYS  32           2HE      LYS  32  -1.557   9.736   5.218
  230    HZ1  LYS  32           3HZ      LYS  32  -3.115  11.063   6.528
  231    HZ2  LYS  32           1HZ      LYS  32  -2.333  10.718   7.917
  232    HZ3  LYS  32           2HZ      LYS  32  -3.107   9.533   7.098
  233    H    VAL  33           H        VAL  33   3.812   5.032   5.807
  234    HA   VAL  33           HA       VAL  33   5.477   4.986   8.197
  235    HB   VAL  33           HB       VAL  33   4.163   3.049   6.819
  236   HG11  VAL  33          1HG1      VAL  33   5.669   1.472   5.809
  237   HG12  VAL  33          2HG1      VAL  33   5.858   3.000   4.943
  238   HG13  VAL  33          3HG1      VAL  33   7.080   2.494   6.124
  239   HG21  VAL  33          3HG2      VAL  33   4.916   2.906   9.115
  240   HG22  VAL  33          1HG2      VAL  33   5.307   1.435   8.211
  241   HG23  VAL  33          2HG2      VAL  33   6.590   2.618   8.573
  242    H    HIS  34           H        HIS  34   6.005   5.773   4.847
  243    HA   HIS  34           HA       HIS  34   8.951   5.580   5.063
  244    HB2  HIS  34           1HB      HIS  34   7.119   6.264   2.733
  245    HB3  HIS  34           2HB      HIS  34   8.871   6.121   2.649
  246    HD1  HIS  34           1HD      HIS  34   9.723   3.506   3.657
  247    HD2  HIS  34           2HD      HIS  34   5.918   4.086   1.957
  248    HE1  HIS  34           1HE      HIS  34   8.945   1.208   2.927
  249    H    THR  35           H        THR  35   6.443   8.107   5.043
  250    HA   THR  35           HA       THR  35   8.365  10.275   4.635
  251    HB   THR  35           HB       THR  35   6.487  11.769   5.158
  252    HG1  THR  35           1HG      THR  35   4.497  10.917   5.595
  253   HG21  THR  35          3HG2      THR  35   5.070  11.226   3.249
  254   HG22  THR  35          1HG2      THR  35   5.668   9.552   3.225
  255   HG23  THR  35          2HG2      THR  35   6.764  10.897   2.840
  256    H    ALA  36           H        ALA  36   7.205   8.543   7.448
  257    HA   ALA  36           HA       ALA  36   7.973  10.501   9.420
  258    HB1  ALA  36           1HB      ALA  36   7.608   7.482   9.626
  259    HB2  ALA  36           2HB      ALA  36   7.722   8.615  10.991
  260    HB3  ALA  36           3HB      ALA  36   6.347   8.713   9.872
  261    H    LEU  37           H        LEU  37   9.890  10.888  10.406
  262    HA   LEU  37           HA       LEU  37  12.324   9.749   9.239
  263    HB2  LEU  37           1HB      LEU  37  11.967  12.179   9.562
  264    HB3  LEU  37           2HB      LEU  37  11.873  11.934  11.306
  265    HG   LEU  37           HG       LEU  37  14.240  11.195  11.347
  266   HD11  LEU  37          1HD1      LEU  37  15.666  11.563   9.336
  267   HD12  LEU  37          2HD1      LEU  37  14.206  11.861   8.366
  268   HD13  LEU  37          3HD1      LEU  37  14.504  10.261   9.084
  269   HD21  LEU  37          3HD2      LEU  37  13.811  13.844   9.908
  270   HD22  LEU  37          1HD2      LEU  37  15.237  13.383  10.865
  271   HD23  LEU  37          2HD2      LEU  37  13.667  13.570  11.659
  272    H    ASP  38           H        ASP  38  10.584   9.457  12.279
  273    HA   ASP  38           HA       ASP  38  12.420   7.358  13.265
  274    HB2  ASP  38           1HB      ASP  38  13.316   9.453  14.202
  275    HB3  ASP  38           2HB      ASP  38  11.732   9.867  14.847
  Start of MODEL    3
    1    H1   GLY   1           1H       GLY   1  -3.679 -21.875 -14.398
    2    H2   GLY   1           2H       GLY   1  -5.217 -22.441 -14.403
    3    H3   GLY   1           3H       GLY   1  -4.805 -21.198 -13.419
    4    HA2  GLY   1           1HA      GLY   1  -4.386 -19.760 -15.299
    5    HA3  GLY   1           2HA      GLY   1  -4.813 -21.107 -16.368
    6    H    SER   2           H        SER   2  -6.013 -18.346 -15.789
    7    HA   SER   2           HA       SER   2  -8.867 -19.175 -15.462
    8    HB2  SER   2           1HB      SER   2  -7.544 -16.797 -14.100
    9    HB3  SER   2           2HB      SER   2  -9.272 -17.194 -14.067
   10    HG   SER   2           HG       SER   2  -8.165 -17.944 -12.195
   11    H    SER   3           H        SER   3 -10.411 -17.771 -16.424
   12    HA   SER   3           HA       SER   3  -9.545 -16.526 -18.899
   13    HB2  SER   3           1HB      SER   3 -11.983 -16.143 -19.209
   14    HB3  SER   3           2HB      SER   3 -11.567 -17.825 -18.843
   15    HG   SER   3           HG       SER   3 -13.367 -17.074 -17.610
   16    H    GLY   4           H        GLY   4 -10.010 -15.276 -15.720
   17    HA2  GLY   4           1HA      GLY   4  -9.121 -12.649 -16.372
   18    HA3  GLY   4           2HA      GLY   4 -10.874 -12.624 -16.155
   19    H    SER   5           H        SER   5  -9.855 -11.081 -14.455
   20    HA   SER   5           HA       SER   5  -9.686 -12.483 -11.819
   21    HB2  SER   5           1HB      SER   5  -7.923 -10.173 -12.728
   22    HB3  SER   5           2HB      SER   5  -7.982 -10.851 -11.091
   23    HG   SER   5           HG       SER   5  -6.253 -11.714 -12.346
   24    H    SER   6           H        SER   6 -10.569 -11.390 -10.066
   25    HA   SER   6           HA       SER   6 -12.761  -9.640 -10.639
   26    HB2  SER   6           1HB      SER   6 -11.559 -10.373  -7.947
   27    HB3  SER   6           2HB      SER   6 -13.187  -9.735  -8.245
   28    HG   SER   6           HG       SER   6 -13.183 -12.023  -8.021
   29    H    GLY   7           H        GLY   7  -9.477  -8.855  -9.914
   30    HA2  GLY   7           1HA      GLY   7  -9.781  -6.063 -10.262
   31    HA3  GLY   7           2HA      GLY   7  -9.713  -6.386  -8.528
   32    H    ILE   8           H        ILE   8  -7.783  -4.865  -9.249
   33    HA   ILE   8           HA       ILE   8  -5.313  -6.536  -9.339
   34    HB   ILE   8           HB       ILE   8  -5.689  -3.902 -10.821
   35   HG12  ILE   8          1HG1      ILE   8  -5.426  -6.746 -11.903
   36   HG13  ILE   8          2HG1      ILE   8  -6.865  -5.729 -11.982
   37   HG21  ILE   8          1HG2      ILE   8  -3.388  -4.215  -9.919
   38   HG22  ILE   8          2HG2      ILE   8  -3.296  -5.802 -10.717
   39   HG23  ILE   8          3HG2      ILE   8  -3.399  -4.301 -11.663
   40   HD11  ILE   8          3HD1      ILE   8  -4.276  -5.284 -13.495
   41   HD12  ILE   8          1HD1      ILE   8  -5.873  -5.689 -14.136
   42   HD13  ILE   8          2HD1      ILE   8  -5.602  -4.093 -13.407
   43    H    LEU   9           H        LEU   9  -3.862  -6.035  -7.780
   44    HA   LEU   9           HA       LEU   9  -4.620  -4.185  -5.671
   45    HB2  LEU   9           1HB      LEU   9  -2.350  -6.143  -6.110
   46    HB3  LEU   9           2HB      LEU   9  -2.241  -4.924  -4.848
   47    HG   LEU   9           HG       LEU   9  -4.291  -5.711  -3.802
   48   HD11  LEU   9          1HD1      LEU   9  -5.526  -6.732  -5.643
   49   HD12  LEU   9          2HD1      LEU   9  -5.233  -7.939  -4.393
   50   HD13  LEU   9          3HD1      LEU   9  -4.241  -7.947  -5.868
   51   HD21  LEU   9          3HD2      LEU   9  -2.231  -7.897  -4.251
   52   HD22  LEU   9          1HD2      LEU   9  -3.373  -7.799  -2.892
   53   HD23  LEU   9          2HD2      LEU   9  -2.115  -6.569  -3.073
   54    H    LEU  10           H        LEU  10  -3.615  -2.403  -4.934
   55    HA   LEU  10           HA       LEU  10  -1.955  -0.778  -6.760
   56    HB2  LEU  10           1HB      LEU  10  -2.904  -0.147  -3.944
   57    HB3  LEU  10           2HB      LEU  10  -2.285   0.978  -5.151
   58    HG   LEU  10           HG       LEU  10  -4.955  -0.489  -5.292
   59   HD11  LEU  10          1HD1      LEU  10  -4.841   1.253  -3.559
   60   HD12  LEU  10          2HD1      LEU  10  -5.918   1.723  -4.886
   61   HD13  LEU  10          3HD1      LEU  10  -4.291   2.435  -4.768
   62   HD21  LEU  10          3HD2      LEU  10  -3.765   1.645  -7.123
   63   HD22  LEU  10          1HD2      LEU  10  -5.434   1.033  -7.190
   64   HD23  LEU  10          2HD2      LEU  10  -4.087  -0.051  -7.558
   65    H    LYS  11           H        LYS  11   0.153  -0.019  -6.066
   66    HA   LYS  11           HA       LYS  11   1.552  -1.781  -4.081
   67    HB2  LYS  11           1HB      LYS  11   2.487  -1.035  -6.879
   68    HB3  LYS  11           2HB      LYS  11   3.433  -1.907  -5.670
   69    HG2  LYS  11           1HG      LYS  11   1.734  -3.736  -5.670
   70    HG3  LYS  11           2HG      LYS  11   0.837  -2.886  -6.943
   71    HD2  LYS  11           1HD      LYS  11   2.820  -3.025  -8.432
   72    HD3  LYS  11           2HD      LYS  11   3.701  -3.908  -7.164
   73    HE2  LYS  11           1HE      LYS  11   1.967  -5.689  -7.206
   74    HE3  LYS  11           2HE      LYS  11   1.086  -4.807  -8.460
   75    HZ1  LYS  11           3HZ      LYS  11   3.021  -5.084  -9.921
   76    HZ2  LYS  11           1HZ      LYS  11   2.490  -6.543  -9.419
   77    HZ3  LYS  11           2HZ      LYS  11   3.835  -5.900  -8.762
   78    H    CYS  12           H        CYS  12   3.258  -0.973  -2.986
   79    HA   CYS  12           HA       CYS  12   3.490   1.879  -2.627
   80    HB2  CYS  12           1HB      CYS  12   3.735   0.169  -0.870
   81    HB3  CYS  12           2HB      CYS  12   5.216  -0.416  -1.656
   82    HA   PRO  13           HA       PRO  13   6.541   2.246  -5.965
   83    HB2  PRO  13           1HB      PRO  13   6.809   4.930  -6.077
   84    HB3  PRO  13           2HB      PRO  13   5.242   4.144  -6.438
   85    HG2  PRO  13           1HG      PRO  13   6.135   5.385  -3.809
   86    HG3  PRO  13           2HG      PRO  13   4.615   5.688  -4.709
   87    HD2  PRO  13           1HD      PRO  13   4.824   3.863  -2.651
   88    HD3  PRO  13           2HD      PRO  13   3.695   3.648  -4.026
   89    H    THR  14           H        THR  14   7.241   2.694  -2.678
   90    HA   THR  14           HA       THR  14   9.683   4.201  -2.866
   91    HB   THR  14           HB       THR  14   8.797   2.487  -0.525
   92    HG1  THR  14           1HG      THR  14   7.130   3.808  -0.855
   93   HG21  THR  14          3HG2      THR  14   9.950   4.300   0.774
   94   HG22  THR  14          1HG2      THR  14  10.543   4.980  -0.752
   95   HG23  THR  14          2HG2      THR  14  11.056   3.357  -0.225
   96    H    ASP  15           H        ASP  15  11.828   3.610  -2.820
   97    HA   ASP  15           HA       ASP  15  12.605   1.090  -3.894
   98    HB2  ASP  15           1HB      ASP  15  13.887   3.158  -4.199
   99    HB3  ASP  15           2HB      ASP  15  14.240   3.222  -2.468
  100    H    GLY  16           H        GLY  16  13.286  -0.790  -3.025
  101    HA2  GLY  16           1HA      GLY  16  13.846  -2.414  -1.484
  102    HA3  GLY  16           2HA      GLY  16  14.030  -1.175  -0.243
  103    H    CYS  17           H        CYS  17  10.968  -0.623  -1.341
  104    HA   CYS  17           HA       CYS  17   9.666  -2.236   0.763
  105    HB2  CYS  17           1HB      CYS  17   9.374   0.262   0.388
  106    HB3  CYS  17           2HB      CYS  17   8.410  -0.169  -1.037
  107    H    ASP  18           H        ASP  18   7.765  -3.398   0.331
  108    HA   ASP  18           HA       ASP  18   7.457  -4.630  -2.369
  109    HB2  ASP  18           1HB      ASP  18   9.137  -5.899  -0.963
  110    HB3  ASP  18           2HB      ASP  18   7.844  -6.231   0.188
  111    H    TYR  19           H        TYR  19   5.877  -2.950  -0.188
  112    HA   TYR  19           HA       TYR  19   3.639  -4.591   0.568
  113    HB2  TYR  19           1HB      TYR  19   4.402  -2.754   1.925
  114    HB3  TYR  19           2HB      TYR  19   4.153  -1.611   0.624
  115    HD1  TYR  19           2HD      TYR  19   2.527  -3.681   3.220
  116    HD2  TYR  19           1HD      TYR  19   1.853  -0.835   0.044
  117    HE1  TYR  19           2HE      TYR  19   0.211  -3.300   4.048
  118    HE2  TYR  19           1HE      TYR  19  -0.449  -0.445   0.892
  119    HH   TYR  19           HH       TYR  19  -1.749  -2.157   3.756
  120    H    SER  20           H        SER  20   1.630  -4.813  -0.222
  121    HA   SER  20           HA       SER  20   0.595  -3.074  -2.335
  122    HB2  SER  20           1HB      SER  20  -0.160  -4.960  -3.740
  123    HB3  SER  20           2HB      SER  20   1.610  -4.842  -3.655
  124    HG   SER  20           HG       SER  20   0.931  -6.999  -3.392
  125    H    THR  21           H        THR  21  -1.673  -3.130  -2.590
  126    HA   THR  21           HA       THR  21  -3.365  -4.674  -0.758
  127    HB   THR  21           HB       THR  21  -2.583  -3.020   0.793
  128    HG1  THR  21           1HG      THR  21  -4.486  -2.345   1.463
  129   HG21  THR  21          3HG2      THR  21  -3.606  -0.858  -1.101
  130   HG22  THR  21          1HG2      THR  21  -1.896  -1.203  -0.784
  131   HG23  THR  21          2HG2      THR  21  -2.935  -0.624   0.525
  132    HA   PRO  22           HA       PRO  22  -6.221  -3.495  -4.031
  133    HB2  PRO  22           1HB      PRO  22  -8.610  -4.344  -3.050
  134    HB3  PRO  22           2HB      PRO  22  -7.315  -5.477  -3.541
  135    HG2  PRO  22           1HG      PRO  22  -7.932  -4.464  -0.743
  136    HG3  PRO  22           2HG      PRO  22  -7.710  -6.163  -1.277
  137    HD2  PRO  22           1HD      PRO  22  -5.689  -4.727  -0.163
  138    HD3  PRO  22           2HD      PRO  22  -5.371  -5.886  -1.478
  139    H    ASP  23           H        ASP  23  -6.117  -1.916  -0.976
  140    HA   ASP  23           HA       ASP  23  -8.354  -0.061  -1.683
  141    HB2  ASP  23           1HB      ASP  23  -8.427  -1.473   0.481
  142    HB3  ASP  23           2HB      ASP  23  -7.104  -0.488   1.006
  143    H    LYS  24           H        LYS  24  -8.017   2.035  -2.045
  144    HA   LYS  24           HA       LYS  24  -5.437   3.233  -2.305
  145    HB2  LYS  24           1HB      LYS  24  -7.436   3.915  -3.562
  146    HB3  LYS  24           2HB      LYS  24  -8.226   4.459  -2.074
  147    HG2  LYS  24           1HG      LYS  24  -6.536   6.223  -1.778
  148    HG3  LYS  24           2HG      LYS  24  -5.645   5.631  -3.194
  149    HD2  LYS  24           1HD      LYS  24  -7.591   6.162  -4.637
  150    HD3  LYS  24           2HD      LYS  24  -8.505   6.710  -3.213
  151    HE2  LYS  24           1HE      LYS  24  -6.798   8.459  -2.790
  152    HE3  LYS  24           2HE      LYS  24  -5.879   7.915  -4.201
  153    HZ1  LYS  24           3HZ      LYS  24  -8.640   9.019  -4.291
  154    HZ2  LYS  24           1HZ      LYS  24  -7.791   8.516  -5.593
  155    HZ3  LYS  24           2HZ      LYS  24  -7.292   9.815  -4.746
  156    H    TYR  25           H        TYR  25  -7.761   3.406   0.400
  157    HA   TYR  25           HA       TYR  25  -6.212   5.458   1.786
  158    HB2  TYR  25           1HB      TYR  25  -8.538   3.812   2.819
  159    HB3  TYR  25           2HB      TYR  25  -7.896   5.299   3.499
  160    HD1  TYR  25           2HD      TYR  25  -7.989   7.451   2.072
  161    HD2  TYR  25           1HD      TYR  25 -10.203   3.874   1.099
  162    HE1  TYR  25           2HE      TYR  25  -9.476   8.778   0.582
  163    HE2  TYR  25           1HE      TYR  25 -11.690   5.209  -0.397
  164    HH   TYR  25           HH       TYR  25 -11.268   8.743  -0.847
  165    H    LYS  26           H        LYS  26  -6.543   1.894   1.991
  166    HA   LYS  26           HA       LYS  26  -4.773   1.579   4.271
  167    HB2  LYS  26           1HB      LYS  26  -5.193  -0.311   1.930
  168    HB3  LYS  26           2HB      LYS  26  -4.383  -0.705   3.433
  169    HG2  LYS  26           1HG      LYS  26  -6.479  -0.231   4.707
  170    HG3  LYS  26           2HG      LYS  26  -7.326   0.047   3.195
  171    HD2  LYS  26           1HD      LYS  26  -6.762  -2.302   2.488
  172    HD3  LYS  26           2HD      LYS  26  -5.958  -2.546   4.053
  173    HE2  LYS  26           1HE      LYS  26  -8.100  -2.031   5.219
  174    HE3  LYS  26           2HE      LYS  26  -8.897  -1.812   3.656
  175    HZ1  LYS  26           3HZ      LYS  26  -9.268  -4.044   4.536
  176    HZ2  LYS  26           1HZ      LYS  26  -7.668  -4.350   4.604
  177    HZ3  LYS  26           2HZ      LYS  26  -8.404  -4.152   3.156
  178    H    LEU  27           H        LEU  27  -4.079   1.868   0.748
  179    HA   LEU  27           HA       LEU  27  -1.247   1.642   1.066
  180    HB2  LEU  27           1HB      LEU  27  -2.431   1.405  -1.105
  181    HB3  LEU  27           2HB      LEU  27  -2.817   3.121  -1.068
  182    HG   LEU  27           HG       LEU  27  -0.450   3.724  -1.224
  183   HD11  LEU  27          1HD1      LEU  27   0.658   1.866  -0.057
  184   HD12  LEU  27          2HD1      LEU  27   1.276   1.997  -1.698
  185   HD13  LEU  27          3HD1      LEU  27   0.101   0.722  -1.308
  186   HD21  LEU  27          3HD2      LEU  27  -1.766   3.271  -3.289
  187   HD22  LEU  27          1HD2      LEU  27  -1.161   1.597  -3.265
  188   HD23  LEU  27          2HD2      LEU  27  -0.032   2.949  -3.493
  189    H    GLN  28           H        GLN  28  -3.324   4.614   1.014
  190    HA   GLN  28           HA       GLN  28  -1.259   6.509   1.480
  191    HB2  GLN  28           1HB      GLN  28  -4.171   6.410   2.372
  192    HB3  GLN  28           2HB      GLN  28  -3.116   7.793   2.695
  193    HG2  GLN  28           1HG      GLN  28  -2.638   8.042   0.331
  194    HG3  GLN  28           2HG      GLN  28  -3.684   6.697  -0.093
  195   HE21  GLN  28          1HE2      GLN  28  -4.202   9.109  -1.313
  196   HE22  GLN  28          2HE2      GLN  28  -5.653   9.820  -0.612
  197    H    ALA  29           H        ALA  29  -3.096   4.631   3.858
  198    HA   ALA  29           HA       ALA  29  -1.719   5.543   6.178
  199    HB1  ALA  29           1HB      ALA  29  -3.914   4.426   6.214
  200    HB2  ALA  29           2HB      ALA  29  -3.155   2.899   5.708
  201    HB3  ALA  29           3HB      ALA  29  -2.759   3.609   7.284
  202    H    HIS  30           H        HIS  30  -0.627   3.222   3.769
  203    HA   HIS  30           HA       HIS  30   1.656   2.345   5.470
  204    HB2  HIS  30           1HB      HIS  30   0.661   0.657   4.060
  205    HB3  HIS  30           2HB      HIS  30   0.791   1.682   2.629
  206    HD1  HIS  30           1HD      HIS  30   3.107  -0.245   5.049
  207    HD2  HIS  30           2HD      HIS  30   3.112   1.798   1.378
  208    HE1  HIS  30           1HE      HIS  30   5.428  -0.572   4.085
  209    H    LEU  31           H        LEU  31   1.098   4.478   2.594
  210    HA   LEU  31           HA       LEU  31   3.810   4.970   2.005
  211    HB2  LEU  31           1HB      LEU  31   1.354   6.721   1.715
  212    HB3  LEU  31           2HB      LEU  31   2.917   7.177   1.055
  213    HG   LEU  31           HG       LEU  31   1.475   4.610   0.264
  214   HD11  LEU  31          1HD1      LEU  31   0.149   6.584  -0.395
  215   HD12  LEU  31          2HD1      LEU  31   0.878   5.807  -1.806
  216   HD13  LEU  31          3HD1      LEU  31   1.587   7.303  -1.157
  217   HD21  LEU  31          3HD2      LEU  31   2.973   4.669  -1.666
  218   HD22  LEU  31          1HD2      LEU  31   3.884   4.514  -0.166
  219   HD23  LEU  31          2HD2      LEU  31   3.814   6.087  -0.997
  220    H    LYS  32           H        LYS  32   1.808   6.588   4.477
  221    HA   LYS  32           HA       LYS  32   3.698   8.565   5.262
  222    HB2  LYS  32           1HB      LYS  32   2.524   8.660   7.388
  223    HB3  LYS  32           2HB      LYS  32   1.425   8.700   6.011
  224    HG2  LYS  32           1HG      LYS  32   0.657   6.479   6.408
  225    HG3  LYS  32           2HG      LYS  32   1.980   6.129   7.542
  226    HD2  LYS  32           1HD      LYS  32   1.097   7.728   9.161
  227    HD3  LYS  32           2HD      LYS  32  -0.143   8.260   8.025
  228    HE2  LYS  32           1HE      LYS  32  -1.053   6.798   9.776
  229    HE3  LYS  32           2HE      LYS  32  -1.307   6.145   8.159
  230    HZ1  LYS  32           3HZ      LYS  32  -0.527   4.484   9.813
  231    HZ2  LYS  32           1HZ      LYS  32   0.904   5.260   9.941
  232    HZ3  LYS  32           2HZ      LYS  32   0.446   4.573   8.508
  233    H    VAL  33           H        VAL  33   3.886   5.145   5.831
  234    HA   VAL  33           HA       VAL  33   5.651   5.197   8.098
  235    HB   VAL  33           HB       VAL  33   4.293   3.242   6.846
  236   HG11  VAL  33          1HG1      VAL  33   5.879   3.143   4.876
  237   HG12  VAL  33          2HG1      VAL  33   7.154   2.616   5.992
  238   HG13  VAL  33          3HG1      VAL  33   5.703   1.627   5.764
  239   HG21  VAL  33          3HG2      VAL  33   5.436   1.623   8.183
  240   HG22  VAL  33          1HG2      VAL  33   6.789   2.753   8.467
  241   HG23  VAL  33          2HG2      VAL  33   5.156   3.115   9.090
  242    H    HIS  34           H        HIS  34   6.189   5.872   4.732
  243    HA   HIS  34           HA       HIS  34   9.140   5.737   4.974
  244    HB2  HIS  34           1HB      HIS  34   7.340   6.325   2.597
  245    HB3  HIS  34           2HB      HIS  34   9.082   6.098   2.548
  246    HD1  HIS  34           1HD      HIS  34   9.795   3.475   3.641
  247    HD2  HIS  34           2HD      HIS  34   6.043   4.203   1.883
  248    HE1  HIS  34           1HE      HIS  34   8.926   1.204   2.914
  249    H    THR  35           H        THR  35   6.657   8.133   5.270
  250    HA   THR  35           HA       THR  35   8.583  10.360   4.715
  251    HB   THR  35           HB       THR  35   6.687  11.672   3.918
  252    HG1  THR  35           1HG      THR  35   4.711  10.660   3.601
  253   HG21  THR  35          3HG2      THR  35   6.305  10.568   1.805
  254   HG22  THR  35          1HG2      THR  35   6.758   8.987   2.476
  255   HG23  THR  35          2HG2      THR  35   7.981  10.267   2.296
  256    H    ALA  36           H        ALA  36   7.083   8.984   7.332
  257    HA   ALA  36           HA       ALA  36   6.051  11.175   8.762
  258    HB1  ALA  36           1HB      ALA  36   5.754   8.842   9.445
  259    HB2  ALA  36           2HB      ALA  36   7.494   8.694   9.787
  260    HB3  ALA  36           3HB      ALA  36   6.479   9.777  10.763
  261    H    LEU  37           H        LEU  37   6.848  12.590  10.250
  262    HA   LEU  37           HA       LEU  37   8.171  14.177  11.104
  263    HB2  LEU  37           1HB      LEU  37  10.278  12.017  11.345
  264    HB3  LEU  37           2HB      LEU  37  10.184  13.505  12.274
  265    HG   LEU  37           HG       LEU  37   8.192  11.202  12.418
  266   HD11  LEU  37          1HD1      LEU  37   9.124  10.863  14.658
  267   HD12  LEU  37          2HD1      LEU  37  10.276  12.194  14.404
  268   HD13  LEU  37          3HD1      LEU  37  10.388  10.713  13.428
  269   HD21  LEU  37          3HD2      LEU  37   7.280  12.409  14.389
  270   HD22  LEU  37          1HD2      LEU  37   7.040  13.324  12.898
  271   HD23  LEU  37          2HD2      LEU  37   8.335  13.793  14.025
  272    H    ASP  38           H        ASP  38   8.399  13.763   8.112
  273    HA   ASP  38           HA       ASP  38  10.970  14.884   7.346
  274    HB2  ASP  38           1HB      ASP  38   9.647  13.517   5.815
  275    HB3  ASP  38           2HB      ASP  38   8.330  14.686   5.863
  Start of MODEL    4
    1    H1   GLY   1           1H       GLY   1 -21.896  -5.121  -9.178
    2    H2   GLY   1           2H       GLY   1 -22.952  -6.347  -8.927
    3    H3   GLY   1           3H       GLY   1 -22.567  -5.899 -10.455
    4    HA2  GLY   1           1HA      GLY   1 -21.435  -7.945  -9.887
    5    HA3  GLY   1           2HA      GLY   1 -20.296  -6.619 -10.185
    6    H    SER   2           H        SER   2 -20.167  -9.126  -8.470
    7    HA   SER   2           HA       SER   2 -20.234  -8.306  -5.710
    8    HB2  SER   2           1HB      SER   2 -18.944 -10.756  -6.960
    9    HB3  SER   2           2HB      SER   2 -19.383 -10.538  -5.256
   10    HG   SER   2           HG       SER   2 -20.979 -11.716  -6.414
   11    H    SER   3           H        SER   3 -17.788  -7.795  -8.051
   12    HA   SER   3           HA       SER   3 -15.894  -6.861  -6.000
   13    HB2  SER   3           1HB      SER   3 -15.356  -9.299  -6.510
   14    HB3  SER   3           2HB      SER   3 -14.947  -8.781  -8.156
   15    HG   SER   3           HG       SER   3 -13.127  -8.833  -6.711
   16    H    GLY   4           H        GLY   4 -13.983  -5.772  -7.100
   17    HA2  GLY   4           1HA      GLY   4 -14.939  -3.721  -8.928
   18    HA3  GLY   4           2HA      GLY   4 -13.311  -3.885  -8.281
   19    H    SER   5           H        SER   5 -13.551  -3.024 -10.808
   20    HA   SER   5           HA       SER   5 -13.525  -5.132 -12.802
   21    HB2  SER   5           1HB      SER   5 -12.976  -3.272 -14.347
   22    HB3  SER   5           2HB      SER   5 -14.409  -2.967 -13.351
   23    HG   SER   5           HG       SER   5 -12.990  -1.149 -13.432
   24    H    SER   6           H        SER   6 -11.007  -3.689 -10.852
   25    HA   SER   6           HA       SER   6  -8.813  -4.439 -12.639
   26    HB2  SER   6           1HB      SER   6  -8.617  -2.512 -11.121
   27    HB3  SER   6           2HB      SER   6  -8.730  -3.603  -9.722
   28    HG   SER   6           HG       SER   6  -6.552  -3.141 -10.296
   29    H    GLY   7           H        GLY   7  -7.503  -6.174 -12.559
   30    HA2  GLY   7           1HA      GLY   7  -8.299  -8.565 -11.016
   31    HA3  GLY   7           2HA      GLY   7  -7.088  -8.458 -12.299
   32    H    ILE   8           H        ILE   8  -6.231  -5.965 -10.327
   33    HA   ILE   8           HA       ILE   8  -4.363  -7.652  -8.720
   34    HB   ILE   8           HB       ILE   8  -2.505  -6.270  -9.433
   35   HG12  ILE   8          1HG1      ILE   8  -4.356  -5.067 -11.539
   36   HG13  ILE   8          2HG1      ILE   8  -3.790  -4.223 -10.094
   37   HG21  ILE   8          1HG2      ILE   8  -2.112  -7.361 -11.533
   38   HG22  ILE   8          2HG2      ILE   8  -3.066  -8.451 -10.528
   39   HG23  ILE   8          3HG2      ILE   8  -3.850  -7.543 -11.840
   40   HD11  ILE   8          3HD1      ILE   8  -1.433  -4.533 -10.855
   41   HD12  ILE   8          1HD1      ILE   8  -2.053  -5.220 -12.377
   42   HD13  ILE   8          2HD1      ILE   8  -2.426  -3.543 -11.947
   43    H    LEU   9           H        LEU   9  -3.240  -6.693  -7.054
   44    HA   LEU   9           HA       LEU   9  -4.566  -4.590  -5.506
   45    HB2  LEU   9           1HB      LEU   9  -2.108  -6.346  -5.160
   46    HB3  LEU   9           2HB      LEU   9  -2.405  -4.966  -4.115
   47    HG   LEU   9           HG       LEU   9  -4.490  -5.855  -3.340
   48   HD11  LEU   9          1HD1      LEU   9  -3.932  -8.299  -5.065
   49   HD12  LEU   9          2HD1      LEU   9  -5.324  -7.192  -5.197
   50   HD13  LEU   9          3HD1      LEU   9  -5.152  -8.219  -3.775
   51   HD21  LEU   9          3HD2      LEU   9  -2.413  -6.436  -2.167
   52   HD22  LEU   9          1HD2      LEU   9  -2.248  -7.894  -3.162
   53   HD23  LEU   9          2HD2      LEU   9  -3.608  -7.731  -2.028
   54    H    LEU  10           H        LEU  10  -3.514  -2.678  -4.777
   55    HA   LEU  10           HA       LEU  10  -1.822  -1.257  -6.739
   56    HB2  LEU  10           1HB      LEU  10  -2.684  -0.388  -3.957
   57    HB3  LEU  10           2HB      LEU  10  -2.071   0.626  -5.259
   58    HG   LEU  10           HG       LEU  10  -4.779  -0.784  -5.251
   59   HD11  LEU  10          1HD1      LEU  10  -4.603   1.026  -3.595
   60   HD12  LEU  10          2HD1      LEU  10  -5.691   1.464  -4.923
   61   HD13  LEU  10          3HD1      LEU  10  -4.049   2.145  -4.859
   62   HD21  LEU  10          3HD2      LEU  10  -5.268   0.658  -7.201
   63   HD22  LEU  10          1HD2      LEU  10  -3.935  -0.453  -7.548
   64   HD23  LEU  10          2HD2      LEU  10  -3.593   1.255  -7.187
   65    H    LYS  11           H        LYS  11   0.331  -0.499  -6.144
   66    HA   LYS  11           HA       LYS  11   1.619  -1.927  -3.851
   67    HB2  LYS  11           1HB      LYS  11   2.571  -1.777  -6.721
   68    HB3  LYS  11           2HB      LYS  11   3.735  -1.838  -5.395
   69    HG2  LYS  11           1HG      LYS  11   2.523  -3.863  -4.501
   70    HG3  LYS  11           2HG      LYS  11   1.612  -3.921  -6.024
   71    HD2  LYS  11           1HD      LYS  11   3.767  -4.155  -7.262
   72    HD3  LYS  11           2HD      LYS  11   4.655  -4.008  -5.729
   73    HE2  LYS  11           1HE      LYS  11   3.351  -6.031  -4.893
   74    HE3  LYS  11           2HE      LYS  11   2.753  -6.243  -6.545
   75    HZ1  LYS  11           3HZ      LYS  11   5.599  -6.303  -5.666
   76    HZ2  LYS  11           1HZ      LYS  11   5.128  -6.414  -7.238
   77    HZ3  LYS  11           2HZ      LYS  11   4.727  -7.587  -6.171
   78    H    CYS  12           H        CYS  12   3.246  -1.059  -2.809
   79    HA   CYS  12           HA       CYS  12   3.370   1.769  -2.444
   80    HB2  CYS  12           1HB      CYS  12   3.738   0.046  -0.745
   81    HB3  CYS  12           2HB      CYS  12   5.220  -0.473  -1.582
   82    HA   PRO  13           HA       PRO  13   6.300   2.567  -5.768
   83    HB2  PRO  13           1HB      PRO  13   6.521   5.254  -5.603
   84    HB3  PRO  13           2HB      PRO  13   4.961   4.470  -5.997
   85    HG2  PRO  13           1HG      PRO  13   5.910   5.449  -3.277
   86    HG3  PRO  13           2HG      PRO  13   4.356   5.809  -4.097
   87    HD2  PRO  13           1HD      PRO  13   4.636   3.790  -2.255
   88    HD3  PRO  13           2HD      PRO  13   3.510   3.670  -3.643
   89    H    THR  14           H        THR  14   7.157   3.020  -2.427
   90    HA   THR  14           HA       THR  14   9.630   4.404  -2.776
   91    HB   THR  14           HB       THR  14   8.719   2.707  -0.429
   92    HG1  THR  14           1HG      THR  14   8.009   4.723   0.333
   93   HG21  THR  14          3HG2      THR  14  10.145   4.290   0.895
   94   HG22  THR  14          1HG2      THR  14  10.777   4.955  -0.625
   95   HG23  THR  14          2HG2      THR  14  11.091   3.261  -0.179
   96    H    ASP  15           H        ASP  15  11.759   3.766  -2.861
   97    HA   ASP  15           HA       ASP  15  12.399   1.305  -4.111
   98    HB2  ASP  15           1HB      ASP  15  13.718   3.354  -4.356
   99    HB3  ASP  15           2HB      ASP  15  14.180   3.291  -2.654
  100    H    GLY  16           H        GLY  16  13.088  -0.644  -3.422
  101    HA2  GLY  16           1HA      GLY  16  13.708  -2.383  -2.034
  102    HA3  GLY  16           2HA      GLY  16  13.970  -1.244  -0.716
  103    H    CYS  17           H        CYS  17  10.878  -0.555  -1.602
  104    HA   CYS  17           HA       CYS  17   9.648  -2.397   0.366
  105    HB2  CYS  17           1HB      CYS  17   9.481   0.154   0.431
  106    HB3  CYS  17           2HB      CYS  17   8.408   0.010  -0.974
  107    H    ASP  18           H        ASP  18   7.848  -3.618  -0.128
  108    HA   ASP  18           HA       ASP  18   6.936  -3.904  -2.928
  109    HB2  ASP  18           1HB      ASP  18   8.879  -5.477  -2.563
  110    HB3  ASP  18           2HB      ASP  18   7.914  -6.303  -1.340
  111    H    TYR  19           H        TYR  19   5.860  -2.984  -0.246
  112    HA   TYR  19           HA       TYR  19   3.763  -4.730   0.620
  113    HB2  TYR  19           1HB      TYR  19   4.518  -2.900   1.985
  114    HB3  TYR  19           2HB      TYR  19   4.177  -1.732   0.722
  115    HD1  TYR  19           2HD      TYR  19   2.699  -3.862   3.357
  116    HD2  TYR  19           1HD      TYR  19   1.875  -0.953   0.272
  117    HE1  TYR  19           2HE      TYR  19   0.450  -3.431   4.348
  118    HE2  TYR  19           1HE      TYR  19  -0.339  -0.506   1.282
  119    HH   TYR  19           HH       TYR  19  -1.765  -0.947   3.035
  120    H    SER  20           H        SER  20   1.640  -4.913   0.054
  121    HA   SER  20           HA       SER  20   0.553  -3.294  -2.145
  122    HB2  SER  20           1HB      SER  20  -0.316  -5.220  -3.355
  123    HB3  SER  20           2HB      SER  20   1.451  -5.260  -3.296
  124    HG   SER  20           HG       SER  20   1.362  -6.829  -1.701
  125    H    THR  21           H        THR  21  -1.686  -3.229  -2.340
  126    HA   THR  21           HA       THR  21  -3.453  -4.594  -0.468
  127    HB   THR  21           HB       THR  21  -2.607  -2.930   1.061
  128    HG1  THR  21           1HG      THR  21  -4.502  -2.321   1.725
  129   HG21  THR  21          3HG2      THR  21  -2.876  -0.543   0.744
  130   HG22  THR  21          1HG2      THR  21  -3.539  -0.779  -0.885
  131   HG23  THR  21          2HG2      THR  21  -1.843  -1.177  -0.542
  132    HA   PRO  22           HA       PRO  22  -6.082  -3.420  -3.895
  133    HB2  PRO  22           1HB      PRO  22  -8.540  -4.231  -3.092
  134    HB3  PRO  22           2HB      PRO  22  -7.206  -5.381  -3.413
  135    HG2  PRO  22           1HG      PRO  22  -8.062  -4.233  -0.728
  136    HG3  PRO  22           2HG      PRO  22  -7.816  -5.959  -1.160
  137    HD2  PRO  22           1HD      PRO  22  -5.875  -4.486   0.050
  138    HD3  PRO  22           2HD      PRO  22  -5.473  -5.716  -1.176
  139    H    ASP  23           H        ASP  23  -6.183  -1.707  -0.917
  140    HA   ASP  23           HA       ASP  23  -8.249   0.202  -1.949
  141    HB2  ASP  23           1HB      ASP  23  -8.559  -1.100   0.324
  142    HB3  ASP  23           2HB      ASP  23  -7.372   0.032   0.904
  143    H    LYS  24           H        LYS  24  -7.695   2.245  -2.425
  144    HA   LYS  24           HA       LYS  24  -4.992   3.162  -2.291
  145    HB2  LYS  24           1HB      LYS  24  -5.691   5.147  -3.284
  146    HB3  LYS  24           2HB      LYS  24  -6.664   3.879  -3.997
  147    HG2  LYS  24           1HG      LYS  24  -7.584   5.880  -1.876
  148    HG3  LYS  24           2HG      LYS  24  -7.907   5.962  -3.603
  149    HD2  LYS  24           1HD      LYS  24  -9.171   3.794  -3.444
  150    HD3  LYS  24           2HD      LYS  24  -8.962   3.859  -1.675
  151    HE2  LYS  24           1HE      LYS  24 -10.078   6.068  -1.628
  152    HE3  LYS  24           2HE      LYS  24 -10.335   5.977  -3.374
  153    HZ1  LYS  24           3HZ      LYS  24 -11.686   3.978  -3.002
  154    HZ2  LYS  24           1HZ      LYS  24 -12.297   5.228  -2.154
  155    HZ3  LYS  24           2HZ      LYS  24 -11.443   4.064  -1.386
  156    H    TYR  25           H        TYR  25  -7.601   3.579   0.085
  157    HA   TYR  25           HA       TYR  25  -6.153   5.672   1.549
  158    HB2  TYR  25           1HB      TYR  25  -8.425   3.875   2.459
  159    HB3  TYR  25           2HB      TYR  25  -7.831   5.300   3.288
  160    HD1  TYR  25           1HD      TYR  25  -7.605   7.353   1.170
  161    HD2  TYR  25           2HD      TYR  25 -10.631   4.350   1.853
  162    HE1  TYR  25           1HE      TYR  25  -9.299   8.810   0.083
  163    HE2  TYR  25           2HE      TYR  25 -12.335   5.835   0.811
  164    HH   TYR  25           HH       TYR  25 -12.746   7.858  -0.196
  165    H    LYS  26           H        LYS  26  -6.436   2.124   1.736
  166    HA   LYS  26           HA       LYS  26  -4.788   1.800   4.109
  167    HB2  LYS  26           1HB      LYS  26  -5.322  -0.120   1.808
  168    HB3  LYS  26           2HB      LYS  26  -4.540  -0.539   3.330
  169    HG2  LYS  26           1HG      LYS  26  -6.603   0.072   4.574
  170    HG3  LYS  26           2HG      LYS  26  -7.418   0.444   3.066
  171    HD2  LYS  26           1HD      LYS  26  -7.048  -1.932   2.322
  172    HD3  LYS  26           2HD      LYS  26  -6.276  -2.268   3.885
  173    HE2  LYS  26           1HE      LYS  26  -8.372  -1.591   5.052
  174    HE3  LYS  26           2HE      LYS  26  -9.142  -1.291   3.489
  175    HZ1  LYS  26           3HZ      LYS  26  -8.125  -3.930   4.411
  176    HZ2  LYS  26           1HZ      LYS  26  -8.838  -3.657   2.965
  177    HZ3  LYS  26           2HZ      LYS  26  -9.695  -3.497   4.344
  178    H    LEU  27           H        LEU  27  -4.028   2.055   0.630
  179    HA   LEU  27           HA       LEU  27  -1.206   1.646   0.977
  180    HB2  LEU  27           1HB      LEU  27  -2.404   1.436  -1.190
  181    HB3  LEU  27           2HB      LEU  27  -2.683   3.177  -1.185
  182    HG   LEU  27           HG       LEU  27  -0.246   3.596  -1.303
  183   HD11  LEU  27          1HD1      LEU  27   1.282   1.693  -1.816
  184   HD12  LEU  27          2HD1      LEU  27  -0.013   0.553  -1.403
  185   HD13  LEU  27          3HD1      LEU  27   0.679   1.637  -0.167
  186   HD21  LEU  27          3HD2      LEU  27  -1.187   1.600  -3.387
  187   HD22  LEU  27          1HD2      LEU  27   0.100   2.805  -3.588
  188   HD23  LEU  27          2HD2      LEU  27  -1.578   3.335  -3.379
  189    H    GLN  28           H        GLN  28  -3.129   4.707   0.796
  190    HA   GLN  28           HA       GLN  28  -1.017   6.541   1.228
  191    HB2  GLN  28           1HB      GLN  28  -3.959   6.539   2.014
  192    HB3  GLN  28           2HB      GLN  28  -2.896   7.911   2.367
  193    HG2  GLN  28           1HG      GLN  28  -2.332   8.181   0.062
  194    HG3  GLN  28           2HG      GLN  28  -3.244   6.769  -0.436
  195   HE21  GLN  28          1HE2      GLN  28  -4.027   8.789  -1.878
  196   HE22  GLN  28          2HE2      GLN  28  -5.493   9.539  -1.262
  197    H    ALA  29           H        ALA  29  -2.991   4.861   3.652
  198    HA   ALA  29           HA       ALA  29  -1.663   5.780   5.985
  199    HB1  ALA  29           1HB      ALA  29  -3.012   3.093   5.487
  200    HB2  ALA  29           2HB      ALA  29  -2.671   3.816   7.070
  201    HB3  ALA  29           3HB      ALA  29  -3.826   4.597   5.972
  202    H    HIS  30           H        HIS  30  -0.602   3.242   3.701
  203    HA   HIS  30           HA       HIS  30   1.667   2.448   5.417
  204    HB2  HIS  30           1HB      HIS  30   0.655   0.764   4.028
  205    HB3  HIS  30           2HB      HIS  30   0.875   1.734   2.573
  206    HD1  HIS  30           1HD      HIS  30   2.982  -0.327   5.056
  207    HD2  HIS  30           2HD      HIS  30   3.259   1.790   1.441
  208    HE1  HIS  30           1HE      HIS  30   5.303  -0.812   4.153
  209    H    LEU  31           H        LEU  31   1.188   4.690   2.615
  210    HA   LEU  31           HA       LEU  31   3.950   5.251   2.179
  211    HB2  LEU  31           1HB      LEU  31   1.643   7.210   2.009
  212    HB3  LEU  31           2HB      LEU  31   3.236   7.434   1.312
  213    HG   LEU  31           HG       LEU  31   1.168   5.389   0.437
  214   HD11  LEU  31          1HD1      LEU  31   1.106   6.692  -1.619
  215   HD12  LEU  31          2HD1      LEU  31   2.323   7.817  -0.972
  216   HD13  LEU  31          3HD1      LEU  31   0.710   7.717  -0.230
  217   HD21  LEU  31          3HD2      LEU  31   3.388   4.401   0.127
  218   HD22  LEU  31          1HD2      LEU  31   3.956   5.889  -0.671
  219   HD23  LEU  31          2HD2      LEU  31   2.695   4.880  -1.421
  220    H    LYS  32           H        LYS  32   1.774   6.508   4.695
  221    HA   LYS  32           HA       LYS  32   3.549   8.411   5.861
  222    HB2  LYS  32           1HB      LYS  32   1.426   6.706   7.217
  223    HB3  LYS  32           2HB      LYS  32   2.253   8.096   7.927
  224    HG2  LYS  32           1HG      LYS  32   1.386   9.399   5.812
  225    HG3  LYS  32           2HG      LYS  32   0.222   8.071   5.680
  226    HD2  LYS  32           1HD      LYS  32   0.681   9.864   8.089
  227    HD3  LYS  32           2HD      LYS  32  -0.669  10.014   6.963
  228    HE2  LYS  32           1HE      LYS  32  -1.710   8.030   7.728
  229    HE3  LYS  32           2HE      LYS  32  -0.221   7.418   8.463
  230    HZ1  LYS  32           3HZ      LYS  32  -0.337   9.173  10.109
  231    HZ2  LYS  32           1HZ      LYS  32  -1.716   8.276  10.165
  232    HZ3  LYS  32           2HZ      LYS  32  -1.707   9.781   9.502
  233    H    VAL  33           H        VAL  33   3.810   4.926   5.964
  234    HA   VAL  33           HA       VAL  33   5.537   4.838   8.297
  235    HB   VAL  33           HB       VAL  33   4.172   2.941   6.893
  236   HG11  VAL  33          1HG1      VAL  33   5.857   2.872   5.018
  237   HG12  VAL  33          2HG1      VAL  33   7.081   2.346   6.192
  238   HG13  VAL  33          3HG1      VAL  33   5.655   1.343   5.878
  239   HG21  VAL  33          3HG2      VAL  33   4.918   2.769   9.191
  240   HG22  VAL  33          1HG2      VAL  33   5.277   1.294   8.279
  241   HG23  VAL  33          2HG2      VAL  33   6.586   2.446   8.649
  242    H    HIS  34           H        HIS  34   6.021   5.668   4.965
  243    HA   HIS  34           HA       HIS  34   8.980   5.574   5.178
  244    HB2  HIS  34           1HB      HIS  34   7.156   6.230   2.834
  245    HB3  HIS  34           2HB      HIS  34   8.910   6.092   2.780
  246    HD1  HIS  34           1HD      HIS  34   9.756   3.465   3.741
  247    HD2  HIS  34           2HD      HIS  34   5.940   4.061   2.071
  248    HE1  HIS  34           1HE      HIS  34   8.971   1.174   2.999
  249    H    THR  35           H        THR  35   6.325   7.980   4.770
  250    HA   THR  35           HA       THR  35   8.241  10.200   4.633
  251    HB   THR  35           HB       THR  35   6.295  11.630   4.408
  252    HG1  THR  35           1HG      THR  35   4.230  10.605   4.355
  253   HG21  THR  35          3HG2      THR  35   7.096  10.398   2.390
  254   HG22  THR  35          1HG2      THR  35   5.366  10.771   2.340
  255   HG23  THR  35          2HG2      THR  35   5.903   9.121   2.718
  256    H    ALA  36           H        ALA  36   6.334   8.736   7.185
  257    HA   ALA  36           HA       ALA  36   5.810   9.273   9.282
  258    HB1  ALA  36           1HB      ALA  36   7.604  10.030  10.735
  259    HB2  ALA  36           2HB      ALA  36   8.216   8.874   9.539
  260    HB3  ALA  36           3HB      ALA  36   8.532  10.614   9.338
  261    H    LEU  37           H        LEU  37   4.764  11.051   7.311
  262    HA   LEU  37           HA       LEU  37   5.023  13.785   8.026
  263    HB2  LEU  37           1HB      LEU  37   4.469  12.841   5.824
  264    HB3  LEU  37           2HB      LEU  37   2.905  12.307   6.403
  265    HG   LEU  37           HG       LEU  37   2.978  14.317   4.915
  266   HD11  LEU  37          1HD1      LEU  37   1.663  14.966   7.568
  267   HD12  LEU  37          2HD1      LEU  37   1.016  13.829   6.365
  268   HD13  LEU  37          3HD1      LEU  37   1.225  15.538   5.956
  269   HD21  LEU  37          3HD2      LEU  37   3.556  16.500   5.767
  270   HD22  LEU  37          1HD2      LEU  37   4.961  15.428   5.893
  271   HD23  LEU  37          2HD2      LEU  37   4.008  15.825   7.343
  272    H    ASP  38           H        ASP  38   2.563  11.399   8.971
  273    HA   ASP  38           HA       ASP  38   1.415  13.241  11.011
  274    HB2  ASP  38           1HB      ASP  38   0.031  13.658   9.123
  275    HB3  ASP  38           2HB      ASP  38  -0.054  11.963   8.691
  Start of MODEL    5
    1    H1   GLY   1           1H       GLY   1 -15.360   4.441 -16.584
    2    H2   GLY   1           2H       GLY   1 -14.605   5.367 -15.466
    3    H3   GLY   1           3H       GLY   1 -15.280   6.066 -16.788
    4    HA2  GLY   1           1HA      GLY   1 -16.672   6.456 -14.873
    5    HA3  GLY   1           2HA      GLY   1 -17.488   5.433 -16.072
    6    H    SER   2           H        SER   2 -18.844   4.619 -14.376
    7    HA   SER   2           HA       SER   2 -17.822   3.227 -12.071
    8    HB2  SER   2           1HB      SER   2 -20.561   3.072 -13.381
    9    HB3  SER   2           2HB      SER   2 -20.143   2.515 -11.749
   10    HG   SER   2           HG       SER   2 -21.070   4.623 -11.744
   11    H    SER   3           H        SER   3 -17.900   1.023 -11.563
   12    HA   SER   3           HA       SER   3 -17.397  -1.158 -11.824
   13    HB2  SER   3           1HB      SER   3 -19.772  -1.079 -12.705
   14    HB3  SER   3           2HB      SER   3 -19.081  -1.199 -14.335
   15    HG   SER   3           HG       SER   3 -19.647  -3.248 -13.364
   16    H    GLY   4           H        GLY   4 -16.837  -2.892 -13.819
   17    HA2  GLY   4           1HA      GLY   4 -15.223  -3.588 -15.319
   18    HA3  GLY   4           2HA      GLY   4 -14.956  -1.908 -15.787
   19    H    SER   5           H        SER   5 -14.546  -2.650 -12.409
   20    HA   SER   5           HA       SER   5 -11.884  -1.744 -12.259
   21    HB2  SER   5           1HB      SER   5 -13.341  -3.553 -10.297
   22    HB3  SER   5           2HB      SER   5 -11.934  -2.530  -9.951
   23    HG   SER   5           HG       SER   5 -13.907  -1.524  -9.333
   24    H    SER   6           H        SER   6  -9.888  -2.744 -11.891
   25    HA   SER   6           HA       SER   6  -9.473  -5.270 -13.258
   26    HB2  SER   6           1HB      SER   6  -7.090  -4.819 -12.859
   27    HB3  SER   6           2HB      SER   6  -7.934  -3.451 -13.599
   28    HG   SER   6           HG       SER   6  -6.600  -2.744 -11.896
   29    H    GLY   7           H        GLY   7  -8.279  -7.061 -12.446
   30    HA2  GLY   7           1HA      GLY   7  -9.278  -8.024  -9.874
   31    HA3  GLY   7           2HA      GLY   7  -8.388  -8.931 -11.108
   32    H    ILE   8           H        ILE   8  -6.805  -6.047 -10.060
   33    HA   ILE   8           HA       ILE   8  -4.874  -7.709  -8.505
   34    HB   ILE   8           HB       ILE   8  -3.067  -6.682  -9.660
   35   HG12  ILE   8          1HG1      ILE   8  -5.106  -5.325 -11.478
   36   HG13  ILE   8          2HG1      ILE   8  -4.118  -4.508 -10.262
   37   HG21  ILE   8          1HG2      ILE   8  -3.182  -7.940 -11.696
   38   HG22  ILE   8          2HG2      ILE   8  -4.092  -8.817 -10.465
   39   HG23  ILE   8          3HG2      ILE   8  -4.957  -7.882 -11.708
   40   HD11  ILE   8          3HD1      ILE   8  -3.103  -4.155 -12.405
   41   HD12  ILE   8          1HD1      ILE   8  -2.058  -5.256 -11.479
   42   HD13  ILE   8          2HD1      ILE   8  -3.107  -5.888 -12.773
   43    H    LEU   9           H        LEU   9  -3.401  -6.652  -7.170
   44    HA   LEU   9           HA       LEU   9  -4.600  -4.562  -5.548
   45    HB2  LEU   9           1HB      LEU   9  -1.824  -5.759  -5.283
   46    HB3  LEU   9           2HB      LEU   9  -2.770  -4.944  -4.048
   47    HG   LEU   9           HG       LEU   9  -3.176  -7.715  -5.199
   48   HD11  LEU   9          1HD1      LEU   9  -2.904  -8.393  -2.853
   49   HD12  LEU   9          2HD1      LEU   9  -2.721  -6.693  -2.370
   50   HD13  LEU   9          3HD1      LEU   9  -1.511  -7.464  -3.419
   51   HD21  LEU   9          3HD2      LEU   9  -5.028  -6.217  -3.309
   52   HD22  LEU   9          1HD2      LEU   9  -5.125  -7.953  -3.665
   53   HD23  LEU   9          2HD2      LEU   9  -5.442  -6.775  -4.940
   54    H    LEU  10           H        LEU  10  -3.469  -2.677  -4.794
   55    HA   LEU  10           HA       LEU  10  -1.899  -1.179  -6.814
   56    HB2  LEU  10           1HB      LEU  10  -2.738  -0.356  -4.007
   57    HB3  LEU  10           2HB      LEU  10  -2.153   0.687  -5.301
   58    HG   LEU  10           HG       LEU  10  -4.837  -0.770  -5.284
   59   HD11  LEU  10          1HD1      LEU  10  -4.680   1.030  -3.616
   60   HD12  LEU  10          2HD1      LEU  10  -5.783   1.461  -4.933
   61   HD13  LEU  10          3HD1      LEU  10  -4.150   2.168  -4.876
   62   HD21  LEU  10          3HD2      LEU  10  -4.026  -0.412  -7.586
   63   HD22  LEU  10          1HD2      LEU  10  -3.700   1.299  -7.219
   64   HD23  LEU  10          2HD2      LEU  10  -5.366   0.682  -7.219
   65    H    LYS  11           H        LYS  11   0.261  -0.463  -6.321
   66    HA   LYS  11           HA       LYS  11   1.706  -2.067  -4.225
   67    HB2  LYS  11           1HB      LYS  11   2.557  -1.346  -7.056
   68    HB3  LYS  11           2HB      LYS  11   3.701  -1.760  -5.799
   69    HG2  LYS  11           1HG      LYS  11   3.399  -3.729  -6.999
   70    HG3  LYS  11           2HG      LYS  11   2.599  -3.954  -5.454
   71    HD2  LYS  11           1HD      LYS  11   1.361  -4.976  -7.293
   72    HD3  LYS  11           2HD      LYS  11   0.397  -3.718  -6.530
   73    HE2  LYS  11           1HE      LYS  11   0.968  -2.142  -8.355
   74    HE3  LYS  11           2HE      LYS  11   2.041  -3.346  -9.082
   75    HZ1  LYS  11           3HZ      LYS  11   0.114  -4.757  -9.476
   76    HZ2  LYS  11           1HZ      LYS  11  -0.160  -3.291 -10.147
   77    HZ3  LYS  11           2HZ      LYS  11  -0.892  -3.695  -8.734
   78    H    CYS  12           H        CYS  12   3.343  -1.151  -3.090
   79    HA   CYS  12           HA       CYS  12   3.304   1.675  -2.607
   80    HB2  CYS  12           1HB      CYS  12   3.764  -0.090  -0.956
   81    HB3  CYS  12           2HB      CYS  12   5.293  -0.461  -1.784
   82    HA   PRO  13           HA       PRO  13   6.227   2.693  -5.891
   83    HB2  PRO  13           1HB      PRO  13   6.356   5.383  -5.624
   84    HB3  PRO  13           2HB      PRO  13   4.837   4.559  -6.094
   85    HG2  PRO  13           1HG      PRO  13   5.669   5.475  -3.316
   86    HG3  PRO  13           2HG      PRO  13   4.125   5.805  -4.169
   87    HD2  PRO  13           1HD      PRO  13   4.429   3.740  -2.387
   88    HD3  PRO  13           2HD      PRO  13   3.353   3.618  -3.812
   89    H    THR  14           H        THR  14   6.999   3.080  -2.513
   90    HA   THR  14           HA       THR  14   9.485   4.484  -2.804
   91    HB   THR  14           HB       THR  14   8.531   2.774  -0.483
   92    HG1  THR  14           1HG      THR  14   8.254   5.559  -0.987
   93   HG21  THR  14          3HG2      THR  14  10.584   5.028  -0.633
   94   HG22  THR  14          1HG2      THR  14  10.873   3.336  -0.164
   95   HG23  THR  14          2HG2      THR  14   9.904   4.380   0.874
   96    H    ASP  15           H        ASP  15  11.602   3.826  -2.856
   97    HA   ASP  15           HA       ASP  15  12.227   1.332  -4.072
   98    HB2  ASP  15           1HB      ASP  15  13.534   3.382  -4.389
   99    HB3  ASP  15           2HB      ASP  15  14.020   3.360  -2.691
  100    H    GLY  16           H        GLY  16  13.017  -0.577  -3.342
  101    HA2  GLY  16           1HA      GLY  16  13.696  -2.262  -1.920
  102    HA3  GLY  16           2HA      GLY  16  13.932  -1.080  -0.634
  103    H    CYS  17           H        CYS  17  10.809  -0.527  -1.484
  104    HA   CYS  17           HA       CYS  17   9.669  -2.226   0.631
  105    HB2  CYS  17           1HB      CYS  17   9.299   0.264   0.328
  106    HB3  CYS  17           2HB      CYS  17   8.306  -0.144  -1.082
  107    H    ASP  18           H        ASP  18   7.904  -3.569   0.325
  108    HA   ASP  18           HA       ASP  18   7.389  -4.648  -2.408
  109    HB2  ASP  18           1HB      ASP  18   7.749  -6.853  -1.776
  110    HB3  ASP  18           2HB      ASP  18   9.129  -5.987  -1.126
  111    H    TYR  19           H        TYR  19   5.898  -3.063  -0.099
  112    HA   TYR  19           HA       TYR  19   3.661  -4.691   0.644
  113    HB2  TYR  19           1HB      TYR  19   4.396  -2.829   1.976
  114    HB3  TYR  19           2HB      TYR  19   4.156  -1.707   0.654
  115    HD1  TYR  19           2HD      TYR  19   2.486  -3.778   3.233
  116    HD2  TYR  19           1HD      TYR  19   1.897  -0.861   0.102
  117    HE1  TYR  19           2HE      TYR  19   0.186  -3.329   4.075
  118    HE2  TYR  19           1HE      TYR  19  -0.383  -0.406   0.961
  119    HH   TYR  19           HH       TYR  19  -1.727  -2.099   3.819
  120    H    SER  20           H        SER  20   1.626  -4.880  -0.098
  121    HA   SER  20           HA       SER  20   0.613  -3.218  -2.268
  122    HB2  SER  20           1HB      SER  20  -0.209  -5.204  -3.581
  123    HB3  SER  20           2HB      SER  20   1.542  -4.949  -3.628
  124    HG   SER  20           HG       SER  20   1.802  -6.605  -2.120
  125    H    THR  21           H        THR  21  -1.640  -3.202  -2.483
  126    HA   THR  21           HA       THR  21  -3.362  -4.634  -0.577
  127    HB   THR  21           HB       THR  21  -2.428  -2.927   0.867
  128    HG1  THR  21           1HG      THR  21  -4.292  -2.220   1.616
  129   HG21  THR  21          3HG2      THR  21  -2.792  -0.547   0.535
  130   HG22  THR  21          1HG2      THR  21  -3.559  -0.831  -1.038
  131   HG23  THR  21          2HG2      THR  21  -1.833  -1.176  -0.813
  132    HA   PRO  22           HA       PRO  22  -6.145  -3.490  -3.905
  133    HB2  PRO  22           1HB      PRO  22  -8.569  -4.278  -2.980
  134    HB3  PRO  22           2HB      PRO  22  -7.267  -5.441  -3.369
  135    HG2  PRO  22           1HG      PRO  22  -7.999  -4.300  -0.647
  136    HG3  PRO  22           2HG      PRO  22  -7.750  -6.021  -1.088
  137    HD2  PRO  22           1HD      PRO  22  -5.793  -4.490   0.047
  138    HD3  PRO  22           2HD      PRO  22  -5.415  -5.761  -1.140
  139    H    ASP  23           H        ASP  23  -6.123  -1.808  -0.906
  140    HA   ASP  23           HA       ASP  23  -8.292   0.069  -1.763
  141    HB2  ASP  23           1HB      ASP  23  -8.396  -1.303   0.478
  142    HB3  ASP  23           2HB      ASP  23  -7.177  -0.183   1.005
  143    H    LYS  24           H        LYS  24  -7.823   2.145  -2.246
  144    HA   LYS  24           HA       LYS  24  -5.119   3.115  -2.286
  145    HB2  LYS  24           1HB      LYS  24  -6.007   5.164  -3.132
  146    HB3  LYS  24           2HB      LYS  24  -6.836   3.815  -3.903
  147    HG2  LYS  24           1HG      LYS  24  -8.802   4.171  -2.407
  148    HG3  LYS  24           2HG      LYS  24  -7.960   5.527  -1.630
  149    HD2  LYS  24           1HD      LYS  24  -7.793   6.677  -3.821
  150    HD3  LYS  24           2HD      LYS  24  -8.728   5.380  -4.580
  151    HE2  LYS  24           1HE      LYS  24  -9.686   7.164  -2.294
  152    HE3  LYS  24           2HE      LYS  24 -10.037   7.451  -3.998
  153    HZ1  LYS  24           3HZ      LYS  24 -10.897   5.038  -2.496
  154    HZ2  LYS  24           1HZ      LYS  24 -11.234   5.344  -4.070
  155    HZ3  LYS  24           2HZ      LYS  24 -11.855   6.294  -2.896
  156    H    TYR  25           H        TYR  25  -7.618   3.445   0.204
  157    HA   TYR  25           HA       TYR  25  -6.187   5.606   1.582
  158    HB2  TYR  25           1HB      TYR  25  -8.440   3.850   2.601
  159    HB3  TYR  25           2HB      TYR  25  -7.879   5.361   3.291
  160    HD1  TYR  25           1HD      TYR  25  -7.854   7.428   1.491
  161    HD2  TYR  25           2HD      TYR  25 -10.403   3.950   1.329
  162    HE1  TYR  25           1HE      TYR  25  -9.531   8.718   0.185
  163    HE2  TYR  25           2HE      TYR  25 -12.089   5.249   0.035
  164    HH   TYR  25           HH       TYR  25 -11.595   8.692  -0.829
  165    H    LYS  26           H        LYS  26  -6.411   2.053   1.843
  166    HA   LYS  26           HA       LYS  26  -4.703   1.798   4.184
  167    HB2  LYS  26           1HB      LYS  26  -5.160  -0.146   1.886
  168    HB3  LYS  26           2HB      LYS  26  -4.338  -0.518   3.394
  169    HG2  LYS  26           1HG      LYS  26  -6.413  -0.010   4.672
  170    HG3  LYS  26           2HG      LYS  26  -7.271   0.296   3.170
  171    HD2  LYS  26           1HD      LYS  26  -6.764  -2.066   2.447
  172    HD3  LYS  26           2HD      LYS  26  -5.961  -2.336   4.006
  173    HE2  LYS  26           1HE      LYS  26  -8.084  -1.772   5.183
  174    HE3  LYS  26           2HE      LYS  26  -8.883  -1.532   3.625
  175    HZ1  LYS  26           3HZ      LYS  26  -7.708  -4.098   4.561
  176    HZ2  LYS  26           1HZ      LYS  26  -8.446  -3.882   3.119
  177    HZ3  LYS  26           2HZ      LYS  26  -9.299  -3.758   4.502
  178    H    LEU  27           H        LEU  27  -4.012   1.939   0.663
  179    HA   LEU  27           HA       LEU  27  -1.186   1.712   0.935
  180    HB2  LEU  27           1HB      LEU  27  -2.422   1.459  -1.200
  181    HB3  LEU  27           2HB      LEU  27  -2.786   3.184  -1.179
  182    HG   LEU  27           HG       LEU  27  -0.388   3.734  -1.374
  183   HD11  LEU  27          1HD1      LEU  27   0.676   1.826  -0.259
  184   HD12  LEU  27          2HD1      LEU  27   1.240   1.932  -1.923
  185   HD13  LEU  27          3HD1      LEU  27   0.027   0.710  -1.490
  186   HD21  LEU  27          3HD2      LEU  27  -1.277   1.680  -3.425
  187   HD22  LEU  27          1HD2      LEU  27  -0.060   2.951  -3.666
  188   HD23  LEU  27          2HD2      LEU  27  -1.758   3.393  -3.409
  189    H    GLN  28           H        GLN  28  -3.207   4.732   0.814
  190    HA   GLN  28           HA       GLN  28  -1.086   6.579   1.211
  191    HB2  GLN  28           1HB      GLN  28  -4.009   6.597   2.046
  192    HB3  GLN  28           2HB      GLN  28  -2.956   7.970   2.345
  193    HG2  GLN  28           1HG      GLN  28  -3.379   6.793  -0.437
  194    HG3  GLN  28           2HG      GLN  28  -4.379   8.061   0.256
  195   HE21  GLN  28          1HE2      GLN  28  -3.221   8.739  -2.075
  196   HE22  GLN  28          2HE2      GLN  28  -1.845   9.798  -1.800
  197    H    ALA  29           H        ALA  29  -3.037   4.873   3.699
  198    HA   ALA  29           HA       ALA  29  -1.640   5.869   5.968
  199    HB1  ALA  29           1HB      ALA  29  -2.634   3.948   7.133
  200    HB2  ALA  29           2HB      ALA  29  -3.817   4.711   6.053
  201    HB3  ALA  29           3HB      ALA  29  -3.035   3.187   5.581
  202    H    HIS  30           H        HIS  30  -0.683   3.284   3.700
  203    HA   HIS  30           HA       HIS  30   1.625   2.484   5.339
  204    HB2  HIS  30           1HB      HIS  30   0.562   0.818   3.966
  205    HB3  HIS  30           2HB      HIS  30   0.762   1.794   2.511
  206    HD1  HIS  30           1HD      HIS  30   2.926  -0.237   4.979
  207    HD2  HIS  30           2HD      HIS  30   3.106   1.811   1.316
  208    HE1  HIS  30           1HE      HIS  30   5.236  -0.711   4.040
  209    H    LEU  31           H        LEU  31   1.138   4.730   2.530
  210    HA   LEU  31           HA       LEU  31   3.907   5.249   2.077
  211    HB2  LEU  31           1HB      LEU  31   1.639   7.259   1.896
  212    HB3  LEU  31           2HB      LEU  31   3.235   7.423   1.184
  213    HG   LEU  31           HG       LEU  31   1.041   5.510   0.341
  214   HD11  LEU  31          1HD1      LEU  31   1.147   6.725  -1.759
  215   HD12  LEU  31          2HD1      LEU  31   2.468   7.739  -1.136
  216   HD13  LEU  31          3HD1      LEU  31   0.846   7.841  -0.417
  217   HD21  LEU  31          3HD2      LEU  31   3.884   5.668  -0.727
  218   HD22  LEU  31          1HD2      LEU  31   2.534   4.764  -1.462
  219   HD23  LEU  31          2HD2      LEU  31   3.151   4.281   0.117
  220    H    LYS  32           H        LYS  32   1.749   6.554   4.558
  221    HA   LYS  32           HA       LYS  32   3.545   8.445   5.734
  222    HB2  LYS  32           1HB      LYS  32   1.202   6.889   6.890
  223    HB3  LYS  32           2HB      LYS  32   2.053   8.176   7.753
  224    HG2  LYS  32           1HG      LYS  32   1.496   9.798   5.992
  225    HG3  LYS  32           2HG      LYS  32   0.654   8.544   5.068
  226    HD2  LYS  32           1HD      LYS  32  -0.943   8.225   6.946
  227    HD3  LYS  32           2HD      LYS  32  -0.106   9.500   7.862
  228    HE2  LYS  32           1HE      LYS  32  -0.596  11.117   6.028
  229    HE3  LYS  32           2HE      LYS  32  -1.455   9.848   5.145
  230    HZ1  LYS  32           3HZ      LYS  32  -3.032   9.718   7.007
  231    HZ2  LYS  32           1HZ      LYS  32  -2.989  11.238   6.417
  232    HZ3  LYS  32           2HZ      LYS  32  -2.235  10.891   7.820
  233    H    VAL  33           H        VAL  33   3.876   5.031   5.744
  234    HA   VAL  33           HA       VAL  33   5.456   4.911   8.207
  235    HB   VAL  33           HB       VAL  33   4.129   3.012   6.808
  236   HG11  VAL  33          1HG1      VAL  33   5.609   1.430   5.771
  237   HG12  VAL  33          2HG1      VAL  33   5.820   2.968   4.927
  238   HG13  VAL  33          3HG1      VAL  33   7.037   2.424   6.099
  239   HG21  VAL  33          3HG2      VAL  33   6.553   2.529   8.553
  240   HG22  VAL  33          1HG2      VAL  33   4.885   2.834   9.101
  241   HG23  VAL  33          2HG2      VAL  33   5.254   1.365   8.183
  242    H    HIS  34           H        HIS  34   6.051   5.763   4.891
  243    HA   HIS  34           HA       HIS  34   8.989   5.474   5.131
  244    HB2  HIS  34           1HB      HIS  34   7.204   6.240   2.790
  245    HB3  HIS  34           2HB      HIS  34   8.946   6.016   2.719
  246    HD1  HIS  34           1HD      HIS  34   9.637   3.340   3.757
  247    HD2  HIS  34           2HD      HIS  34   5.962   4.153   1.882
  248    HE1  HIS  34           1HE      HIS  34   8.791   1.105   2.911
  249    H    THR  35           H        THR  35   6.619   8.020   5.428
  250    HA   THR  35           HA       THR  35   8.432  10.193   4.719
  251    HB   THR  35           HB       THR  35   6.565  11.655   5.502
  252    HG1  THR  35           1HG      THR  35   5.552  10.434   7.020
  253   HG21  THR  35          3HG2      THR  35   4.991  11.061   3.739
  254   HG22  THR  35          1HG2      THR  35   5.702   9.442   3.594
  255   HG23  THR  35          2HG2      THR  35   6.656  10.876   3.157
  256    H    ALA  36           H        ALA  36   8.341   8.324   7.479
  257    HA   ALA  36           HA       ALA  36   9.582  10.471   9.136
  258    HB1  ALA  36           1HB      ALA  36   7.713   8.262  10.085
  259    HB2  ALA  36           2HB      ALA  36   8.537   9.453  11.116
  260    HB3  ALA  36           3HB      ALA  36   7.308   9.987   9.953
  261    H    LEU  37           H        LEU  37  11.222   9.833  10.555
  262    HA   LEU  37           HA       LEU  37  12.759   7.444   9.668
  263    HB2  LEU  37           1HB      LEU  37  13.581  10.019  11.073
  264    HB3  LEU  37           2HB      LEU  37  14.658   8.675  10.781
  265    HG   LEU  37           HG       LEU  37  15.144  10.311   9.190
  266   HD11  LEU  37          1HD1      LEU  37  14.923   9.148   7.088
  267   HD12  LEU  37          2HD1      LEU  37  13.558   8.192   7.696
  268   HD13  LEU  37          3HD1      LEU  37  15.186   7.963   8.381
  269   HD21  LEU  37          3HD2      LEU  37  12.325  10.287   8.074
  270   HD22  LEU  37          1HD2      LEU  37  13.693  11.293   7.584
  271   HD23  LEU  37          2HD2      LEU  37  12.962  11.532   9.180
  272    H    ASP  38           H        ASP  38  10.735   8.162  12.207
  273    HA   ASP  38           HA       ASP  38  12.207   7.016  14.437
  274    HB2  ASP  38           1HB      ASP  38  10.507   8.756  14.733
  275    HB3  ASP  38           2HB      ASP  38   9.264   7.686  14.095
  Start of MODEL    6
    1    H1   GLY   1           1H       GLY   1 -11.298 -18.789  -8.249
    2    H2   GLY   1           2H       GLY   1 -10.233 -18.024  -7.264
    3    H3   GLY   1           3H       GLY   1 -10.125 -17.839  -8.886
    4    HA2  GLY   1           1HA      GLY   1 -12.240 -16.697  -8.968
    5    HA3  GLY   1           2HA      GLY   1 -12.370 -16.909  -7.212
    6    H    SER   2           H        SER   2 -12.571 -14.402  -8.259
    7    HA   SER   2           HA       SER   2 -10.272 -13.017  -7.039
    8    HB2  SER   2           1HB      SER   2  -9.716 -13.237  -9.475
    9    HB3  SER   2           2HB      SER   2 -11.188 -12.322  -9.857
   10    HG   SER   2           HG       SER   2  -9.263 -11.020  -9.715
   11    H    SER   3           H        SER   3 -10.746 -10.851  -6.445
   12    HA   SER   3           HA       SER   3 -13.480 -10.546  -5.535
   13    HB2  SER   3           1HB      SER   3 -11.079  -8.756  -5.051
   14    HB3  SER   3           2HB      SER   3 -12.606  -8.754  -4.148
   15    HG   SER   3           HG       SER   3 -10.978  -9.975  -3.084
   16    H    GLY   4           H        GLY   4 -13.433 -10.211  -8.356
   17    HA2  GLY   4           1HA      GLY   4 -14.243  -8.828 -10.037
   18    HA3  GLY   4           2HA      GLY   4 -14.983  -7.869  -8.755
   19    H    SER   5           H        SER   5 -14.542  -5.794  -9.457
   20    HA   SER   5           HA       SER   5 -12.137  -4.810 -10.585
   21    HB2  SER   5           1HB      SER   5 -14.112  -3.320  -8.812
   22    HB3  SER   5           2HB      SER   5 -12.962  -2.601  -9.956
   23    HG   SER   5           HG       SER   5 -15.082  -2.804 -10.845
   24    H    SER   6           H        SER   6 -12.969  -5.354  -7.175
   25    HA   SER   6           HA       SER   6 -10.597  -4.019  -6.117
   26    HB2  SER   6           1HB      SER   6 -12.534  -5.917  -4.752
   27    HB3  SER   6           2HB      SER   6 -11.330  -4.884  -3.964
   28    HG   SER   6           HG       SER   6 -13.431  -3.936  -3.971
   29    H    GLY   7           H        GLY   7 -10.884  -6.913  -7.792
   30    HA2  GLY   7           1HA      GLY   7  -8.934  -8.542  -6.362
   31    HA3  GLY   7           2HA      GLY   7  -9.528  -8.753  -8.014
   32    H    ILE   8           H        ILE   8  -8.626  -5.698  -8.275
   33    HA   ILE   8           HA       ILE   8  -5.908  -6.274  -9.267
   34    HB   ILE   8           HB       ILE   8  -7.550  -3.719  -9.379
   35   HG12  ILE   8          1HG1      ILE   8  -7.065  -5.849 -11.519
   36   HG13  ILE   8          2HG1      ILE   8  -8.583  -5.596 -10.661
   37   HG21  ILE   8          1HG2      ILE   8  -5.094  -3.313  -9.519
   38   HG22  ILE   8          2HG2      ILE   8  -4.979  -4.493 -10.843
   39   HG23  ILE   8          3HG2      ILE   8  -5.881  -2.975 -11.046
   40   HD11  ILE   8          3HD1      ILE   8  -8.717  -3.283 -11.616
   41   HD12  ILE   8          1HD1      ILE   8  -7.312  -3.681 -12.639
   42   HD13  ILE   8          2HD1      ILE   8  -8.814  -4.597 -12.804
   43    H    LEU   9           H        LEU   9  -4.143  -5.960  -8.086
   44    HA   LEU   9           HA       LEU   9  -4.253  -4.615  -5.474
   45    HB2  LEU   9           1HB      LEU   9  -2.187  -6.264  -6.964
   46    HB3  LEU   9           2HB      LEU   9  -1.743  -5.339  -5.550
   47    HG   LEU   9           HG       LEU   9  -2.121  -7.692  -5.064
   48   HD11  LEU   9          1HD1      LEU   9  -4.186  -5.944  -3.681
   49   HD12  LEU   9          2HD1      LEU   9  -2.442  -5.966  -3.308
   50   HD13  LEU   9          3HD1      LEU   9  -3.426  -7.411  -3.041
   51   HD21  LEU   9          3HD2      LEU   9  -4.301  -8.707  -4.967
   52   HD22  LEU   9          1HD2      LEU   9  -3.994  -8.162  -6.626
   53   HD23  LEU   9          2HD2      LEU   9  -5.081  -7.232  -5.564
   54    H    LEU  10           H        LEU  10  -3.334  -2.788  -4.890
   55    HA   LEU  10           HA       LEU  10  -1.913  -1.047  -6.848
   56    HB2  LEU  10           1HB      LEU  10  -2.963  -0.366  -4.076
   57    HB3  LEU  10           2HB      LEU  10  -2.359   0.751  -5.296
   58    HG   LEU  10           HG       LEU  10  -4.942  -0.869  -5.502
   59   HD11  LEU  10          1HD1      LEU  10  -5.009   0.898  -3.798
   60   HD12  LEU  10          2HD1      LEU  10  -6.047   1.287  -5.179
   61   HD13  LEU  10          3HD1      LEU  10  -4.472   2.095  -4.999
   62   HD21  LEU  10          3HD2      LEU  10  -3.808   1.306  -7.320
   63   HD22  LEU  10          1HD2      LEU  10  -5.431   0.593  -7.442
   64   HD23  LEU  10          2HD2      LEU  10  -4.008  -0.411  -7.739
   65    H    LYS  11           H        LYS  11   0.175  -0.245  -6.257
   66    HA   LYS  11           HA       LYS  11   1.613  -1.854  -4.165
   67    HB2  LYS  11           1HB      LYS  11   2.551  -1.159  -6.972
   68    HB3  LYS  11           2HB      LYS  11   3.522  -1.954  -5.725
   69    HG2  LYS  11           1HG      LYS  11   1.840  -3.817  -5.647
   70    HG3  LYS  11           2HG      LYS  11   0.989  -3.081  -7.008
   71    HD2  LYS  11           1HD      LYS  11   3.880  -4.051  -7.044
   72    HD3  LYS  11           2HD      LYS  11   2.486  -4.936  -7.680
   73    HE2  LYS  11           1HE      LYS  11   2.039  -3.078  -9.281
   74    HE3  LYS  11           2HE      LYS  11   3.463  -2.221  -8.676
   75    HZ1  LYS  11           3HZ      LYS  11   3.513  -4.887  -9.989
   76    HZ2  LYS  11           1HZ      LYS  11   4.828  -4.098  -9.427
   77    HZ3  LYS  11           2HZ      LYS  11   3.981  -3.486 -10.680
   78    H    CYS  12           H        CYS  12   3.287  -0.971  -3.086
   79    HA   CYS  12           HA       CYS  12   3.323   1.862  -2.670
   80    HB2  CYS  12           1HB      CYS  12   3.702   0.065  -1.012
   81    HB3  CYS  12           2HB      CYS  12   5.269  -0.273  -1.774
   82    HA   PRO  13           HA       PRO  13   6.196   2.658  -6.082
   83    HB2  PRO  13           1HB      PRO  13   6.486   5.393  -4.887
   84    HB3  PRO  13           2HB      PRO  13   6.017   4.929  -6.549
   85    HG2  PRO  13           1HG      PRO  13   4.176   5.837  -4.771
   86    HG3  PRO  13           2HG      PRO  13   3.784   4.466  -5.870
   87    HD2  PRO  13           1HD      PRO  13   4.707   4.357  -2.984
   88    HD3  PRO  13           2HD      PRO  13   3.318   3.538  -3.770
   89    H    THR  14           H        THR  14   7.069   3.023  -2.753
   90    HA   THR  14           HA       THR  14   9.723   4.076  -3.035
   91    HB   THR  14           HB       THR  14   8.492   2.501  -0.749
   92    HG1  THR  14           1HG      THR  14   7.441   4.415  -1.076
   93   HG21  THR  14          3HG2      THR  14  10.227   3.676   0.636
   94   HG22  THR  14          1HG2      THR  14  11.033   4.186  -0.862
   95   HG23  THR  14          2HG2      THR  14  10.908   2.458  -0.445
   96    H    ASP  15           H        ASP  15  11.627   3.179  -3.549
   97    HA   ASP  15           HA       ASP  15  11.687   0.665  -4.819
   98    HB2  ASP  15           1HB      ASP  15  13.083   2.629  -5.372
   99    HB3  ASP  15           2HB      ASP  15  13.986   2.416  -3.871
  100    H    GLY  16           H        GLY  16  12.684   1.480  -1.517
  101    HA2  GLY  16           1HA      GLY  16  13.895  -1.124  -0.941
  102    HA3  GLY  16           2HA      GLY  16  13.584   0.187   0.195
  103    H    CYS  17           H        CYS  17  10.674  -0.346  -1.347
  104    HA   CYS  17           HA       CYS  17   9.601  -1.797   0.997
  105    HB2  CYS  17           1HB      CYS  17   8.917   0.525   0.176
  106    HB3  CYS  17           2HB      CYS  17   8.070  -0.311  -1.136
  107    H    ASP  18           H        ASP  18   7.637  -3.051   0.541
  108    HA   ASP  18           HA       ASP  18   7.656  -4.771  -1.882
  109    HB2  ASP  18           1HB      ASP  18   9.198  -5.773  -0.141
  110    HB3  ASP  18           2HB      ASP  18   7.809  -5.922   0.931
  111    H    TYR  19           H        TYR  19   5.871  -2.831  -0.002
  112    HA   TYR  19           HA       TYR  19   3.628  -4.487   0.730
  113    HB2  TYR  19           1HB      TYR  19   4.320  -2.588   2.043
  114    HB3  TYR  19           2HB      TYR  19   4.083  -1.500   0.689
  115    HD1  TYR  19           2HD      TYR  19   2.400  -3.528   3.290
  116    HD2  TYR  19           1HD      TYR  19   1.835  -0.745   0.040
  117    HE1  TYR  19           2HE      TYR  19   0.064  -3.114   4.047
  118    HE2  TYR  19           1HE      TYR  19  -0.489  -0.328   0.808
  119    HH   TYR  19           HH       TYR  19  -1.875  -1.960   3.681
  120    H    SER  20           H        SER  20   1.658  -4.742  -0.113
  121    HA   SER  20           HA       SER  20   0.662  -3.061  -2.271
  122    HB2  SER  20           1HB      SER  20  -0.030  -4.916  -3.721
  123    HB3  SER  20           2HB      SER  20   1.732  -4.829  -3.572
  124    HG   SER  20           HG       SER  20   1.670  -6.557  -2.123
  125    H    THR  21           H        THR  21  -1.616  -3.174  -2.572
  126    HA   THR  21           HA       THR  21  -3.292  -4.706  -0.714
  127    HB   THR  21           HB       THR  21  -2.562  -2.975   0.786
  128    HG1  THR  21           1HG      THR  21  -4.484  -2.321   1.421
  129   HG21  THR  21          3HG2      THR  21  -2.978  -0.598   0.427
  130   HG22  THR  21          1HG2      THR  21  -3.630  -0.910  -1.193
  131   HG23  THR  21          2HG2      THR  21  -1.912  -1.196  -0.853
  132    HA   PRO  22           HA       PRO  22  -6.175  -3.646  -4.022
  133    HB2  PRO  22           1HB      PRO  22  -8.542  -4.510  -3.012
  134    HB3  PRO  22           2HB      PRO  22  -7.227  -5.638  -3.472
  135    HG2  PRO  22           1HG      PRO  22  -7.863  -4.561  -0.704
  136    HG3  PRO  22           2HG      PRO  22  -7.621  -6.272  -1.194
  137    HD2  PRO  22           1HD      PRO  22  -5.618  -4.775  -0.122
  138    HD3  PRO  22           2HD      PRO  22  -5.286  -5.974  -1.394
  139    H    ASP  23           H        ASP  23  -6.070  -2.055  -0.975
  140    HA   ASP  23           HA       ASP  23  -8.351  -0.235  -1.627
  141    HB2  ASP  23           1HB      ASP  23  -8.270  -1.664   0.532
  142    HB3  ASP  23           2HB      ASP  23  -6.971  -0.630   1.012
  143    H    LYS  24           H        LYS  24  -7.894   1.751  -2.344
  144    HA   LYS  24           HA       LYS  24  -5.280   2.929  -2.390
  145    HB2  LYS  24           1HB      LYS  24  -6.341   4.865  -3.323
  146    HB3  LYS  24           2HB      LYS  24  -7.082   3.423  -4.011
  147    HG2  LYS  24           1HG      LYS  24  -9.017   3.709  -2.401
  148    HG3  LYS  24           2HG      LYS  24  -8.245   5.178  -1.794
  149    HD2  LYS  24           1HD      LYS  24  -9.948   5.837  -3.319
  150    HD3  LYS  24           2HD      LYS  24  -8.386   6.182  -4.074
  151    HE2  LYS  24           1HE      LYS  24  -8.581   4.095  -5.418
  152    HE3  LYS  24           2HE      LYS  24 -10.116   3.722  -4.620
  153    HZ1  LYS  24           3HZ      LYS  24 -11.036   5.763  -5.591
  154    HZ2  LYS  24           1HZ      LYS  24 -10.470   4.790  -6.773
  155    HZ3  LYS  24           2HZ      LYS  24  -9.617   6.106  -6.326
  156    H    TYR  25           H        TYR  25  -7.729   3.032   0.126
  157    HA   TYR  25           HA       TYR  25  -6.459   5.342   1.463
  158    HB2  TYR  25           1HB      TYR  25  -8.755   3.565   2.336
  159    HB3  TYR  25           2HB      TYR  25  -8.211   5.030   3.139
  160    HD1  TYR  25           2HD      TYR  25  -8.259   7.253   1.841
  161    HD2  TYR  25           1HD      TYR  25 -10.320   3.700   0.516
  162    HE1  TYR  25           2HE      TYR  25  -9.681   8.638   0.338
  163    HE2  TYR  25           1HE      TYR  25 -11.746   5.089  -0.982
  164    HH   TYR  25           HH       TYR  25 -11.373   8.649  -1.208
  165    H    LYS  26           H        LYS  26  -6.460   1.801   1.758
  166    HA   LYS  26           HA       LYS  26  -4.847   1.745   4.199
  167    HB2  LYS  26           1HB      LYS  26  -5.125  -0.364   2.031
  168    HB3  LYS  26           2HB      LYS  26  -4.374  -0.588   3.599
  169    HG2  LYS  26           1HG      LYS  26  -6.534  -0.039   4.728
  170    HG3  LYS  26           2HG      LYS  26  -7.317   0.068   3.169
  171    HD2  LYS  26           1HD      LYS  26  -6.712  -2.346   2.738
  172    HD3  LYS  26           2HD      LYS  26  -5.916  -2.385   4.315
  173    HE2  LYS  26           1HE      LYS  26  -7.984  -3.332   4.791
  174    HE3  LYS  26           2HE      LYS  26  -8.166  -1.664   5.331
  175    HZ1  LYS  26           3HZ      LYS  26  -9.204  -2.819   2.797
  176    HZ2  LYS  26           1HZ      LYS  26  -9.308  -1.226   3.139
  177    HZ3  LYS  26           2HZ      LYS  26 -10.093  -2.319   4.065
  178    H    LEU  27           H        LEU  27  -4.097   1.819   0.702
  179    HA   LEU  27           HA       LEU  27  -1.267   1.741   1.004
  180    HB2  LEU  27           1HB      LEU  27  -2.471   1.407  -1.135
  181    HB3  LEU  27           2HB      LEU  27  -2.941   3.106  -1.130
  182    HG   LEU  27           HG       LEU  27  -0.590   3.797  -1.351
  183   HD11  LEU  27          1HD1      LEU  27   1.171   2.118  -1.852
  184   HD12  LEU  27          2HD1      LEU  27   0.044   0.813  -1.423
  185   HD13  LEU  27          3HD1      LEU  27   0.595   1.980  -0.194
  186   HD21  LEU  27          3HD2      LEU  27  -0.210   2.980  -3.628
  187   HD22  LEU  27          1HD2      LEU  27  -1.932   3.315  -3.377
  188   HD23  LEU  27          2HD2      LEU  27  -1.341   1.636  -3.354
  189    H    GLN  28           H        GLN  28  -3.440   4.635   0.849
  190    HA   GLN  28           HA       GLN  28  -1.452   6.615   1.310
  191    HB2  GLN  28           1HB      GLN  28  -4.408   6.393   1.997
  192    HB3  GLN  28           2HB      GLN  28  -3.466   7.825   2.441
  193    HG2  GLN  28           1HG      GLN  28  -2.854   8.264   0.204
  194    HG3  GLN  28           2HG      GLN  28  -3.513   6.751  -0.406
  195   HE21  GLN  28          1HE2      GLN  28  -5.792   6.493  -0.594
  196   HE22  GLN  28          2HE2      GLN  28  -6.881   7.888  -0.548
  197    H    ALA  29           H        ALA  29  -3.344   4.790   3.684
  198    HA   ALA  29           HA       ALA  29  -2.056   5.784   6.023
  199    HB1  ALA  29           1HB      ALA  29  -3.430   3.102   5.591
  200    HB2  ALA  29           2HB      ALA  29  -3.111   3.883   7.151
  201    HB3  ALA  29           3HB      ALA  29  -4.237   4.632   6.005
  202    H    HIS  30           H        HIS  30  -0.818   3.423   3.724
  203    HA   HIS  30           HA       HIS  30   1.387   2.585   5.551
  204    HB2  HIS  30           1HB      HIS  30   0.451   0.852   4.174
  205    HB3  HIS  30           2HB      HIS  30   0.559   1.840   2.720
  206    HD1  HIS  30           1HD      HIS  30   2.888  -0.098   5.105
  207    HD2  HIS  30           2HD      HIS  30   2.872   1.979   1.453
  208    HE1  HIS  30           1HE      HIS  30   5.180  -0.477   4.087
  209    H    LEU  31           H        LEU  31   0.967   4.668   2.621
  210    HA   LEU  31           HA       LEU  31   3.706   5.039   2.091
  211    HB2  LEU  31           1HB      LEU  31   1.314   6.851   1.670
  212    HB3  LEU  31           2HB      LEU  31   2.906   7.248   1.038
  213    HG   LEU  31           HG       LEU  31   1.467   4.662   0.313
  214   HD11  LEU  31          1HD1      LEU  31   1.574   7.303  -1.201
  215   HD12  LEU  31          2HD1      LEU  31   0.132   6.589  -0.446
  216   HD13  LEU  31          3HD1      LEU  31   0.902   5.776  -1.815
  217   HD21  LEU  31          3HD2      LEU  31   3.785   6.111  -1.013
  218   HD22  LEU  31          1HD2      LEU  31   2.995   4.610  -1.558
  219   HD23  LEU  31          2HD2      LEU  31   3.906   4.618  -0.055
  220    H    LYS  32           H        LYS  32   1.806   6.629   4.587
  221    HA   LYS  32           HA       LYS  32   3.638   8.694   5.320
  222    HB2  LYS  32           1HB      LYS  32   2.312   8.977   7.210
  223    HB3  LYS  32           2HB      LYS  32   1.196   8.329   6.011
  224    HG2  LYS  32           1HG      LYS  32   1.646   6.016   7.084
  225    HG3  LYS  32           2HG      LYS  32   2.462   6.904   8.385
  226    HD2  LYS  32           1HD      LYS  32   0.284   8.291   8.565
  227    HD3  LYS  32           2HD      LYS  32  -0.459   7.040   7.567
  228    HE2  LYS  32           1HE      LYS  32   0.768   6.763  10.347
  229    HE3  LYS  32           2HE      LYS  32  -0.927   6.587   9.895
  230    HZ1  LYS  32           3HZ      LYS  32   1.286   4.726   9.245
  231    HZ2  LYS  32           1HZ      LYS  32  -0.162   4.620   8.511
  232    HZ3  LYS  32           2HZ      LYS  32  -0.042   4.411  10.137
  233    H    VAL  33           H        VAL  33   3.953   5.293   5.759
  234    HA   VAL  33           HA       VAL  33   5.564   5.293   8.141
  235    HB   VAL  33           HB       VAL  33   4.176   3.414   6.884
  236   HG11  VAL  33          1HG1      VAL  33   5.493   1.748   5.757
  237   HG12  VAL  33          2HG1      VAL  33   5.720   3.274   4.894
  238   HG13  VAL  33          3HG1      VAL  33   6.991   2.667   5.979
  239   HG21  VAL  33          3HG2      VAL  33   5.196   1.719   8.180
  240   HG22  VAL  33          1HG2      VAL  33   6.639   2.732   8.473
  241   HG23  VAL  33          2HG2      VAL  33   5.043   3.209   9.117
  242    H    HIS  34           H        HIS  34   6.351   5.910   4.806
  243    HA   HIS  34           HA       HIS  34   9.175   5.226   5.070
  244    HB2  HIS  34           1HB      HIS  34   7.505   6.359   2.799
  245    HB3  HIS  34           2HB      HIS  34   9.222   5.985   2.669
  246    HD1  HIS  34           1HD      HIS  34   9.748   3.257   3.553
  247    HD2  HIS  34           2HD      HIS  34   6.013   4.364   1.959
  248    HE1  HIS  34           1HE      HIS  34   8.667   1.098   2.787
  249    H    THR  35           H        THR  35   7.479   8.100   5.845
  250    HA   THR  35           HA       THR  35   9.838   9.841   5.387
  251    HB   THR  35           HB       THR  35   8.425  11.649   6.259
  252    HG1  THR  35           1HG      THR  35   6.257  11.223   6.658
  253   HG21  THR  35          3HG2      THR  35   8.390  11.097   3.829
  254   HG22  THR  35          1HG2      THR  35   6.859  11.778   4.401
  255   HG23  THR  35          2HG2      THR  35   6.993  10.031   4.103
  256    H    ALA  36           H        ALA  36   8.861   7.713   7.820
  257    HA   ALA  36           HA       ALA  36   9.796   9.194  10.132
  258    HB1  ALA  36           1HB      ALA  36   9.299   6.216   9.723
  259    HB2  ALA  36           2HB      ALA  36   9.515   7.039  11.281
  260    HB3  ALA  36           3HB      ALA  36   8.102   7.408  10.277
  261    H    LEU  37           H        LEU  37  11.664   8.780  11.390
  262    HA   LEU  37           HA       LEU  37  14.088   8.442   9.838
  263    HB2  LEU  37           1HB      LEU  37  13.770  10.129  11.625
  264    HB3  LEU  37           2HB      LEU  37  13.613   8.840  12.819
  265    HG   LEU  37           HG       LEU  37  15.967   8.163  12.417
  266   HD11  LEU  37          1HD1      LEU  37  16.044  10.578  10.548
  267   HD12  LEU  37          2HD1      LEU  37  16.288   8.877  10.083
  268   HD13  LEU  37          3HD1      LEU  37  17.464   9.678  11.126
  269   HD21  LEU  37          3HD2      LEU  37  15.624  11.133  12.995
  270   HD22  LEU  37          1HD2      LEU  37  17.011  10.120  13.459
  271   HD23  LEU  37          2HD2      LEU  37  15.417   9.809  14.165
  272    H    ASP  38           H        ASP  38  12.296   6.360  12.038
  273    HA   ASP  38           HA       ASP  38  14.037   4.045  11.451
  274    HB2  ASP  38           1HB      ASP  38  15.011   5.041  13.482
  275    HB3  ASP  38           2HB      ASP  38  13.441   5.012  14.276
  Start of MODEL    7
    1    H1   GLY   1           1H       GLY   1 -13.975  -8.147 -12.383
    2    H2   GLY   1           2H       GLY   1 -14.770  -8.997 -11.237
    3    H3   GLY   1           3H       GLY   1 -15.554  -8.548 -12.607
    4    HA2  GLY   1           1HA      GLY   1 -13.261 -10.410 -12.512
    5    HA3  GLY   1           2HA      GLY   1 -14.957 -10.915 -12.645
    6    H    SER   2           H        SER   2 -15.275 -11.630 -14.705
    7    HA   SER   2           HA       SER   2 -14.055 -10.501 -17.079
    8    HB2  SER   2           1HB      SER   2 -15.794 -11.854 -18.250
    9    HB3  SER   2           2HB      SER   2 -14.833 -12.779 -17.084
   10    HG   SER   2           HG       SER   2 -17.089 -13.215 -16.899
   11    H    SER   3           H        SER   3 -16.940  -9.799 -15.238
   12    HA   SER   3           HA       SER   3 -17.407  -7.300 -16.810
   13    HB2  SER   3           1HB      SER   3 -19.509  -9.035 -15.446
   14    HB3  SER   3           2HB      SER   3 -19.793  -7.443 -16.167
   15    HG   SER   3           HG       SER   3 -18.900  -9.793 -17.517
   16    H    GLY   4           H        GLY   4 -18.227  -5.520 -15.496
   17    HA2  GLY   4           1HA      GLY   4 -18.280  -4.138 -13.645
   18    HA3  GLY   4           2HA      GLY   4 -18.343  -5.574 -12.632
   19    H    SER   5           H        SER   5 -17.056  -4.290 -11.151
   20    HA   SER   5           HA       SER   5 -14.275  -3.630 -11.762
   21    HB2  SER   5           1HB      SER   5 -14.202  -2.969  -9.377
   22    HB3  SER   5           2HB      SER   5 -15.514  -2.199 -10.281
   23    HG   SER   5           HG       SER   5 -16.215  -3.000  -8.240
   24    H    SER   6           H        SER   6 -12.501  -4.385 -10.364
   25    HA   SER   6           HA       SER   6 -12.684  -7.198  -9.405
   26    HB2  SER   6           1HB      SER   6 -10.645  -6.138 -11.401
   27    HB3  SER   6           2HB      SER   6 -10.515  -7.687 -10.550
   28    HG   SER   6           HG       SER   6 -11.461  -7.815 -12.679
   29    H    GLY   7           H        GLY   7 -11.117  -7.782  -7.878
   30    HA2  GLY   7           1HA      GLY   7 -10.239  -5.662  -6.104
   31    HA3  GLY   7           2HA      GLY   7 -10.049  -7.398  -5.869
   32    H    ILE   8           H        ILE   8  -8.783  -4.991  -8.231
   33    HA   ILE   8           HA       ILE   8  -6.250  -6.327  -8.534
   34    HB   ILE   8           HB       ILE   8  -7.036  -3.509  -9.356
   35   HG12  ILE   8          1HG1      ILE   8  -8.629  -4.982 -10.390
   36   HG13  ILE   8          2HG1      ILE   8  -7.493  -4.430 -11.598
   37   HG21  ILE   8          1HG2      ILE   8  -5.256  -3.811 -11.090
   38   HG22  ILE   8          2HG2      ILE   8  -4.629  -3.772  -9.445
   39   HG23  ILE   8          3HG2      ILE   8  -4.774  -5.325 -10.297
   40   HD11  ILE   8          3HD1      ILE   8  -7.505  -7.192 -10.295
   41   HD12  ILE   8          1HD1      ILE   8  -8.021  -6.786 -11.937
   42   HD13  ILE   8          2HD1      ILE   8  -6.314  -6.635 -11.496
   43    H    LEU   9           H        LEU   9  -4.430  -6.104  -7.504
   44    HA   LEU   9           HA       LEU   9  -4.208  -4.586  -5.045
   45    HB2  LEU   9           1HB      LEU   9  -2.271  -6.309  -6.639
   46    HB3  LEU   9           2HB      LEU   9  -1.760  -5.418  -5.227
   47    HG   LEU   9           HG       LEU   9  -2.128  -7.719  -4.677
   48   HD11  LEU   9          1HD1      LEU   9  -2.573  -5.988  -2.961
   49   HD12  LEU   9          2HD1      LEU   9  -3.506  -7.471  -2.710
   50   HD13  LEU   9          3HD1      LEU   9  -4.306  -6.042  -3.386
   51   HD21  LEU   9          3HD2      LEU   9  -4.270  -8.817  -4.673
   52   HD22  LEU   9          1HD2      LEU   9  -3.917  -8.265  -6.318
   53   HD23  LEU   9          2HD2      LEU   9  -5.081  -7.376  -5.303
   54    H    LEU  10           H        LEU  10  -3.387  -2.669  -4.648
   55    HA   LEU  10           HA       LEU  10  -1.934  -1.107  -6.724
   56    HB2  LEU  10           1HB      LEU  10  -2.914  -0.228  -3.986
   57    HB3  LEU  10           2HB      LEU  10  -2.329   0.794  -5.296
   58    HG   LEU  10           HG       LEU  10  -4.938  -0.794  -5.294
   59   HD11  LEU  10          1HD1      LEU  10  -5.996   1.405  -5.133
   60   HD12  LEU  10          2HD1      LEU  10  -4.403   2.198  -5.102
   61   HD13  LEU  10          3HD1      LEU  10  -4.903   1.138  -3.765
   62   HD21  LEU  10          3HD2      LEU  10  -3.820   1.169  -7.348
   63   HD22  LEU  10          1HD2      LEU  10  -5.464   0.493  -7.348
   64   HD23  LEU  10          2HD2      LEU  10  -4.078  -0.575  -7.592
   65    H    LYS  11           H        LYS  11   0.227  -0.526  -6.377
   66    HA   LYS  11           HA       LYS  11   1.661  -2.022  -4.200
   67    HB2  LYS  11           1HB      LYS  11   2.496  -1.315  -7.038
   68    HB3  LYS  11           2HB      LYS  11   3.641  -1.757  -5.791
   69    HG2  LYS  11           1HG      LYS  11   3.272  -3.711  -7.019
   70    HG3  LYS  11           2HG      LYS  11   2.514  -3.932  -5.455
   71    HD2  LYS  11           1HD      LYS  11   1.183  -4.919  -7.232
   72    HD3  LYS  11           2HD      LYS  11   0.278  -3.610  -6.480
   73    HE2  LYS  11           1HE      LYS  11   0.878  -2.099  -8.354
   74    HE3  LYS  11           2HE      LYS  11   1.896  -3.358  -9.063
   75    HZ1  LYS  11           3HZ      LYS  11  -1.049  -3.579  -8.690
   76    HZ2  LYS  11           1HZ      LYS  11  -0.092  -4.709  -9.393
   77    HZ3  LYS  11           2HZ      LYS  11  -0.304  -3.259 -10.113
   78    H    CYS  12           H        CYS  12   3.260  -1.100  -3.026
   79    HA   CYS  12           HA       CYS  12   3.323   1.752  -2.655
   80    HB2  CYS  12           1HB      CYS  12   3.709   0.055  -0.913
   81    HB3  CYS  12           2HB      CYS  12   5.209  -0.434  -1.728
   82    HA   PRO  13           HA       PRO  13   6.285   2.413  -6.017
   83    HB2  PRO  13           1HB      PRO  13   6.444   5.112  -5.996
   84    HB3  PRO  13           2HB      PRO  13   4.910   4.275  -6.388
   85    HG2  PRO  13           1HG      PRO  13   5.766   5.417  -3.700
   86    HG3  PRO  13           2HG      PRO  13   4.229   5.703  -4.579
   87    HD2  PRO  13           1HD      PRO  13   4.506   3.787  -2.623
   88    HD3  PRO  13           2HD      PRO  13   3.406   3.578  -4.021
   89    H    THR  14           H        THR  14   7.029   2.749  -2.720
   90    HA   THR  14           HA       THR  14   9.424   4.346  -2.911
   91    HB   THR  14           HB       THR  14   8.602   2.558  -0.600
   92    HG1  THR  14           1HG      THR  14   6.919   3.884  -0.903
   93   HG21  THR  14          3HG2      THR  14  10.858   3.435  -0.310
   94   HG22  THR  14          1HG2      THR  14   9.761   4.343   0.730
   95   HG23  THR  14          2HG2      THR  14  10.327   5.069  -0.785
   96    H    ASP  15           H        ASP  15  11.576   3.808  -2.946
   97    HA   ASP  15           HA       ASP  15  12.385   1.317  -4.068
   98    HB2  ASP  15           1HB      ASP  15  13.598   3.419  -4.403
   99    HB3  ASP  15           2HB      ASP  15  14.007   3.483  -2.685
  100    H    GLY  16           H        GLY  16  13.140  -0.552  -3.233
  101    HA2  GLY  16           1HA      GLY  16  13.801  -2.165  -1.723
  102    HA3  GLY  16           2HA      GLY  16  13.998  -0.926  -0.484
  103    H    CYS  17           H        CYS  17  10.877  -0.469  -1.471
  104    HA   CYS  17           HA       CYS  17   9.706  -2.085   0.696
  105    HB2  CYS  17           1HB      CYS  17   9.276   0.376   0.243
  106    HB3  CYS  17           2HB      CYS  17   8.313  -0.147  -1.150
  107    H    ASP  18           H        ASP  18   7.827  -3.327   0.348
  108    HA   ASP  18           HA       ASP  18   7.528  -4.688  -2.293
  109    HB2  ASP  18           1HB      ASP  18   9.235  -5.858  -0.837
  110    HB3  ASP  18           2HB      ASP  18   7.958  -6.152   0.339
  111    H    TYR  19           H        TYR  19   5.934  -2.957  -0.126
  112    HA   TYR  19           HA       TYR  19   3.719  -4.622   0.661
  113    HB2  TYR  19           1HB      TYR  19   4.480  -2.745   1.984
  114    HB3  TYR  19           2HB      TYR  19   4.181  -1.631   0.669
  115    HD1  TYR  19           2HD      TYR  19   2.619  -3.760   3.272
  116    HD2  TYR  19           1HD      TYR  19   1.891  -0.838   0.176
  117    HE1  TYR  19           2HE      TYR  19   0.319  -3.393   4.153
  118    HE2  TYR  19           1HE      TYR  19  -0.391  -0.466   1.073
  119    HH   TYR  19           HH       TYR  19  -1.639  -2.229   3.932
  120    H    SER  20           H        SER  20   1.679  -4.813  -0.086
  121    HA   SER  20           HA       SER  20   0.644  -3.030  -2.131
  122    HB2  SER  20           1HB      SER  20  -0.124  -4.749  -3.665
  123    HB3  SER  20           2HB      SER  20   1.636  -4.785  -3.536
  124    HG   SER  20           HG       SER  20   1.474  -6.585  -2.180
  125    H    THR  21           H        THR  21  -1.631  -3.057  -2.360
  126    HA   THR  21           HA       THR  21  -3.311  -4.653  -0.558
  127    HB   THR  21           HB       THR  21  -2.487  -3.004   1.001
  128    HG1  THR  21           1HG      THR  21  -4.387  -2.411   1.744
  129   HG21  THR  21          3HG2      THR  21  -2.881  -0.625   0.790
  130   HG22  THR  21          1HG2      THR  21  -3.643  -0.834  -0.799
  131   HG23  THR  21          2HG2      THR  21  -1.911  -1.150  -0.594
  132    HA   PRO  22           HA       PRO  22  -6.052  -3.552  -3.904
  133    HB2  PRO  22           1HB      PRO  22  -8.481  -4.420  -3.044
  134    HB3  PRO  22           2HB      PRO  22  -7.130  -5.536  -3.414
  135    HG2  PRO  22           1HG      PRO  22  -7.939  -4.437  -0.698
  136    HG3  PRO  22           2HG      PRO  22  -7.657  -6.150  -1.152
  137    HD2  PRO  22           1HD      PRO  22  -5.729  -4.644   0.025
  138    HD3  PRO  22           2HD      PRO  22  -5.320  -5.837  -1.233
  139    H    ASP  23           H        ASP  23  -6.108  -1.804  -0.973
  140    HA   ASP  23           HA       ASP  23  -8.299   0.003  -1.923
  141    HB2  ASP  23           1HB      ASP  23  -8.510  -1.291   0.330
  142    HB3  ASP  23           2HB      ASP  23  -7.279  -0.195   0.885
  143    H    LYS  24           H        LYS  24  -7.903   2.050  -2.385
  144    HA   LYS  24           HA       LYS  24  -5.370   3.298  -2.599
  145    HB2  LYS  24           1HB      LYS  24  -7.352   4.017  -3.834
  146    HB3  LYS  24           2HB      LYS  24  -8.217   4.364  -2.335
  147    HG2  LYS  24           1HG      LYS  24  -6.607   6.224  -1.855
  148    HG3  LYS  24           2HG      LYS  24  -5.825   5.916  -3.421
  149    HD2  LYS  24           1HD      LYS  24  -7.911   6.469  -4.593
  150    HD3  LYS  24           2HD      LYS  24  -8.792   6.541  -3.057
  151    HE2  LYS  24           1HE      LYS  24  -7.209   8.402  -2.343
  152    HE3  LYS  24           2HE      LYS  24  -6.601   8.431  -4.006
  153    HZ1  LYS  24           3HZ      LYS  24  -9.415   8.925  -3.165
  154    HZ2  LYS  24           1HZ      LYS  24  -8.908   8.910  -4.725
  155    HZ3  LYS  24           2HZ      LYS  24  -8.370  10.062  -3.701
  156    H    TYR  25           H        TYR  25  -7.706   3.481   0.126
  157    HA   TYR  25           HA       TYR  25  -6.090   5.546   1.437
  158    HB2  TYR  25           1HB      TYR  25  -8.594   4.133   2.390
  159    HB3  TYR  25           2HB      TYR  25  -7.860   5.568   3.099
  160    HD1  TYR  25           1HD      TYR  25  -7.560   7.657   1.570
  161    HD2  TYR  25           2HD      TYR  25 -10.169   4.360   0.601
  162    HE1  TYR  25           1HE      TYR  25  -8.722   9.072  -0.119
  163    HE2  TYR  25           2HE      TYR  25 -11.336   5.780  -1.079
  164    HH   TYR  25           HH       TYR  25 -11.463   7.839  -2.074
  165    H    LYS  26           H        LYS  26  -6.498   2.040   1.720
  166    HA   LYS  26           HA       LYS  26  -4.869   1.748   4.123
  167    HB2  LYS  26           1HB      LYS  26  -5.303  -0.198   1.822
  168    HB3  LYS  26           2HB      LYS  26  -4.526  -0.574   3.354
  169    HG2  LYS  26           1HG      LYS  26  -6.625  -0.023   4.574
  170    HG3  LYS  26           2HG      LYS  26  -7.437   0.289   3.049
  171    HD2  LYS  26           1HD      LYS  26  -6.957  -2.084   2.351
  172    HD3  LYS  26           2HD      LYS  26  -6.196  -2.360   3.931
  173    HE2  LYS  26           1HE      LYS  26  -8.337  -1.753   5.055
  174    HE3  LYS  26           2HE      LYS  26  -9.093  -1.507   3.476
  175    HZ1  LYS  26           3HZ      LYS  26  -9.572  -3.720   4.355
  176    HZ2  LYS  26           1HZ      LYS  26  -7.986  -4.089   4.452
  177    HZ3  LYS  26           2HZ      LYS  26  -8.686  -3.866   2.991
  178    H    LEU  27           H        LEU  27  -4.096   1.939   0.620
  179    HA   LEU  27           HA       LEU  27  -1.277   1.638   0.980
  180    HB2  LEU  27           1HB      LEU  27  -2.478   1.399  -1.197
  181    HB3  LEU  27           2HB      LEU  27  -2.760   3.132  -1.212
  182    HG   LEU  27           HG       LEU  27  -0.351   3.587  -1.337
  183   HD11  LEU  27          1HD1      LEU  27  -0.017   0.552  -1.351
  184   HD12  LEU  27          2HD1      LEU  27   0.622   1.690  -0.133
  185   HD13  LEU  27          3HD1      LEU  27   1.248   1.725  -1.777
  186   HD21  LEU  27          3HD2      LEU  27  -1.669   3.205  -3.411
  187   HD22  LEU  27          1HD2      LEU  27  -1.196   1.489  -3.362
  188   HD23  LEU  27          2HD2      LEU  27   0.036   2.747  -3.591
  189    H    GLN  28           H        GLN  28  -3.271   4.668   0.824
  190    HA   GLN  28           HA       GLN  28  -1.150   6.498   1.297
  191    HB2  GLN  28           1HB      GLN  28  -4.089   6.560   2.109
  192    HB3  GLN  28           2HB      GLN  28  -2.975   7.908   2.387
  193    HG2  GLN  28           1HG      GLN  28  -2.419   7.953  -0.002
  194    HG3  GLN  28           2HG      GLN  28  -3.604   6.704  -0.344
  195   HE21  GLN  28          1HE2      GLN  28  -3.954   8.976  -1.762
  196   HE22  GLN  28          2HE2      GLN  28  -5.261   9.941  -1.087
  197    H    ALA  29           H        ALA  29  -3.106   4.730   3.665
  198    HA   ALA  29           HA       ALA  29  -1.755   5.667   5.999
  199    HB1  ALA  29           1HB      ALA  29  -3.978   4.598   6.016
  200    HB2  ALA  29           2HB      ALA  29  -3.245   3.046   5.555
  201    HB3  ALA  29           3HB      ALA  29  -2.860   3.781   7.124
  202    H    HIS  30           H        HIS  30  -0.640   3.328   3.636
  203    HA   HIS  30           HA       HIS  30   1.582   2.429   5.401
  204    HB2  HIS  30           1HB      HIS  30   0.616   0.729   4.009
  205    HB3  HIS  30           2HB      HIS  30   0.753   1.727   2.563
  206    HD1  HIS  30           1HD      HIS  30   3.031  -0.233   4.981
  207    HD2  HIS  30           2HD      HIS  30   3.086   1.856   1.335
  208    HE1  HIS  30           1HE      HIS  30   5.345  -0.607   4.010
  209    H    LEU  31           H        LEU  31   1.105   4.599   2.532
  210    HA   LEU  31           HA       LEU  31   3.823   5.082   1.983
  211    HB2  LEU  31           1HB      LEU  31   1.465   6.984   1.820
  212    HB3  LEU  31           2HB      LEU  31   3.043   7.335   1.136
  213    HG   LEU  31           HG       LEU  31   1.263   5.030   0.252
  214   HD11  LEU  31          1HD1      LEU  31   1.906   7.672  -1.109
  215   HD12  LEU  31          2HD1      LEU  31   0.359   7.261  -0.339
  216   HD13  LEU  31          3HD1      LEU  31   0.897   6.359  -1.763
  217   HD21  LEU  31          3HD2      LEU  31   3.871   6.079  -0.902
  218   HD22  LEU  31          1HD2      LEU  31   2.790   4.890  -1.666
  219   HD23  LEU  31          2HD2      LEU  31   3.606   4.482  -0.156
  220    H    LYS  32           H        LYS  32   1.846   6.624   4.520
  221    HA   LYS  32           HA       LYS  32   3.788   8.520   5.393
  222    HB2  LYS  32           1HB      LYS  32   2.556   8.597   7.493
  223    HB3  LYS  32           2HB      LYS  32   1.500   8.721   6.086
  224    HG2  LYS  32           1HG      LYS  32   0.641   6.523   6.386
  225    HG3  LYS  32           2HG      LYS  32   1.908   6.090   7.556
  226    HD2  LYS  32           1HD      LYS  32   1.023   7.678   9.188
  227    HD3  LYS  32           2HD      LYS  32  -0.151   8.288   8.022
  228    HE2  LYS  32           1HE      LYS  32  -1.188   6.820   9.689
  229    HE3  LYS  32           2HE      LYS  32  -1.392   6.210   8.048
  230    HZ1  LYS  32           3HZ      LYS  32  -0.743   4.487   9.695
  231    HZ2  LYS  32           1HZ      LYS  32   0.705   5.210   9.903
  232    HZ3  LYS  32           2HZ      LYS  32   0.289   4.573   8.438
  233    H    VAL  33           H        VAL  33   3.849   5.087   5.855
  234    HA   VAL  33           HA       VAL  33   5.547   5.016   8.177
  235    HB   VAL  33           HB       VAL  33   4.167   3.132   6.845
  236   HG11  VAL  33          1HG1      VAL  33   7.031   2.449   6.043
  237   HG12  VAL  33          2HG1      VAL  33   5.561   1.503   5.761
  238   HG13  VAL  33          3HG1      VAL  33   5.798   3.033   4.908
  239   HG21  VAL  33          3HG2      VAL  33   5.258   1.451   8.177
  240   HG22  VAL  33          1HG2      VAL  33   6.623   2.550   8.509
  241   HG23  VAL  33          2HG2      VAL  33   4.987   2.931   9.110
  242    H    HIS  34           H        HIS  34   6.201   5.760   4.844
  243    HA   HIS  34           HA       HIS  34   9.124   5.448   5.127
  244    HB2  HIS  34           1HB      HIS  34   7.388   6.311   2.785
  245    HB3  HIS  34           2HB      HIS  34   9.125   6.035   2.732
  246    HD1  HIS  34           1HD      HIS  34   9.760   3.338   3.661
  247    HD2  HIS  34           2HD      HIS  34   6.035   4.254   1.932
  248    HE1  HIS  34           1HE      HIS  34   8.833   1.132   2.827
  249    H    THR  35           H        THR  35   6.806   8.002   5.563
  250    HA   THR  35           HA       THR  35   8.914  10.104   5.258
  251    HB   THR  35           HB       THR  35   7.074  11.710   5.199
  252    HG1  THR  35           1HG      THR  35   4.976  10.971   5.054
  253   HG21  THR  35          3HG2      THR  35   6.641   9.464   3.176
  254   HG22  THR  35          1HG2      THR  35   7.914  10.701   3.073
  255   HG23  THR  35          2HG2      THR  35   6.210  11.177   2.987
  256    H    ALA  36           H        ALA  36   6.778   8.639   7.675
  257    HA   ALA  36           HA       ALA  36   7.283  10.582   9.737
  258    HB1  ALA  36           1HB      ALA  36   5.350   9.057   9.750
  259    HB2  ALA  36           2HB      ALA  36   6.440   7.660   9.911
  260    HB3  ALA  36           3HB      ALA  36   6.328   8.860  11.216
  261    H    LEU  37           H        LEU  37   8.565  10.342  11.646
  262    HA   LEU  37           HA       LEU  37  10.688   8.407  11.823
  263    HB2  LEU  37           1HB      LEU  37  12.543   9.825  11.689
  264    HB3  LEU  37           2HB      LEU  37  11.630  10.105  10.222
  265    HG   LEU  37           HG       LEU  37  11.726  11.957  12.655
  266   HD11  LEU  37          1HD1      LEU  37  13.061  13.409  11.203
  267   HD12  LEU  37          2HD1      LEU  37  12.969  12.215   9.889
  268   HD13  LEU  37          3HD1      LEU  37  13.838  11.832  11.391
  269   HD21  LEU  37          3HD2      LEU  37   9.600  12.332  11.524
  270   HD22  LEU  37          1HD2      LEU  37  10.404  12.350   9.935
  271   HD23  LEU  37          2HD2      LEU  37  10.697  13.647  11.116
  272    H    ASP  38           H        ASP  38  11.785   8.527  13.792
  273    HA   ASP  38           HA       ASP  38  10.763  10.224  15.999
  274    HB2  ASP  38           1HB      ASP  38   9.299   8.248  15.981
  275    HB3  ASP  38           2HB      ASP  38  10.699   7.182  16.034
  Start of MODEL    8
    1    H1   GLY   1           1H       GLY   1  -3.717 -15.994  -7.148
    2    H2   GLY   1           2H       GLY   1  -2.654 -16.981  -6.383
    3    H3   GLY   1           3H       GLY   1  -2.258 -16.304  -7.823
    4    HA2  GLY   1           1HA      GLY   1  -2.676 -14.837  -5.298
    5    HA3  GLY   1           2HA      GLY   1  -1.103 -15.166  -6.052
    6    H    SER   2           H        SER   2  -2.994 -12.678  -5.513
    7    HA   SER   2           HA       SER   2  -3.684 -10.761  -6.494
    8    HB2  SER   2           1HB      SER   2  -1.208 -11.121  -8.207
    9    HB3  SER   2           2HB      SER   2  -2.091  -9.606  -7.939
   10    HG   SER   2           HG       SER   2  -0.255  -9.886  -6.538
   11    H    SER   3           H        SER   3  -5.079 -12.937  -7.453
   12    HA   SER   3           HA       SER   3  -5.868 -12.190 -10.220
   13    HB2  SER   3           1HB      SER   3  -5.822 -14.584 -10.850
   14    HB3  SER   3           2HB      SER   3  -4.215 -13.948 -10.474
   15    HG   SER   3           HG       SER   3  -4.797 -16.062  -9.547
   16    H    GLY   4           H        GLY   4  -7.887 -13.321 -10.914
   17    HA2  GLY   4           1HA      GLY   4 -10.110 -13.909 -10.617
   18    HA3  GLY   4           2HA      GLY   4  -9.703 -14.485  -9.002
   19    H    SER   5           H        SER   5 -11.246 -13.590  -7.734
   20    HA   SER   5           HA       SER   5 -12.298 -10.911  -8.101
   21    HB2  SER   5           1HB      SER   5 -13.758 -11.520  -6.188
   22    HB3  SER   5           2HB      SER   5 -13.788 -12.679  -7.521
   23    HG   SER   5           HG       SER   5 -12.483 -12.932  -5.007
   24    H    SER   6           H        SER   6  -9.524 -10.744  -7.595
   25    HA   SER   6           HA       SER   6  -8.943 -10.098  -4.829
   26    HB2  SER   6           1HB      SER   6  -6.787  -9.383  -5.719
   27    HB3  SER   6           2HB      SER   6  -7.259 -10.934  -6.435
   28    HG   SER   6           HG       SER   6  -6.527  -9.532  -8.063
   29    H    GLY   7           H        GLY   7 -10.358  -8.267  -7.411
   30    HA2  GLY   7           1HA      GLY   7 -11.077  -6.056  -7.518
   31    HA3  GLY   7           2HA      GLY   7 -10.417  -5.749  -5.909
   32    H    ILE   8           H        ILE   8  -8.078  -7.193  -7.866
   33    HA   ILE   8           HA       ILE   8  -6.122  -6.616  -8.712
   34    HB   ILE   8           HB       ILE   8  -7.306  -3.956  -9.544
   35   HG12  ILE   8          1HG1      ILE   8  -7.038  -6.595 -11.066
   36   HG13  ILE   8          2HG1      ILE   8  -8.548  -5.915 -10.462
   37   HG21  ILE   8          1HG2      ILE   8  -4.801  -5.414 -10.510
   38   HG22  ILE   8          2HG2      ILE   8  -5.439  -3.888 -11.155
   39   HG23  ILE   8          3HG2      ILE   8  -4.824  -3.936  -9.520
   40   HD11  ILE   8          3HD1      ILE   8  -6.834  -4.768 -12.685
   41   HD12  ILE   8          1HD1      ILE   8  -8.459  -5.456 -12.789
   42   HD13  ILE   8          2HD1      ILE   8  -8.212  -3.915 -11.941
   43    H    LEU   9           H        LEU   9  -4.265  -6.208  -7.776
   44    HA   LEU   9           HA       LEU   9  -4.244  -4.742  -5.242
   45    HB2  LEU   9           1HB      LEU   9  -2.255  -6.504  -6.712
   46    HB3  LEU   9           2HB      LEU   9  -1.783  -5.576  -5.310
   47    HG   LEU   9           HG       LEU   9  -2.232  -7.895  -4.762
   48   HD11  LEU   9          1HD1      LEU   9  -4.299  -6.081  -3.476
   49   HD12  LEU   9          2HD1      LEU   9  -2.566  -6.121  -3.059
   50   HD13  LEU   9          3HD1      LEU   9  -3.580  -7.545  -2.785
   51   HD21  LEU   9          3HD2      LEU   9  -4.424  -8.877  -4.718
   52   HD22  LEU   9          1HD2      LEU   9  -4.090  -8.341  -6.376
   53   HD23  LEU   9          2HD2      LEU   9  -5.178  -7.393  -5.329
   54    H    LEU  10           H        LEU  10  -3.354  -2.885  -4.778
   55    HA   LEU  10           HA       LEU  10  -1.863  -1.272  -6.789
   56    HB2  LEU  10           1HB      LEU  10  -2.862  -0.456  -4.036
   57    HB3  LEU  10           2HB      LEU  10  -2.271   0.594  -5.319
   58    HG   LEU  10           HG       LEU  10  -4.887  -0.984  -5.391
   59   HD11  LEU  10          1HD1      LEU  10  -4.352   1.986  -4.997
   60   HD12  LEU  10          2HD1      LEU  10  -4.889   0.841  -3.746
   61   HD13  LEU  10          3HD1      LEU  10  -5.947   1.207  -5.119
   62   HD21  LEU  10          3HD2      LEU  10  -3.996  -0.621  -7.663
   63   HD22  LEU  10          1HD2      LEU  10  -3.769   1.109  -7.311
   64   HD23  LEU  10          2HD2      LEU  10  -5.403   0.410  -7.369
   65    H    LYS  11           H        LYS  11   0.255  -0.458  -6.169
   66    HA   LYS  11           HA       LYS  11   1.555  -1.862  -3.867
   67    HB2  LYS  11           1HB      LYS  11   2.691  -1.551  -6.674
   68    HB3  LYS  11           2HB      LYS  11   3.582  -2.091  -5.255
   69    HG2  LYS  11           1HG      LYS  11   1.719  -3.918  -5.033
   70    HG3  LYS  11           2HG      LYS  11   1.304  -3.487  -6.689
   71    HD2  LYS  11           1HD      LYS  11   2.760  -5.380  -6.786
   72    HD3  LYS  11           2HD      LYS  11   3.704  -3.988  -7.343
   73    HE2  LYS  11           1HE      LYS  11   4.747  -3.806  -5.083
   74    HE3  LYS  11           2HE      LYS  11   3.759  -5.152  -4.509
   75    HZ1  LYS  11           3HZ      LYS  11   5.811  -5.333  -6.652
   76    HZ2  LYS  11           1HZ      LYS  11   4.894  -6.583  -6.122
   77    HZ3  LYS  11           2HZ      LYS  11   5.985  -5.887  -5.122
   78    H    CYS  12           H        CYS  12   3.277  -0.970  -2.909
   79    HA   CYS  12           HA       CYS  12   3.362   1.884  -2.638
   80    HB2  CYS  12           1HB      CYS  12   3.697   0.158  -0.892
   81    HB3  CYS  12           2HB      CYS  12   5.229  -0.301  -1.660
   82    HA   PRO  13           HA       PRO  13   6.304   2.520  -5.978
   83    HB2  PRO  13           1HB      PRO  13   6.700   5.195  -5.821
   84    HB3  PRO  13           2HB      PRO  13   5.096   4.502  -6.209
   85    HG2  PRO  13           1HG      PRO  13   6.111   5.429  -3.496
   86    HG3  PRO  13           2HG      PRO  13   4.578   5.878  -4.312
   87    HD2  PRO  13           1HD      PRO  13   4.732   3.859  -2.466
   88    HD3  PRO  13           2HD      PRO  13   3.615   3.782  -3.863
   89    H    THR  14           H        THR  14   7.259   2.940  -2.661
   90    HA   THR  14           HA       THR  14   9.870   4.047  -3.040
   91    HB   THR  14           HB       THR  14   8.746   2.407  -0.748
   92    HG1  THR  14           1HG      THR  14   8.424   4.459   0.127
   93   HG21  THR  14          3HG2      THR  14  10.467   3.609   0.625
   94   HG22  THR  14          1HG2      THR  14  11.212   4.199  -0.876
   95   HG23  THR  14          2HG2      THR  14  11.174   2.457  -0.506
   96    H    ASP  15           H        ASP  15  11.827   3.176  -3.503
   97    HA   ASP  15           HA       ASP  15  11.936   0.701  -4.855
   98    HB2  ASP  15           1HB      ASP  15  13.349   2.679  -5.299
   99    HB3  ASP  15           2HB      ASP  15  14.195   2.427  -3.773
  100    H    GLY  16           H        GLY  16  12.826   1.430  -1.504
  101    HA2  GLY  16           1HA      GLY  16  13.966  -1.213  -0.941
  102    HA3  GLY  16           2HA      GLY  16  13.660   0.089   0.208
  103    H    CYS  17           H        CYS  17  10.830  -0.505  -1.562
  104    HA   CYS  17           HA       CYS  17   9.629  -2.088   0.667
  105    HB2  CYS  17           1HB      CYS  17   9.242   0.434   0.435
  106    HB3  CYS  17           2HB      CYS  17   8.293   0.039  -1.011
  107    H    ASP  18           H        ASP  18   7.761  -3.290   0.142
  108    HA   ASP  18           HA       ASP  18   7.187  -3.988  -2.660
  109    HB2  ASP  18           1HB      ASP  18   9.069  -5.502  -1.898
  110    HB3  ASP  18           2HB      ASP  18   7.970  -6.168  -0.690
  111    H    TYR  19           H        TYR  19   5.868  -2.795  -0.148
  112    HA   TYR  19           HA       TYR  19   3.754  -4.524   0.698
  113    HB2  TYR  19           1HB      TYR  19   4.420  -2.633   2.010
  114    HB3  TYR  19           2HB      TYR  19   4.127  -1.524   0.683
  115    HD1  TYR  19           2HD      TYR  19   2.548  -3.569   3.331
  116    HD2  TYR  19           1HD      TYR  19   1.844  -0.791   0.103
  117    HE1  TYR  19           2HE      TYR  19   0.237  -3.176   4.168
  118    HE2  TYR  19           1HE      TYR  19  -0.458  -0.393   0.955
  119    HH   TYR  19           HH       TYR  19  -1.726  -2.039   3.870
  120    H    SER  20           H        SER  20   1.655  -4.750   0.086
  121    HA   SER  20           HA       SER  20   0.582  -3.250  -2.184
  122    HB2  SER  20           1HB      SER  20  -0.108  -5.194  -3.450
  123    HB3  SER  20           2HB      SER  20   1.650  -5.202  -3.250
  124    HG   SER  20           HG       SER  20   1.446  -6.768  -1.649
  125    H    THR  21           H        THR  21  -1.656  -3.270  -2.401
  126    HA   THR  21           HA       THR  21  -3.398  -4.726  -0.568
  127    HB   THR  21           HB       THR  21  -2.677  -2.986   0.962
  128    HG1  THR  21           1HG      THR  21  -4.723  -3.290   1.359
  129   HG21  THR  21          3HG2      THR  21  -1.965  -1.231  -0.667
  130   HG22  THR  21          1HG2      THR  21  -3.049  -0.620   0.590
  131   HG23  THR  21          2HG2      THR  21  -3.669  -0.919  -1.044
  132    HA   PRO  22           HA       PRO  22  -6.088  -3.540  -4.000
  133    HB2  PRO  22           1HB      PRO  22  -8.499  -4.480  -3.209
  134    HB3  PRO  22           2HB      PRO  22  -7.135  -5.572  -3.602
  135    HG2  PRO  22           1HG      PRO  22  -8.012  -4.609  -0.858
  136    HG3  PRO  22           2HG      PRO  22  -7.681  -6.291  -1.383
  137    HD2  PRO  22           1HD      PRO  22  -5.824  -4.742  -0.100
  138    HD3  PRO  22           2HD      PRO  22  -5.354  -5.947  -1.322
  139    H    ASP  23           H        ASP  23  -6.141  -2.068  -0.905
  140    HA   ASP  23           HA       ASP  23  -8.434  -0.282  -1.547
  141    HB2  ASP  23           1HB      ASP  23  -8.281  -1.622   0.656
  142    HB3  ASP  23           2HB      ASP  23  -6.963  -0.570   1.052
  143    H    LYS  24           H        LYS  24  -8.128   1.759  -2.191
  144    HA   LYS  24           HA       LYS  24  -5.507   2.903  -2.469
  145    HB2  LYS  24           1HB      LYS  24  -6.599   4.786  -3.463
  146    HB3  LYS  24           2HB      LYS  24  -7.353   3.304  -4.043
  147    HG2  LYS  24           1HG      LYS  24  -9.246   3.661  -2.430
  148    HG3  LYS  24           2HG      LYS  24  -8.481   5.173  -1.902
  149    HD2  LYS  24           1HD      LYS  24  -8.629   6.062  -4.208
  150    HD3  LYS  24           2HD      LYS  24  -9.404   4.550  -4.739
  151    HE2  LYS  24           1HE      LYS  24 -11.263   4.952  -3.137
  152    HE3  LYS  24           2HE      LYS  24 -10.486   6.455  -2.622
  153    HZ1  LYS  24           3HZ      LYS  24 -11.481   5.913  -5.368
  154    HZ2  LYS  24           1HZ      LYS  24 -10.751   7.297  -4.892
  155    HZ3  LYS  24           2HZ      LYS  24 -12.201   6.885  -4.271
  156    H    TYR  25           H        TYR  25  -7.641   3.042   0.263
  157    HA   TYR  25           HA       TYR  25  -6.291   5.456   1.350
  158    HB2  TYR  25           1HB      TYR  25  -8.560   3.821   2.513
  159    HB3  TYR  25           2HB      TYR  25  -7.905   5.315   3.151
  160    HD1  TYR  25           1HD      TYR  25  -8.098   7.463   1.791
  161    HD2  TYR  25           2HD      TYR  25 -10.224   3.849   0.770
  162    HE1  TYR  25           1HE      TYR  25  -9.704   8.794   0.430
  163    HE2  TYR  25           2HE      TYR  25 -11.847   5.187  -0.570
  164    HH   TYR  25           HH       TYR  25 -11.577   8.748  -0.890
  165    H    LYS  26           H        LYS  26  -6.523   1.911   1.917
  166    HA   LYS  26           HA       LYS  26  -4.752   1.847   4.200
  167    HB2  LYS  26           1HB      LYS  26  -5.083  -0.242   2.011
  168    HB3  LYS  26           2HB      LYS  26  -4.274  -0.489   3.545
  169    HG2  LYS  26           1HG      LYS  26  -6.393   0.021   4.765
  170    HG3  LYS  26           2HG      LYS  26  -7.235   0.160   3.232
  171    HD2  LYS  26           1HD      LYS  26  -6.598  -2.219   2.709
  172    HD3  LYS  26           2HD      LYS  26  -5.810  -2.322   4.297
  173    HE2  LYS  26           1HE      LYS  26  -7.980  -1.776   5.395
  174    HE3  LYS  26           2HE      LYS  26  -8.760  -1.692   3.810
  175    HZ1  LYS  26           3HZ      LYS  26  -7.489  -4.123   4.958
  176    HZ2  LYS  26           1HZ      LYS  26  -8.210  -4.051   3.492
  177    HZ3  LYS  26           2HZ      LYS  26  -9.094  -3.861   4.850
  178    H    LEU  27           H        LEU  27  -4.031   1.895   0.695
  179    HA   LEU  27           HA       LEU  27  -1.194   1.792   0.996
  180    HB2  LEU  27           1HB      LEU  27  -2.447   1.411  -1.129
  181    HB3  LEU  27           2HB      LEU  27  -2.856   3.128  -1.160
  182    HG   LEU  27           HG       LEU  27  -0.474   3.725  -1.420
  183   HD11  LEU  27          1HD1      LEU  27   0.022   0.711  -1.411
  184   HD12  LEU  27          2HD1      LEU  27   0.649   1.893  -0.232
  185   HD13  LEU  27          3HD1      LEU  27   1.202   1.946  -1.901
  186   HD21  LEU  27          3HD2      LEU  27  -1.857   3.252  -3.421
  187   HD22  LEU  27          1HD2      LEU  27  -1.338   1.551  -3.364
  188   HD23  LEU  27          2HD2      LEU  27  -0.153   2.836  -3.681
  189    H    GLN  28           H        GLN  28  -3.383   4.656   0.845
  190    HA   GLN  28           HA       GLN  28  -1.336   6.644   1.100
  191    HB2  GLN  28           1HB      GLN  28  -4.316   6.567   1.735
  192    HB3  GLN  28           2HB      GLN  28  -3.336   8.011   2.040
  193    HG2  GLN  28           1HG      GLN  28  -2.584   8.074  -0.227
  194    HG3  GLN  28           2HG      GLN  28  -3.463   6.618  -0.666
  195   HE21  GLN  28          1HE2      GLN  28  -5.765   6.688  -0.856
  196   HE22  GLN  28          2HE2      GLN  28  -6.636   8.226  -0.947
  197    H    ALA  29           H        ALA  29  -3.061   4.828   3.524
  198    HA   ALA  29           HA       ALA  29  -1.817   6.064   5.835
  199    HB1  ALA  29           1HB      ALA  29  -2.697   4.137   7.061
  200    HB2  ALA  29           2HB      ALA  29  -3.922   4.784   5.953
  201    HB3  ALA  29           3HB      ALA  29  -3.048   3.294   5.542
  202    H    HIS  30           H        HIS  30  -0.825   3.287   3.766
  203    HA   HIS  30           HA       HIS  30   1.502   2.625   5.393
  204    HB2  HIS  30           1HB      HIS  30   0.487   0.934   4.002
  205    HB3  HIS  30           2HB      HIS  30   0.683   1.918   2.551
  206    HD1  HIS  30           1HD      HIS  30   2.834  -0.152   4.988
  207    HD2  HIS  30           2HD      HIS  30   3.062   2.005   1.393
  208    HE1  HIS  30           1HE      HIS  30   5.157  -0.594   4.068
  209    H    LEU  31           H        LEU  31   1.086   4.747   2.493
  210    HA   LEU  31           HA       LEU  31   3.809   5.191   1.942
  211    HB2  LEU  31           1HB      LEU  31   1.418   7.043   1.754
  212    HB3  LEU  31           2HB      LEU  31   2.994   7.488   1.125
  213    HG   LEU  31           HG       LEU  31   1.421   5.065   0.157
  214   HD11  LEU  31          1HD1      LEU  31   1.813   7.796  -1.131
  215   HD12  LEU  31          2HD1      LEU  31   0.304   7.214  -0.397
  216   HD13  LEU  31          3HD1      LEU  31   0.951   6.407  -1.832
  217   HD21  LEU  31          3HD2      LEU  31   3.928   6.409  -0.917
  218   HD22  LEU  31          1HD2      LEU  31   2.982   5.153  -1.747
  219   HD23  LEU  31          2HD2      LEU  31   3.808   4.767  -0.237
  220    H    LYS  32           H        LYS  32   1.913   6.609   4.558
  221    HA   LYS  32           HA       LYS  32   3.798   8.619   5.388
  222    HB2  LYS  32           1HB      LYS  32   1.643   7.147   6.963
  223    HB3  LYS  32           2HB      LYS  32   2.514   8.583   7.519
  224    HG2  LYS  32           1HG      LYS  32   1.660   9.872   5.579
  225    HG3  LYS  32           2HG      LYS  32   0.764   8.450   5.026
  226    HD2  LYS  32           1HD      LYS  32  -0.527   8.461   7.190
  227    HD3  LYS  32           2HD      LYS  32   0.354   9.922   7.659
  228    HE2  LYS  32           1HE      LYS  32  -1.701  10.712   6.786
  229    HE3  LYS  32           2HE      LYS  32  -0.493  11.027   5.538
  230    HZ1  LYS  32           3HZ      LYS  32  -2.434  10.064   4.528
  231    HZ2  LYS  32           1HZ      LYS  32  -2.469   8.810   5.569
  232    HZ3  LYS  32           2HZ      LYS  32  -1.273   8.905   4.457
  233    H    VAL  33           H        VAL  33   3.853   5.154   5.847
  234    HA   VAL  33           HA       VAL  33   5.515   5.077   8.182
  235    HB   VAL  33           HB       VAL  33   4.127   3.219   6.830
  236   HG11  VAL  33          1HG1      VAL  33   5.763   3.080   4.916
  237   HG12  VAL  33          2HG1      VAL  33   6.990   2.497   6.060
  238   HG13  VAL  33          3HG1      VAL  33   5.515   1.558   5.778
  239   HG21  VAL  33          3HG2      VAL  33   6.545   2.592   8.532
  240   HG22  VAL  33          1HG2      VAL  33   4.909   3.015   9.108
  241   HG23  VAL  33          2HG2      VAL  33   5.156   1.526   8.188
  242    H    HIS  34           H        HIS  34   6.246   5.718   4.828
  243    HA   HIS  34           HA       HIS  34   9.130   5.353   5.123
  244    HB2  HIS  34           1HB      HIS  34   7.426   6.405   2.838
  245    HB3  HIS  34           2HB      HIS  34   9.165   6.116   2.760
  246    HD1  HIS  34           1HD      HIS  34   9.801   3.404   3.577
  247    HD2  HIS  34           2HD      HIS  34   6.002   4.340   2.027
  248    HE1  HIS  34           1HE      HIS  34   8.794   1.194   2.864
  249    H    THR  35           H        THR  35   7.135   7.816   6.169
  250    HA   THR  35           HA       THR  35   9.498   9.627   6.362
  251    HB   THR  35           HB       THR  35   7.842  10.537   4.784
  252    HG1  THR  35           1HG      THR  35   8.259  11.948   7.192
  253   HG21  THR  35          3HG2      THR  35   5.730   9.823   5.722
  254   HG22  THR  35          1HG2      THR  35   5.780  11.586   5.644
  255   HG23  THR  35          2HG2      THR  35   6.007  10.765   7.204
  256    H    ALA  36           H        ALA  36   7.938   7.478   8.093
  257    HA   ALA  36           HA       ALA  36   7.555   8.940  10.608
  258    HB1  ALA  36           1HB      ALA  36   6.995   6.721  11.483
  259    HB2  ALA  36           2HB      ALA  36   6.120   7.024   9.974
  260    HB3  ALA  36           3HB      ALA  36   7.546   5.959   9.977
  261    H    LEU  37           H        LEU  37   8.686   8.030  12.596
  262    HA   LEU  37           HA       LEU  37  11.472   7.173  12.210
  263    HB2  LEU  37           1HB      LEU  37  11.519   9.660  12.162
  264    HB3  LEU  37           2HB      LEU  37  10.668   9.701  13.705
  265    HG   LEU  37           HG       LEU  37  12.616   8.585  14.803
  266   HD11  LEU  37          1HD1      LEU  37  14.783   8.499  13.583
  267   HD12  LEU  37          2HD1      LEU  37  13.945   8.921  12.074
  268   HD13  LEU  37          3HD1      LEU  37  13.609   7.380  12.892
  269   HD21  LEU  37          3HD2      LEU  37  13.314  11.095  13.224
  270   HD22  LEU  37          1HD2      LEU  37  14.112  10.529  14.709
  271   HD23  LEU  37          2HD2      LEU  37  12.419  11.043  14.760
  272    H    ASP  38           H        ASP  38  12.115   5.833  13.750
  273    HA   ASP  38           HA       ASP  38  10.769   5.590  16.380
  274    HB2  ASP  38           1HB      ASP  38   9.551   4.068  14.883
  275    HB3  ASP  38           2HB      ASP  38  11.060   3.311  14.386
  Start of MODEL    9
    1    H1   GLY   1           1H       GLY   1 -13.199 -17.364 -19.592
    2    H2   GLY   1           2H       GLY   1 -14.675 -16.663 -19.466
    3    H3   GLY   1           3H       GLY   1 -14.207 -17.796 -18.377
    4    HA2  GLY   1           1HA      GLY   1 -12.973 -15.140 -18.710
    5    HA3  GLY   1           2HA      GLY   1 -14.080 -15.594 -17.403
    6    H    SER   2           H        SER   2 -11.404 -14.604 -17.088
    7    HA   SER   2           HA       SER   2 -10.237 -16.753 -15.433
    8    HB2  SER   2           1HB      SER   2  -7.975 -16.364 -16.349
    9    HB3  SER   2           2HB      SER   2  -9.082 -17.053 -17.543
   10    HG   SER   2           HG       SER   2  -7.838 -15.326 -18.409
   11    H    SER   3           H        SER   3  -8.543 -15.974 -14.008
   12    HA   SER   3           HA       SER   3  -7.883 -14.744 -12.254
   13    HB2  SER   3           1HB      SER   3  -8.222 -12.340 -14.071
   14    HB3  SER   3           2HB      SER   3  -7.351 -12.370 -12.532
   15    HG   SER   3           HG       SER   3  -5.957 -12.679 -14.338
   16    H    GLY   4           H        GLY   4  -8.400 -12.979 -10.635
   17    HA2  GLY   4           1HA      GLY   4 -11.063 -13.434  -9.663
   18    HA3  GLY   4           2HA      GLY   4  -9.860 -12.366  -8.951
   19    H    SER   5           H        SER   5 -12.851 -12.145  -9.534
   20    HA   SER   5           HA       SER   5 -13.145  -9.916 -11.386
   21    HB2  SER   5           1HB      SER   5 -15.510  -9.993 -10.645
   22    HB3  SER   5           2HB      SER   5 -14.891 -11.558 -11.199
   23    HG   SER   5           HG       SER   5 -16.078 -11.731  -9.231
   24    H    SER   6           H        SER   6 -12.065 -10.019  -8.190
   25    HA   SER   6           HA       SER   6 -13.224  -7.552  -7.202
   26    HB2  SER   6           1HB      SER   6 -11.630  -7.935  -5.315
   27    HB3  SER   6           2HB      SER   6 -12.705  -9.299  -5.661
   28    HG   SER   6           HG       SER   6 -10.516  -9.957  -5.353
   29    H    GLY   7           H        GLY   7 -10.881  -7.951  -9.532
   30    HA2  GLY   7           1HA      GLY   7  -9.772  -6.207 -10.651
   31    HA3  GLY   7           2HA      GLY   7  -9.969  -5.157  -9.254
   32    H    ILE   8           H        ILE   8  -7.730  -4.631  -9.918
   33    HA   ILE   8           HA       ILE   8  -5.634  -6.605  -9.160
   34    HB   ILE   8           HB       ILE   8  -5.403  -4.102 -10.860
   35   HG12  ILE   8          1HG1      ILE   8  -6.799  -5.654 -12.083
   36   HG13  ILE   8          2HG1      ILE   8  -5.216  -5.566 -12.816
   37   HG21  ILE   8          1HG2      ILE   8  -3.429  -6.361 -10.312
   38   HG22  ILE   8          2HG2      ILE   8  -3.231  -5.134 -11.581
   39   HG23  ILE   8          3HG2      ILE   8  -3.260  -4.642  -9.891
   40   HD11  ILE   8          3HD1      ILE   8  -6.211  -7.846 -11.045
   41   HD12  ILE   8          1HD1      ILE   8  -6.055  -7.864 -12.808
   42   HD13  ILE   8          2HD1      ILE   8  -4.603  -7.755 -11.802
   43    H    LEU   9           H        LEU   9  -4.087  -6.144  -7.702
   44    HA   LEU   9           HA       LEU   9  -4.655  -4.196  -5.631
   45    HB2  LEU   9           1HB      LEU   9  -2.501  -6.278  -6.079
   46    HB3  LEU   9           2HB      LEU   9  -2.317  -5.053  -4.834
   47    HG   LEU   9           HG       LEU   9  -4.390  -5.738  -3.747
   48   HD11  LEU   9          1HD1      LEU   9  -5.441  -7.922  -4.308
   49   HD12  LEU   9          2HD1      LEU   9  -4.474  -7.986  -5.797
   50   HD13  LEU   9          3HD1      LEU   9  -5.699  -6.713  -5.564
   51   HD21  LEU   9          3HD2      LEU   9  -2.248  -6.691  -3.044
   52   HD22  LEU   9          1HD2      LEU   9  -2.437  -8.016  -4.214
   53   HD23  LEU   9          2HD2      LEU   9  -3.556  -7.862  -2.842
   54    H    LEU  10           H        LEU  10  -3.553  -2.454  -4.963
   55    HA   LEU  10           HA       LEU  10  -1.839  -0.949  -6.845
   56    HB2  LEU  10           1HB      LEU  10  -2.715  -0.255  -4.015
   57    HB3  LEU  10           2HB      LEU  10  -2.033   0.834  -5.221
   58    HG   LEU  10           HG       LEU  10  -4.790  -0.471  -5.380
   59   HD11  LEU  10          1HD1      LEU  10  -3.965   2.392  -4.754
   60   HD12  LEU  10          2HD1      LEU  10  -4.599   1.204  -3.592
   61   HD13  LEU  10          3HD1      LEU  10  -5.629   1.781  -4.912
   62   HD21  LEU  10          3HD2      LEU  10  -3.884  -0.007  -7.628
   63   HD22  LEU  10          1HD2      LEU  10  -3.481   1.656  -7.137
   64   HD23  LEU  10          2HD2      LEU  10  -5.177   1.130  -7.229
   65    H    LYS  11           H        LYS  11   0.327  -0.291  -6.202
   66    HA   LYS  11           HA       LYS  11   1.577  -1.881  -3.998
   67    HB2  LYS  11           1HB      LYS  11   2.733  -1.409  -6.775
   68    HB3  LYS  11           2HB      LYS  11   3.624  -2.024  -5.387
   69    HG2  LYS  11           1HG      LYS  11   1.762  -3.862  -5.261
   70    HG3  LYS  11           2HG      LYS  11   1.347  -3.344  -6.893
   71    HD2  LYS  11           1HD      LYS  11   2.808  -5.231  -7.081
   72    HD3  LYS  11           2HD      LYS  11   3.743  -3.809  -7.574
   73    HE2  LYS  11           1HE      LYS  11   4.790  -3.726  -5.308
   74    HE3  LYS  11           2HE      LYS  11   3.816  -5.109  -4.801
   75    HZ1  LYS  11           3HZ      LYS  11   4.967  -6.450  -6.472
   76    HZ2  LYS  11           1HZ      LYS  11   6.055  -5.770  -5.457
   77    HZ3  LYS  11           2HZ      LYS  11   5.855  -5.164  -6.963
   78    H    CYS  12           H        CYS  12   3.283  -1.070  -2.944
   79    HA   CYS  12           HA       CYS  12   3.436   1.760  -2.522
   80    HB2  CYS  12           1HB      CYS  12   3.723  -0.042  -0.856
   81    HB3  CYS  12           2HB      CYS  12   5.246  -0.510  -1.640
   82    HA   PRO  13           HA       PRO  13   6.487   2.448  -5.787
   83    HB2  PRO  13           1HB      PRO  13   6.773   5.130  -5.640
   84    HB3  PRO  13           2HB      PRO  13   5.202   4.384  -6.063
   85    HG2  PRO  13           1HG      PRO  13   6.117   5.360  -3.331
   86    HG3  PRO  13           2HG      PRO  13   4.592   5.756  -4.188
   87    HD2  PRO  13           1HD      PRO  13   4.784   3.741  -2.324
   88    HD3  PRO  13           2HD      PRO  13   3.676   3.648  -3.729
   89    H    THR  14           H        THR  14   7.281   2.653  -2.469
   90    HA   THR  14           HA       THR  14   9.863   3.974  -2.666
   91    HB   THR  14           HB       THR  14   8.682   2.253  -0.459
   92    HG1  THR  14           1HG      THR  14   7.545   4.138  -0.806
   93   HG21  THR  14          3HG2      THR  14  10.316   3.460   1.004
   94   HG22  THR  14          1HG2      THR  14  11.120   4.085  -0.452
   95   HG23  THR  14          2HG2      THR  14  11.090   2.335  -0.115
   96    H    ASP  15           H        ASP  15  11.882   3.155  -3.031
   97    HA   ASP  15           HA       ASP  15  12.012   0.699  -4.459
   98    HB2  ASP  15           1HB      ASP  15  14.287   1.251  -4.886
   99    HB3  ASP  15           2HB      ASP  15  13.335   2.726  -4.963
  100    H    GLY  16           H        GLY  16  12.712   1.332  -1.092
  101    HA2  GLY  16           1HA      GLY  16  14.015  -1.275  -0.611
  102    HA3  GLY  16           2HA      GLY  16  13.637  -0.032   0.581
  103    H    CYS  17           H        CYS  17  10.931  -0.717  -1.384
  104    HA   CYS  17           HA       CYS  17   9.643  -2.414   0.713
  105    HB2  CYS  17           1HB      CYS  17   9.370   0.097   0.859
  106    HB3  CYS  17           2HB      CYS  17   8.485   0.007  -0.674
  107    H    ASP  18           H        ASP  18   7.739  -3.476   0.045
  108    HA   ASP  18           HA       ASP  18   7.229  -3.919  -2.829
  109    HB2  ASP  18           1HB      ASP  18   9.091  -5.487  -2.139
  110    HB3  ASP  18           2HB      ASP  18   7.965  -6.246  -1.013
  111    H    TYR  19           H        TYR  19   5.837  -2.962  -0.247
  112    HA   TYR  19           HA       TYR  19   3.721  -4.752   0.422
  113    HB2  TYR  19           1HB      TYR  19   4.360  -2.979   1.882
  114    HB3  TYR  19           2HB      TYR  19   4.127  -1.767   0.644
  115    HD1  TYR  19           2HD      TYR  19   2.460  -3.976   3.092
  116    HD2  TYR  19           1HD      TYR  19   1.833  -0.916   0.104
  117    HE1  TYR  19           2HE      TYR  19   0.162  -3.584   3.963
  118    HE2  TYR  19           1HE      TYR  19  -0.434  -0.507   1.010
  119    HH   TYR  19           HH       TYR  19  -1.761  -2.355   3.775
  120    H    SER  20           H        SER  20   1.625  -4.936  -0.218
  121    HA   SER  20           HA       SER  20   0.568  -3.279  -2.404
  122    HB2  SER  20           1HB      SER  20  -0.234  -5.205  -3.682
  123    HB3  SER  20           2HB      SER  20   1.540  -5.205  -3.558
  124    HG   SER  20           HG       SER  20   0.703  -7.284  -3.161
  125    H    THR  21           H        THR  21  -1.670  -3.209  -2.594
  126    HA   THR  21           HA       THR  21  -3.424  -4.655  -0.751
  127    HB   THR  21           HB       THR  21  -2.617  -3.007   0.788
  128    HG1  THR  21           1HG      THR  21  -4.509  -2.261   1.415
  129   HG21  THR  21          3HG2      THR  21  -1.841  -1.231  -0.784
  130   HG22  THR  21          1HG2      THR  21  -2.898  -0.605   0.490
  131   HG23  THR  21          2HG2      THR  21  -3.532  -0.838  -1.151
  132    HA   PRO  22           HA       PRO  22  -6.214  -3.425  -4.071
  133    HB2  PRO  22           1HB      PRO  22  -8.624  -4.243  -3.126
  134    HB3  PRO  22           2HB      PRO  22  -7.337  -5.397  -3.589
  135    HG2  PRO  22           1HG      PRO  22  -7.987  -4.358  -0.807
  136    HG3  PRO  22           2HG      PRO  22  -7.784  -6.064  -1.328
  137    HD2  PRO  22           1HD      PRO  22  -5.757  -4.648  -0.191
  138    HD3  PRO  22           2HD      PRO  22  -5.440  -5.829  -1.487
  139    H    ASP  23           H        ASP  23  -6.104  -1.861  -1.017
  140    HA   ASP  23           HA       ASP  23  -8.301   0.047  -1.722
  141    HB2  ASP  23           1HB      ASP  23  -8.422  -1.414   0.423
  142    HB3  ASP  23           2HB      ASP  23  -7.091  -0.461   0.976
  143    H    LYS  24           H        LYS  24  -7.849   2.149  -2.109
  144    HA   LYS  24           HA       LYS  24  -5.136   3.115  -2.125
  145    HB2  LYS  24           1HB      LYS  24  -6.022   5.181  -2.937
  146    HB3  LYS  24           2HB      LYS  24  -6.834   3.841  -3.743
  147    HG2  LYS  24           1HG      LYS  24  -8.816   4.155  -2.249
  148    HG3  LYS  24           2HG      LYS  24  -7.990   5.511  -1.453
  149    HD2  LYS  24           1HD      LYS  24  -7.869   6.721  -3.604
  150    HD3  LYS  24           2HD      LYS  24  -8.711   5.375  -4.411
  151    HE2  LYS  24           1HE      LYS  24 -10.653   5.707  -2.878
  152    HE3  LYS  24           2HE      LYS  24  -9.806   7.061  -2.120
  153    HZ1  LYS  24           3HZ      LYS  24 -10.639   6.958  -4.971
  154    HZ2  LYS  24           1HZ      LYS  24  -9.842   8.204  -4.274
  155    HZ3  LYS  24           2HZ      LYS  24 -11.359   7.840  -3.802
  156    H    TYR  25           H        TYR  25  -7.618   3.357   0.377
  157    HA   TYR  25           HA       TYR  25  -6.196   5.496   1.806
  158    HB2  TYR  25           1HB      TYR  25  -8.457   3.760   2.826
  159    HB3  TYR  25           2HB      TYR  25  -7.901   5.292   3.464
  160    HD1  TYR  25           2HD      TYR  25  -7.990   7.353   1.748
  161    HD2  TYR  25           1HD      TYR  25 -10.323   3.740   1.394
  162    HE1  TYR  25           2HE      TYR  25  -9.692   8.578   0.399
  163    HE2  TYR  25           1HE      TYR  25 -12.024   4.966   0.056
  164    HH   TYR  25           HH       TYR  25 -12.663   6.986  -0.823
  165    H    LYS  26           H        LYS  26  -6.527   1.924   2.000
  166    HA   LYS  26           HA       LYS  26  -4.785   1.586   4.296
  167    HB2  LYS  26           1HB      LYS  26  -5.195  -0.286   1.938
  168    HB3  LYS  26           2HB      LYS  26  -4.417  -0.702   3.452
  169    HG2  LYS  26           1HG      LYS  26  -6.534  -0.204   4.688
  170    HG3  LYS  26           2HG      LYS  26  -7.346   0.088   3.161
  171    HD2  LYS  26           1HD      LYS  26  -6.785  -2.268   2.458
  172    HD3  LYS  26           2HD      LYS  26  -6.027  -2.522   4.043
  173    HE2  LYS  26           1HE      LYS  26  -8.193  -1.987   5.152
  174    HE3  LYS  26           2HE      LYS  26  -8.945  -1.755   3.569
  175    HZ1  LYS  26           3HZ      LYS  26  -8.465  -4.099   3.076
  176    HZ2  LYS  26           1HZ      LYS  26  -9.365  -3.986   4.432
  177    HZ3  LYS  26           2HZ      LYS  26  -7.771  -4.309   4.542
  178    H    LEU  27           H        LEU  27  -4.063   1.868   0.787
  179    HA   LEU  27           HA       LEU  27  -1.233   1.642   1.088
  180    HB2  LEU  27           1HB      LEU  27  -2.424   1.443  -1.063
  181    HB3  LEU  27           2HB      LEU  27  -2.819   3.157  -1.011
  182    HG   LEU  27           HG       LEU  27  -0.434   3.753  -1.160
  183   HD11  LEU  27          1HD1      LEU  27   0.062   0.744  -1.323
  184   HD12  LEU  27          2HD1      LEU  27   0.657   1.852  -0.058
  185   HD13  LEU  27          3HD1      LEU  27   1.256   2.004  -1.706
  186   HD21  LEU  27          3HD2      LEU  27  -1.238   1.710  -3.255
  187   HD22  LEU  27          1HD2      LEU  27  -0.048   3.012  -3.459
  188   HD23  LEU  27          2HD2      LEU  27  -1.760   3.410  -3.223
  189    H    GLN  28           H        GLN  28  -3.289   4.645   1.081
  190    HA   GLN  28           HA       GLN  28  -1.209   6.513   1.561
  191    HB2  GLN  28           1HB      GLN  28  -4.126   6.409   2.420
  192    HB3  GLN  28           2HB      GLN  28  -3.081   7.779   2.821
  193    HG2  GLN  28           1HG      GLN  28  -2.581   8.186   0.521
  194    HG3  GLN  28           2HG      GLN  28  -3.479   6.785  -0.031
  195   HE21  GLN  28          1HE2      GLN  28  -4.307   8.909  -1.323
  196   HE22  GLN  28          2HE2      GLN  28  -5.784   9.574  -0.639
  197    H    ALA  29           H        ALA  29  -3.068   4.664   3.942
  198    HA   ALA  29           HA       ALA  29  -1.647   5.508   6.266
  199    HB1  ALA  29           1HB      ALA  29  -2.731   3.584   7.345
  200    HB2  ALA  29           2HB      ALA  29  -3.871   4.443   6.292
  201    HB3  ALA  29           3HB      ALA  29  -3.150   2.907   5.760
  202    H    HIS  30           H        HIS  30  -0.557   3.336   3.776
  203    HA   HIS  30           HA       HIS  30   1.748   2.380   5.434
  204    HB2  HIS  30           1HB      HIS  30   0.534   0.703   4.163
  205    HB3  HIS  30           2HB      HIS  30   0.713   1.631   2.674
  206    HD1  HIS  30           1HD      HIS  30   2.895  -0.373   5.148
  207    HD2  HIS  30           2HD      HIS  30   3.015   1.556   1.416
  208    HE1  HIS  30           1HE      HIS  30   5.179  -0.896   4.179
  209    H    LEU  31           H        LEU  31   1.049   4.607   2.692
  210    HA   LEU  31           HA       LEU  31   3.797   5.119   2.036
  211    HB2  LEU  31           1HB      LEU  31   1.308   6.825   1.788
  212    HB3  LEU  31           2HB      LEU  31   2.860   7.295   1.115
  213    HG   LEU  31           HG       LEU  31   1.367   4.767   0.297
  214   HD11  LEU  31          1HD1      LEU  31   0.809   5.995  -1.755
  215   HD12  LEU  31          2HD1      LEU  31   1.588   7.457  -1.109
  216   HD13  LEU  31          3HD1      LEU  31   0.124   6.807  -0.341
  217   HD21  LEU  31          3HD2      LEU  31   3.774   6.167  -0.918
  218   HD22  LEU  31          1HD2      LEU  31   2.875   4.809  -1.634
  219   HD23  LEU  31          2HD2      LEU  31   3.760   4.569  -0.127
  220    H    LYS  32           H        LYS  32   1.696   6.578   4.527
  221    HA   LYS  32           HA       LYS  32   3.469   8.634   5.341
  222    HB2  LYS  32           1HB      LYS  32   2.201   8.799   7.356
  223    HB3  LYS  32           2HB      LYS  32   1.109   8.506   6.003
  224    HG2  LYS  32           1HG      LYS  32   0.939   6.120   6.658
  225    HG3  LYS  32           2HG      LYS  32   2.041   6.405   8.020
  226    HD2  LYS  32           1HD      LYS  32   0.422   8.091   8.927
  227    HD3  LYS  32           2HD      LYS  32  -0.706   7.667   7.621
  228    HE2  LYS  32           1HE      LYS  32  -0.726   5.308   8.423
  229    HE3  LYS  32           2HE      LYS  32   0.421   5.727   9.699
  230    HZ1  LYS  32           3HZ      LYS  32  -1.253   7.233  10.630
  231    HZ2  LYS  32           1HZ      LYS  32  -1.861   5.725  10.531
  232    HZ3  LYS  32           2HZ      LYS  32  -2.321   6.858   9.450
  233    H    VAL  33           H        VAL  33   3.737   5.230   5.945
  234    HA   VAL  33           HA       VAL  33   5.500   5.169   8.188
  235    HB   VAL  33           HB       VAL  33   5.316   3.268   5.820
  236   HG11  VAL  33          1HG1      VAL  33   7.203   2.705   7.214
  237   HG12  VAL  33          2HG1      VAL  33   6.154   2.706   8.661
  238   HG13  VAL  33          3HG1      VAL  33   5.902   1.512   7.356
  239   HG21  VAL  33          3HG2      VAL  33   3.043   3.619   6.879
  240   HG22  VAL  33          1HG2      VAL  33   3.668   1.988   7.098
  241   HG23  VAL  33          2HG2      VAL  33   3.743   3.158   8.439
  242    H    HIS  34           H        HIS  34   6.047   5.770   4.735
  243    HA   HIS  34           HA       HIS  34   8.976   5.539   4.982
  244    HB2  HIS  34           1HB      HIS  34   7.165   6.147   2.616
  245    HB3  HIS  34           2HB      HIS  34   8.904   5.857   2.535
  246    HD1  HIS  34           1HD      HIS  34   9.468   3.278   3.944
  247    HD2  HIS  34           2HD      HIS  34   5.848   4.012   1.925
  248    HE1  HIS  34           1HE      HIS  34   8.485   0.992   3.438
  249    H    THR  35           H        THR  35   6.586   8.144   4.742
  250    HA   THR  35           HA       THR  35   8.652  10.168   4.196
  251    HB   THR  35           HB       THR  35   6.287  10.147   3.269
  252    HG1  THR  35           1HG      THR  35   6.277  12.381   3.233
  253   HG21  THR  35          3HG2      THR  35   5.600  11.612   5.847
  254   HG22  THR  35          1HG2      THR  35   5.174   9.919   5.556
  255   HG23  THR  35          2HG2      THR  35   4.528  11.183   4.494
  256    H    ALA  36           H        ALA  36   7.308   8.776   7.059
  257    HA   ALA  36           HA       ALA  36   7.681  10.918   8.897
  258    HB1  ALA  36           1HB      ALA  36   7.774   7.900   9.314
  259    HB2  ALA  36           2HB      ALA  36   7.591   9.119  10.593
  260    HB3  ALA  36           3HB      ALA  36   6.323   8.928   9.369
  261    H    LEU  37           H        LEU  37   9.286  11.247  10.476
  262    HA   LEU  37           HA       LEU  37  12.050  10.448   9.709
  263    HB2  LEU  37           1HB      LEU  37  11.226  12.772   9.021
  264    HB3  LEU  37           2HB      LEU  37  11.192  13.173  10.732
  265    HG   LEU  37           HG       LEU  37  13.679  12.758  10.838
  266   HD11  LEU  37          1HD1      LEU  37  13.402  12.373   7.825
  267   HD12  LEU  37          2HD1      LEU  37  13.983  11.164   8.995
  268   HD13  LEU  37          3HD1      LEU  37  14.934  12.618   8.695
  269   HD21  LEU  37          3HD2      LEU  37  12.769  15.011  10.418
  270   HD22  LEU  37          1HD2      LEU  37  12.792  14.698   8.668
  271   HD23  LEU  37          2HD2      LEU  37  14.313  14.763   9.589
  272    H    ASP  38           H        ASP  38  10.599   9.003  11.561
  273    HA   ASP  38           HA       ASP  38  12.180   9.339  14.051
  274    HB2  ASP  38           1HB      ASP  38  10.035  10.470  14.466
  275    HB3  ASP  38           2HB      ASP  38   9.156   9.029  13.966
  Start of MODEL   10
    1    H1   GLY   1           1H       GLY   1  -4.567 -17.113 -12.453
    2    H2   GLY   1           2H       GLY   1  -3.593 -16.565 -13.650
    3    H3   GLY   1           3H       GLY   1  -3.268 -17.996 -12.921
    4    HA2  GLY   1           1HA      GLY   1  -4.228 -18.377 -15.096
    5    HA3  GLY   1           2HA      GLY   1  -5.265 -18.993 -13.796
    6    H    SER   2           H        SER   2  -5.982 -18.114 -16.545
    7    HA   SER   2           HA       SER   2  -7.127 -15.510 -16.557
    8    HB2  SER   2           1HB      SER   2  -8.244 -16.296 -18.637
    9    HB3  SER   2           2HB      SER   2  -6.502 -16.612 -18.592
   10    HG   SER   2           HG       SER   2  -7.712 -18.436 -19.321
   11    H    SER   3           H        SER   3  -8.455 -18.446 -15.224
   12    HA   SER   3           HA       SER   3 -11.225 -17.620 -15.172
   13    HB2  SER   3           1HB      SER   3  -9.762 -19.590 -13.375
   14    HB3  SER   3           2HB      SER   3 -11.517 -19.458 -13.593
   15    HG   SER   3           HG       SER   3 -10.610 -21.122 -14.889
   16    H    GLY   4           H        GLY   4  -8.551 -16.423 -13.394
   17    HA2  GLY   4           1HA      GLY   4  -9.849 -15.850 -10.861
   18    HA3  GLY   4           2HA      GLY   4  -8.320 -15.205 -11.446
   19    H    SER   5           H        SER   5  -9.805 -13.546 -10.023
   20    HA   SER   5           HA       SER   5 -11.735 -11.945 -11.364
   21    HB2  SER   5           1HB      SER   5  -9.853 -11.171  -9.104
   22    HB3  SER   5           2HB      SER   5 -11.340 -10.325  -9.568
   23    HG   SER   5           HG       SER   5 -11.676 -11.779  -7.814
   24    H    SER   6           H        SER   6 -11.639  -9.882 -12.304
   25    HA   SER   6           HA       SER   6  -9.277  -9.318 -13.908
   26    HB2  SER   6           1HB      SER   6 -10.703  -7.498 -14.823
   27    HB3  SER   6           2HB      SER   6 -11.459  -9.099 -14.886
   28    HG   SER   6           HG       SER   6 -12.902  -7.478 -14.105
   29    H    GLY   7           H        GLY   7 -10.537  -8.028 -10.897
   30    HA2  GLY   7           1HA      GLY   7  -9.064  -5.534 -10.888
   31    HA3  GLY   7           2HA      GLY   7  -9.808  -6.319  -9.498
   32    H    ILE   8           H        ILE   8  -7.227  -4.975  -9.703
   33    HA   ILE   8           HA       ILE   8  -5.406  -7.131  -8.751
   34    HB   ILE   8           HB       ILE   8  -3.504  -6.047  -9.831
   35   HG12  ILE   8          1HG1      ILE   8  -5.527  -4.382 -11.400
   36   HG13  ILE   8          2HG1      ILE   8  -4.494  -3.762 -10.108
   37   HG21  ILE   8          1HG2      ILE   8  -4.708  -8.008 -10.824
   38   HG22  ILE   8          2HG2      ILE   8  -5.599  -6.886 -11.873
   39   HG23  ILE   8          3HG2      ILE   8  -3.836  -7.034 -12.007
   40   HD11  ILE   8          3HD1      ILE   8  -3.554  -4.884 -12.770
   41   HD12  ILE   8          1HD1      ILE   8  -3.483  -3.205 -12.212
   42   HD13  ILE   8          2HD1      ILE   8  -2.479  -4.438 -11.420
   43    H    LEU   9           H        LEU   9  -3.717  -6.451  -7.335
   44    HA   LEU   9           HA       LEU   9  -4.587  -4.450  -5.412
   45    HB2  LEU   9           1HB      LEU   9  -2.250  -6.375  -5.596
   46    HB3  LEU   9           2HB      LEU   9  -2.268  -5.078  -4.411
   47    HG   LEU   9           HG       LEU   9  -4.321  -5.886  -3.419
   48   HD11  LEU   9          1HD1      LEU   9  -5.450  -7.035  -5.250
   49   HD12  LEU   9          2HD1      LEU   9  -5.174  -8.168  -3.929
   50   HD13  LEU   9          3HD1      LEU   9  -4.123  -8.221  -5.362
   51   HD21  LEU   9          3HD2      LEU   9  -2.151  -6.644  -2.563
   52   HD22  LEU   9          1HD2      LEU   9  -2.190  -8.035  -3.668
   53   HD23  LEU   9          2HD2      LEU   9  -3.388  -7.892  -2.360
   54    H    LEU  10           H        LEU  10  -3.722  -2.560  -4.869
   55    HA   LEU  10           HA       LEU  10  -2.030  -1.041  -6.736
   56    HB2  LEU  10           1HB      LEU  10  -3.039  -0.269  -3.972
   57    HB3  LEU  10           2HB      LEU  10  -2.430   0.804  -5.232
   58    HG   LEU  10           HG       LEU  10  -5.051  -0.754  -5.329
   59   HD11  LEU  10          1HD1      LEU  10  -5.022   1.097  -3.715
   60   HD12  LEU  10          2HD1      LEU  10  -6.089   1.449  -5.085
   61   HD13  LEU  10          3HD1      LEU  10  -4.487   2.219  -4.988
   62   HD21  LEU  10          3HD2      LEU  10  -3.890   1.291  -7.278
   63   HD22  LEU  10          1HD2      LEU  10  -5.541   0.631  -7.330
   64   HD23  LEU  10          2HD2      LEU  10  -4.160  -0.438  -7.607
   65    H    LYS  11           H        LYS  11   0.054  -0.177  -6.074
   66    HA   LYS  11           HA       LYS  11   1.491  -1.861  -4.050
   67    HB2  LYS  11           1HB      LYS  11   2.377  -1.263  -6.898
   68    HB3  LYS  11           2HB      LYS  11   3.259  -2.209  -5.694
   69    HG2  LYS  11           1HG      LYS  11   1.403  -3.875  -5.650
   70    HG3  LYS  11           2HG      LYS  11   0.540  -2.927  -6.870
   71    HD2  LYS  11           1HD      LYS  11   2.421  -3.274  -8.468
   72    HD3  LYS  11           2HD      LYS  11   3.230  -4.275  -7.253
   73    HE2  LYS  11           1HE      LYS  11   2.099  -5.744  -8.786
   74    HE3  LYS  11           2HE      LYS  11   1.271  -5.823  -7.230
   75    HZ1  LYS  11           3HZ      LYS  11   0.350  -4.210  -9.555
   76    HZ2  LYS  11           1HZ      LYS  11  -0.460  -4.354  -8.136
   77    HZ3  LYS  11           2HZ      LYS  11  -0.277  -5.648  -9.115
   78    H    CYS  12           H        CYS  12   3.249  -1.032  -3.049
   79    HA   CYS  12           HA       CYS  12   3.426   1.819  -2.767
   80    HB2  CYS  12           1HB      CYS  12   3.742   0.140  -0.990
   81    HB3  CYS  12           2HB      CYS  12   5.243  -0.388  -1.773
   82    HA   PRO  13           HA       PRO  13   6.472   2.298  -6.101
   83    HB2  PRO  13           1HB      PRO  13   6.657   4.992  -6.176
   84    HB3  PRO  13           2HB      PRO  13   5.122   4.163  -6.576
   85    HG2  PRO  13           1HG      PRO  13   5.928   5.396  -3.914
   86    HG3  PRO  13           2HG      PRO  13   4.415   5.664  -4.841
   87    HD2  PRO  13           1HD      PRO  13   4.636   3.816  -2.804
   88    HD3  PRO  13           2HD      PRO  13   3.549   3.581  -4.209
   89    H    THR  14           H        THR  14   7.099   2.753  -2.792
   90    HA   THR  14           HA       THR  14   9.495   4.333  -2.922
   91    HB   THR  14           HB       THR  14   8.649   2.537  -0.627
   92    HG1  THR  14           1HG      THR  14   6.930   3.796  -0.953
   93   HG21  THR  14          3HG2      THR  14  10.873   3.499  -0.293
   94   HG22  THR  14          1HG2      THR  14   9.716   4.350   0.731
   95   HG23  THR  14          2HG2      THR  14  10.282   5.112  -0.767
   96    H    ASP  15           H        ASP  15  11.659   3.806  -2.884
   97    HA   ASP  15           HA       ASP  15  12.503   1.333  -4.011
   98    HB2  ASP  15           1HB      ASP  15  13.724   3.442  -4.269
   99    HB3  ASP  15           2HB      ASP  15  14.084   3.472  -2.541
  100    H    GLY  16           H        GLY  16  13.201  -0.554  -3.187
  101    HA2  GLY  16           1HA      GLY  16  13.806  -2.203  -1.694
  102    HA3  GLY  16           2HA      GLY  16  14.000  -0.988  -0.431
  103    H    CYS  17           H        CYS  17  10.902  -0.481  -1.478
  104    HA   CYS  17           HA       CYS  17   9.677  -2.102   0.659
  105    HB2  CYS  17           1HB      CYS  17   9.310   0.379   0.238
  106    HB3  CYS  17           2HB      CYS  17   8.341  -0.105  -1.166
  107    H    ASP  18           H        ASP  18   7.779  -3.305   0.276
  108    HA   ASP  18           HA       ASP  18   7.462  -4.600  -2.393
  109    HB2  ASP  18           1HB      ASP  18   9.176  -5.817  -0.983
  110    HB3  ASP  18           2HB      ASP  18   7.903  -6.141   0.191
  111    H    TYR  19           H        TYR  19   5.885  -2.903  -0.219
  112    HA   TYR  19           HA       TYR  19   3.683  -4.558   0.602
  113    HB2  TYR  19           1HB      TYR  19   4.431  -2.679   1.905
  114    HB3  TYR  19           2HB      TYR  19   4.161  -1.571   0.576
  115    HD1  TYR  19           2HD      TYR  19   2.562  -3.589   3.232
  116    HD2  TYR  19           1HD      TYR  19   1.876  -0.813  -0.002
  117    HE1  TYR  19           2HE      TYR  19   0.258  -3.170   4.078
  118    HE2  TYR  19           1HE      TYR  19  -0.416  -0.384   0.862
  119    HH   TYR  19           HH       TYR  19  -1.690  -2.008   3.788
  120    H    SER  20           H        SER  20   1.635  -4.765  -0.109
  121    HA   SER  20           HA       SER  20   0.572  -3.101  -2.254
  122    HB2  SER  20           1HB      SER  20  -0.217  -5.006  -3.611
  123    HB3  SER  20           2HB      SER  20   1.549  -4.879  -3.581
  124    HG   SER  20           HG       SER  20   1.623  -6.572  -2.096
  125    H    THR  21           H        THR  21  -1.712  -3.177  -2.486
  126    HA   THR  21           HA       THR  21  -3.360  -4.646  -0.553
  127    HB   THR  21           HB       THR  21  -2.562  -2.914   0.896
  128    HG1  THR  21           1HG      THR  21  -4.461  -2.275   1.579
  129   HG21  THR  21          3HG2      THR  21  -2.918  -0.535   0.509
  130   HG22  THR  21          1HG2      THR  21  -3.609  -0.853  -1.093
  131   HG23  THR  21          2HG2      THR  21  -1.896  -1.182  -0.780
  132    HA   PRO  22           HA       PRO  22  -6.288  -3.647  -3.821
  133    HB2  PRO  22           1HB      PRO  22  -8.646  -4.491  -2.768
  134    HB3  PRO  22           2HB      PRO  22  -7.334  -5.623  -3.221
  135    HG2  PRO  22           1HG      PRO  22  -7.935  -4.488  -0.467
  136    HG3  PRO  22           2HG      PRO  22  -7.694  -6.206  -0.921
  137    HD2  PRO  22           1HD      PRO  22  -5.678  -4.688   0.091
  138    HD3  PRO  22           2HD      PRO  22  -5.365  -5.908  -1.170
  139    H    ASP  23           H        ASP  23  -6.180  -1.942  -0.822
  140    HA   ASP  23           HA       ASP  23  -8.399  -0.102  -1.634
  141    HB2  ASP  23           1HB      ASP  23  -8.409  -1.418   0.634
  142    HB3  ASP  23           2HB      ASP  23  -7.186  -0.292   1.100
  143    H    LYS  24           H        LYS  24  -7.979   1.918  -2.207
  144    HA   LYS  24           HA       LYS  24  -5.416   3.131  -2.509
  145    HB2  LYS  24           1HB      LYS  24  -7.442   3.777  -3.749
  146    HB3  LYS  24           2HB      LYS  24  -8.223   4.310  -2.254
  147    HG2  LYS  24           1HG      LYS  24  -6.544   6.114  -1.997
  148    HG3  LYS  24           2HG      LYS  24  -5.722   5.557  -3.470
  149    HD2  LYS  24           1HD      LYS  24  -7.774   6.037  -4.784
  150    HD3  LYS  24           2HD      LYS  24  -8.612   6.541  -3.299
  151    HE2  LYS  24           1HE      LYS  24  -6.927   8.340  -2.968
  152    HE3  LYS  24           2HE      LYS  24  -6.112   7.851  -4.462
  153    HZ1  LYS  24           3HZ      LYS  24  -8.161   8.402  -5.674
  154    HZ2  LYS  24           1HZ      LYS  24  -7.633   9.707  -4.851
  155    HZ3  LYS  24           2HZ      LYS  24  -8.908   8.857  -4.293
  156    H    TYR  25           H        TYR  25  -7.747   3.373   0.195
  157    HA   TYR  25           HA       TYR  25  -6.202   5.484   1.483
  158    HB2  TYR  25           1HB      TYR  25  -8.549   3.857   2.503
  159    HB3  TYR  25           2HB      TYR  25  -7.892   5.312   3.249
  160    HD1  TYR  25           2HD      TYR  25  -7.786   7.476   1.796
  161    HD2  TYR  25           1HD      TYR  25 -10.224   4.055   0.803
  162    HE1  TYR  25           2HE      TYR  25  -9.129   8.880   0.237
  163    HE2  TYR  25           1HE      TYR  25 -11.565   5.462  -0.749
  164    HH   TYR  25           HH       TYR  25 -11.864   7.545  -1.661
  165    H    LYS  26           H        LYS  26  -6.322   1.953   1.817
  166    HA   LYS  26           HA       LYS  26  -4.658   1.695   4.162
  167    HB2  LYS  26           1HB      LYS  26  -5.179  -0.079   1.794
  168    HB3  LYS  26           2HB      LYS  26  -4.119  -0.524   3.106
  169    HG2  LYS  26           1HG      LYS  26  -6.489  -1.368   3.179
  170    HG3  LYS  26           2HG      LYS  26  -5.786  -0.770   4.648
  171    HD2  LYS  26           1HD      LYS  26  -7.142   1.220   4.632
  172    HD3  LYS  26           2HD      LYS  26  -7.720   0.865   3.002
  173    HE2  LYS  26           1HE      LYS  26  -8.566  -1.387   4.007
  174    HE3  LYS  26           2HE      LYS  26  -8.352  -0.601   5.578
  175    HZ1  LYS  26           3HZ      LYS  26  -9.874   1.169   4.751
  176    HZ2  LYS  26           1HZ      LYS  26 -10.607  -0.292   4.739
  177    HZ3  LYS  26           2HZ      LYS  26 -10.067   0.349   3.334
  178    H    LEU  27           H        LEU  27  -3.947   1.954   0.641
  179    HA   LEU  27           HA       LEU  27  -1.110   1.798   0.937
  180    HB2  LEU  27           1HB      LEU  27  -2.370   1.433  -1.201
  181    HB3  LEU  27           2HB      LEU  27  -2.713   3.158  -1.247
  182    HG   LEU  27           HG       LEU  27  -0.326   3.686  -1.475
  183   HD11  LEU  27          1HD1      LEU  27   1.323   1.873  -1.906
  184   HD12  LEU  27          2HD1      LEU  27   0.113   0.665  -1.424
  185   HD13  LEU  27          3HD1      LEU  27   0.743   1.849  -0.247
  186   HD21  LEU  27          3HD2      LEU  27  -1.164   1.497  -3.408
  187   HD22  LEU  27          1HD2      LEU  27   0.018   2.784  -3.714
  188   HD23  LEU  27          2HD2      LEU  27  -1.692   3.195  -3.497
  189    H    GLN  28           H        GLN  28  -3.276   4.692   0.802
  190    HA   GLN  28           HA       GLN  28  -1.243   6.663   1.133
  191    HB2  GLN  28           1HB      GLN  28  -4.152   6.562   2.051
  192    HB3  GLN  28           2HB      GLN  28  -3.113   7.981   2.271
  193    HG2  GLN  28           1HG      GLN  28  -2.651   8.033  -0.133
  194    HG3  GLN  28           2HG      GLN  28  -3.752   6.697  -0.421
  195   HE21  GLN  28          1HE2      GLN  28  -4.236   9.019  -1.809
  196   HE22  GLN  28          2HE2      GLN  28  -5.630   9.841  -1.118
  197    H    ALA  29           H        ALA  29  -3.053   4.886   3.632
  198    HA   ALA  29           HA       ALA  29  -1.653   5.933   5.889
  199    HB1  ALA  29           1HB      ALA  29  -3.004   3.222   5.546
  200    HB2  ALA  29           2HB      ALA  29  -2.591   4.003   7.085
  201    HB3  ALA  29           3HB      ALA  29  -3.805   4.738   6.019
  202    H    HIS  30           H        HIS  30  -0.731   3.254   3.688
  203    HA   HIS  30           HA       HIS  30   1.591   2.479   5.282
  204    HB2  HIS  30           1HB      HIS  30   0.563   0.850   3.834
  205    HB3  HIS  30           2HB      HIS  30   0.757   1.890   2.420
  206    HD1  HIS  30           1HD      HIS  30   2.954  -0.169   4.843
  207    HD2  HIS  30           2HD      HIS  30   3.103   1.952   1.219
  208    HE1  HIS  30           1HE      HIS  30   5.282  -0.559   3.915
  209    H    LEU  31           H        LEU  31   1.167   4.710   2.455
  210    HA   LEU  31           HA       LEU  31   3.927   5.188   2.003
  211    HB2  LEU  31           1HB      LEU  31   1.501   6.977   1.683
  212    HB3  LEU  31           2HB      LEU  31   3.099   7.447   1.129
  213    HG   LEU  31           HG       LEU  31   1.652   4.957   0.127
  214   HD11  LEU  31          1HD1      LEU  31   0.445   7.025  -0.496
  215   HD12  LEU  31          2HD1      LEU  31   1.199   6.257  -1.900
  216   HD13  LEU  31          3HD1      LEU  31   1.948   7.696  -1.168
  217   HD21  LEU  31          3HD2      LEU  31   3.276   5.111  -1.724
  218   HD22  LEU  31          1HD2      LEU  31   4.054   4.755  -0.183
  219   HD23  LEU  31          2HD2      LEU  31   4.139   6.401  -0.861
  220    H    LYS  32           H        LYS  32   1.820   6.578   4.482
  221    HA   LYS  32           HA       LYS  32   3.632   8.524   5.547
  222    HB2  LYS  32           1HB      LYS  32   1.405   6.923   6.868
  223    HB3  LYS  32           2HB      LYS  32   2.268   8.256   7.644
  224    HG2  LYS  32           1HG      LYS  32   1.536   9.815   5.885
  225    HG3  LYS  32           2HG      LYS  32   0.671   8.509   5.058
  226    HD2  LYS  32           1HD      LYS  32  -0.769   8.191   7.060
  227    HD3  LYS  32           2HD      LYS  32   0.091   9.515   7.877
  228    HE2  LYS  32           1HE      LYS  32  -0.596  11.064   6.045
  229    HE3  LYS  32           2HE      LYS  32  -1.476   9.745   5.265
  230    HZ1  LYS  32           3HZ      LYS  32  -2.079  10.836   7.966
  231    HZ2  LYS  32           1HZ      LYS  32  -2.896   9.615   7.251
  232    HZ3  LYS  32           2HZ      LYS  32  -2.955  11.118   6.620
  233    H    VAL  33           H        VAL  33   3.784   5.028   5.818
  234    HA   VAL  33           HA       VAL  33   5.362   4.933   8.226
  235    HB   VAL  33           HB       VAL  33   4.091   3.047   6.799
  236   HG11  VAL  33          1HG1      VAL  33   5.570   1.472   5.740
  237   HG12  VAL  33          2HG1      VAL  33   5.794   3.022   4.920
  238   HG13  VAL  33          3HG1      VAL  33   7.000   2.455   6.091
  239   HG21  VAL  33          3HG2      VAL  33   5.196   1.366   8.137
  240   HG22  VAL  33          1HG2      VAL  33   6.510   2.503   8.534
  241   HG23  VAL  33          2HG2      VAL  33   4.844   2.815   9.090
  242    H    HIS  34           H        HIS  34   6.158   5.626   4.888
  243    HA   HIS  34           HA       HIS  34   9.055   5.353   5.283
  244    HB2  HIS  34           1HB      HIS  34   7.405   6.328   2.921
  245    HB3  HIS  34           2HB      HIS  34   9.144   6.048   2.915
  246    HD1  HIS  34           1HD      HIS  34   9.724   3.303   3.777
  247    HD2  HIS  34           2HD      HIS  34   6.093   4.313   1.911
  248    HE1  HIS  34           1HE      HIS  34   8.809   1.133   2.837
  249    H    THR  35           H        THR  35   6.681   8.006   5.320
  250    HA   THR  35           HA       THR  35   8.802  10.060   5.333
  251    HB   THR  35           HB       THR  35   6.954  11.667   5.521
  252    HG1  THR  35           1HG      THR  35   4.858  10.926   5.389
  253   HG21  THR  35          3HG2      THR  35   6.000  11.326   3.304
  254   HG22  THR  35          1HG2      THR  35   6.465   9.612   3.316
  255   HG23  THR  35          2HG2      THR  35   7.714  10.877   3.278
  256    H    ALA  36           H        ALA  36   6.564   8.585   7.712
  257    HA   ALA  36           HA       ALA  36   7.253  10.305   9.884
  258    HB1  ALA  36           1HB      ALA  36   6.227   7.435   9.899
  259    HB2  ALA  36           2HB      ALA  36   6.160   8.581  11.255
  260    HB3  ALA  36           3HB      ALA  36   5.224   8.903   9.783
  261    H    LEU  37           H        LEU  37   9.178   7.893   8.400
  262    HA   LEU  37           HA       LEU  37  10.840   7.122  10.619
  263    HB2  LEU  37           1HB      LEU  37  10.572   5.890   8.470
  264    HB3  LEU  37           2HB      LEU  37  11.363   7.216   7.619
  265    HG   LEU  37           HG       LEU  37  13.476   6.756   8.826
  266   HD11  LEU  37          1HD1      LEU  37  13.701   4.646  10.132
  267   HD12  LEU  37          2HD1      LEU  37  11.937   4.421  10.057
  268   HD13  LEU  37          3HD1      LEU  37  12.638   5.802  10.935
  269   HD21  LEU  37          3HD2      LEU  37  12.246   4.286   7.537
  270   HD22  LEU  37          1HD2      LEU  37  13.982   4.623   7.729
  271   HD23  LEU  37          2HD2      LEU  37  12.995   5.650   6.676
  272    H    ASP  38           H        ASP  38  10.702   9.991   8.661
  273    HA   ASP  38           HA       ASP  38  11.966  11.846   8.382
  274    HB2  ASP  38           1HB      ASP  38  10.859  12.172  10.523
  275    HB3  ASP  38           2HB      ASP  38  12.240  11.492  11.376
  Start of MODEL   11
    1    H1   GLY   1           1H       GLY   1  -9.429 -21.489 -11.354
    2    H2   GLY   1           2H       GLY   1  -8.636 -22.923 -11.417
    3    H3   GLY   1           3H       GLY   1  -8.024 -21.682 -10.536
    4    HA2  GLY   1           1HA      GLY   1 -10.539 -23.112  -9.964
    5    HA3  GLY   1           2HA      GLY   1  -9.017 -23.316  -9.077
    6    H    SER   2           H        SER   2 -10.877 -22.752  -7.430
    7    HA   SER   2           HA       SER   2 -11.577 -19.953  -7.127
    8    HB2  SER   2           1HB      SER   2 -11.967 -22.272  -5.206
    9    HB3  SER   2           2HB      SER   2 -12.786 -20.702  -5.149
   10    HG   SER   2           HG       SER   2 -13.779 -21.185  -7.132
   11    H    SER   3           H        SER   3  -8.927 -19.837  -7.219
   12    HA   SER   3           HA       SER   3  -7.578 -20.147  -4.680
   13    HB2  SER   3           1HB      SER   3  -6.581 -18.894  -7.260
   14    HB3  SER   3           2HB      SER   3  -5.596 -19.462  -5.896
   15    HG   SER   3           HG       SER   3  -5.693 -21.031  -7.548
   16    H    GLY   4           H        GLY   4  -9.508 -18.465  -3.989
   17    HA2  GLY   4           1HA      GLY   4  -9.830 -16.513  -2.754
   18    HA3  GLY   4           2HA      GLY   4  -8.169 -16.033  -3.084
   19    H    SER   5           H        SER   5  -9.180 -13.886  -3.258
   20    HA   SER   5           HA       SER   5 -11.072 -13.169  -5.247
   21    HB2  SER   5           1HB      SER   5  -8.972 -11.427  -3.904
   22    HB3  SER   5           2HB      SER   5 -10.421 -10.858  -4.755
   23    HG   SER   5           HG       SER   5 -10.735 -10.978  -2.475
   24    H    SER   6           H        SER   6 -10.953 -12.347  -7.286
   25    HA   SER   6           HA       SER   6  -8.482 -12.819  -8.813
   26    HB2  SER   6           1HB      SER   6  -9.989 -12.584 -10.761
   27    HB3  SER   6           2HB      SER   6 -10.522 -13.815  -9.604
   28    HG   SER   6           HG       SER   6 -12.250 -12.451 -10.295
   29    H    GLY   7           H        GLY   7  -9.916 -10.054  -7.411
   30    HA2  GLY   7           1HA      GLY   7  -9.330  -8.057  -9.389
   31    HA3  GLY   7           2HA      GLY   7  -9.599  -7.774  -7.672
   32    H    ILE   8           H        ILE   8  -7.723  -6.396  -9.334
   33    HA   ILE   8           HA       ILE   8  -5.047  -7.371  -8.584
   34    HB   ILE   8           HB       ILE   8  -4.180  -5.610 -10.013
   35   HG12  ILE   8          1HG1      ILE   8  -7.076  -5.010 -10.783
   36   HG13  ILE   8          2HG1      ILE   8  -6.054  -3.968  -9.788
   37   HG21  ILE   8          1HG2      ILE   8  -4.684  -7.927 -10.814
   38   HG22  ILE   8          2HG2      ILE   8  -6.246  -7.347 -11.432
   39   HG23  ILE   8          3HG2      ILE   8  -4.722  -6.721 -12.099
   40   HD11  ILE   8          3HD1      ILE   8  -4.438  -3.776 -11.685
   41   HD12  ILE   8          1HD1      ILE   8  -5.584  -4.683 -12.703
   42   HD13  ILE   8          2HD1      ILE   8  -6.049  -3.113 -12.030
   43    H    LEU   9           H        LEU   9  -3.585  -6.278  -7.440
   44    HA   LEU   9           HA       LEU   9  -4.587  -4.380  -5.396
   45    HB2  LEU   9           1HB      LEU   9  -2.167  -6.218  -5.587
   46    HB3  LEU   9           2HB      LEU   9  -2.291  -4.933  -4.394
   47    HG   LEU   9           HG       LEU   9  -4.341  -5.894  -3.491
   48   HD11  LEU   9          1HD1      LEU   9  -4.882  -8.300  -3.953
   49   HD12  LEU   9          2HD1      LEU   9  -3.806  -8.229  -5.366
   50   HD13  LEU   9          3HD1      LEU   9  -5.278  -7.225  -5.286
   51   HD21  LEU   9          3HD2      LEU   9  -1.983  -7.809  -3.567
   52   HD22  LEU   9          1HD2      LEU   9  -3.255  -7.769  -2.324
   53   HD23  LEU   9          2HD2      LEU   9  -2.152  -6.402  -2.499
   54    H    LEU  10           H        LEU  10  -3.513  -2.540  -4.797
   55    HA   LEU  10           HA       LEU  10  -1.900  -1.084  -6.810
   56    HB2  LEU  10           1HB      LEU  10  -2.795  -0.235  -4.029
   57    HB3  LEU  10           2HB      LEU  10  -2.146   0.798  -5.302
   58    HG   LEU  10           HG       LEU  10  -4.853  -0.611  -5.375
   59   HD11  LEU  10          1HD1      LEU  10  -4.708   1.201  -3.722
   60   HD12  LEU  10          2HD1      LEU  10  -5.768   1.637  -5.075
   61   HD13  LEU  10          3HD1      LEU  10  -4.127   2.318  -4.978
   62   HD21  LEU  10          3HD2      LEU  10  -5.290   0.836  -7.340
   63   HD22  LEU  10          1HD2      LEU  10  -3.963  -0.290  -7.655
   64   HD23  LEU  10          2HD2      LEU  10  -3.609   1.416  -7.289
   65    H    LYS  11           H        LYS  11   0.231  -0.284  -6.219
   66    HA   LYS  11           HA       LYS  11   1.658  -1.938  -4.155
   67    HB2  LYS  11           1HB      LYS  11   2.594  -1.213  -6.958
   68    HB3  LYS  11           2HB      LYS  11   3.570  -2.014  -5.721
   69    HG2  LYS  11           1HG      LYS  11   1.953  -3.909  -5.671
   70    HG3  LYS  11           2HG      LYS  11   1.015  -3.133  -6.962
   71    HD2  LYS  11           1HD      LYS  11   2.993  -3.233  -8.460
   72    HD3  LYS  11           2HD      LYS  11   3.924  -4.028  -7.171
   73    HE2  LYS  11           1HE      LYS  11   2.279  -5.894  -7.141
   74    HE3  LYS  11           2HE      LYS  11   1.351  -5.100  -8.421
   75    HZ1  LYS  11           3HZ      LYS  11   3.292  -5.330  -9.881
   76    HZ2  LYS  11           1HZ      LYS  11   2.836  -6.795  -9.327
   77    HZ3  LYS  11           2HZ      LYS  11   4.150  -6.063  -8.698
   78    H    CYS  12           H        CYS  12   3.359  -1.080  -3.077
   79    HA   CYS  12           HA       CYS  12   3.361   1.730  -2.574
   80    HB2  CYS  12           1HB      CYS  12   3.824  -0.096  -0.976
   81    HB3  CYS  12           2HB      CYS  12   5.367  -0.405  -1.801
   82    HA   PRO  13           HA       PRO  13   6.213   2.835  -5.875
   83    HB2  PRO  13           1HB      PRO  13   6.472   5.504  -5.451
   84    HB3  PRO  13           2HB      PRO  13   4.915   4.768  -5.941
   85    HG2  PRO  13           1HG      PRO  13   5.830   5.474  -3.128
   86    HG3  PRO  13           2HG      PRO  13   4.288   5.924  -3.931
   87    HD2  PRO  13           1HD      PRO  13   4.500   3.751  -2.290
   88    HD3  PRO  13           2HD      PRO  13   3.436   3.740  -3.726
   89    H    THR  14           H        THR  14   7.142   2.757  -2.581
   90    HA   THR  14           HA       THR  14   9.747   4.053  -2.841
   91    HB   THR  14           HB       THR  14   8.604   2.321  -0.628
   92    HG1  THR  14           1HG      THR  14   7.527   4.257  -0.886
   93   HG21  THR  14          3HG2      THR  14  11.030   2.307  -0.399
   94   HG22  THR  14          1HG2      THR  14  10.357   3.435   0.779
   95   HG23  THR  14          2HG2      THR  14  11.109   4.062  -0.703
   96    H    ASP  15           H        ASP  15  11.663   3.203  -3.425
   97    HA   ASP  15           HA       ASP  15  11.710   0.792  -4.885
   98    HB2  ASP  15           1HB      ASP  15  13.098   2.793  -5.306
   99    HB3  ASP  15           2HB      ASP  15  14.017   2.473  -3.834
  100    H    GLY  16           H        GLY  16  12.764   1.364  -1.548
  101    HA2  GLY  16           1HA      GLY  16  13.965  -1.287  -1.188
  102    HA3  GLY  16           2HA      GLY  16  13.709  -0.049   0.042
  103    H    CYS  17           H        CYS  17  10.760  -0.494  -1.488
  104    HA   CYS  17           HA       CYS  17   9.724  -2.086   0.795
  105    HB2  CYS  17           1HB      CYS  17   9.135   0.334   0.306
  106    HB3  CYS  17           2HB      CYS  17   8.218  -0.269  -1.083
  107    H    ASP  18           H        ASP  18   7.745  -3.270   0.351
  108    HA   ASP  18           HA       ASP  18   7.592  -4.730  -2.239
  109    HB2  ASP  18           1HB      ASP  18   9.240  -5.879  -0.698
  110    HB3  ASP  18           2HB      ASP  18   7.920  -6.146   0.436
  111    H    TYR  19           H        TYR  19   5.921  -2.976  -0.123
  112    HA   TYR  19           HA       TYR  19   3.705  -4.660   0.612
  113    HB2  TYR  19           1HB      TYR  19   4.419  -2.832   1.989
  114    HB3  TYR  19           2HB      TYR  19   4.199  -1.682   0.686
  115    HD1  TYR  19           2HD      TYR  19   2.494  -3.768   3.224
  116    HD2  TYR  19           1HD      TYR  19   1.954  -0.836   0.099
  117    HE1  TYR  19           2HE      TYR  19   0.190  -3.306   4.049
  118    HE2  TYR  19           1HE      TYR  19  -0.330  -0.366   0.942
  119    HH   TYR  19           HH       TYR  19  -1.709  -2.061   3.784
  120    H    SER  20           H        SER  20   1.654  -4.797  -0.106
  121    HA   SER  20           HA       SER  20   0.648  -3.102  -2.253
  122    HB2  SER  20           1HB      SER  20  -0.219  -5.027  -3.580
  123    HB3  SER  20           2HB      SER  20   1.548  -4.874  -3.613
  124    HG   SER  20           HG       SER  20   1.693  -6.558  -2.120
  125    H    THR  21           H        THR  21  -1.631  -3.113  -2.481
  126    HA   THR  21           HA       THR  21  -3.326  -4.604  -0.612
  127    HB   THR  21           HB       THR  21  -2.520  -2.931   0.907
  128    HG1  THR  21           1HG      THR  21  -4.420  -2.309   1.598
  129   HG21  THR  21          3HG2      THR  21  -1.846  -1.140  -0.720
  130   HG22  THR  21          1HG2      THR  21  -2.847  -0.546   0.612
  131   HG23  THR  21          2HG2      THR  21  -3.564  -0.783  -0.994
  132    HA   PRO  22           HA       PRO  22  -6.160  -3.491  -3.911
  133    HB2  PRO  22           1HB      PRO  22  -8.562  -4.309  -2.931
  134    HB3  PRO  22           2HB      PRO  22  -7.260  -5.453  -3.379
  135    HG2  PRO  22           1HG      PRO  22  -7.906  -4.365  -0.616
  136    HG3  PRO  22           2HG      PRO  22  -7.682  -6.078  -1.102
  137    HD2  PRO  22           1HD      PRO  22  -5.668  -4.620  -0.007
  138    HD3  PRO  22           2HD      PRO  22  -5.343  -5.811  -1.291
  139    H    ASP  23           H        ASP  23  -6.135  -1.820  -0.880
  140    HA   ASP  23           HA       ASP  23  -8.253   0.086  -1.810
  141    HB2  ASP  23           1HB      ASP  23  -8.440  -1.242   0.452
  142    HB3  ASP  23           2HB      ASP  23  -7.262  -0.100   1.011
  143    H    LYS  24           H        LYS  24  -7.658   2.010  -2.485
  144    HA   LYS  24           HA       LYS  24  -5.086   3.187  -2.356
  145    HB2  LYS  24           1HB      LYS  24  -6.040   5.154  -3.208
  146    HB3  LYS  24           2HB      LYS  24  -6.890   3.826  -3.969
  147    HG2  LYS  24           1HG      LYS  24  -7.978   5.459  -1.629
  148    HG3  LYS  24           2HG      LYS  24  -8.279   5.842  -3.308
  149    HD2  LYS  24           1HD      LYS  24  -9.693   4.009  -3.668
  150    HD3  LYS  24           2HD      LYS  24  -9.033   3.095  -2.326
  151    HE2  LYS  24           1HE      LYS  24  -9.958   5.166  -0.907
  152    HE3  LYS  24           2HE      LYS  24 -11.081   5.271  -2.269
  153    HZ1  LYS  24           3HZ      LYS  24 -11.644   2.916  -1.840
  154    HZ2  LYS  24           1HZ      LYS  24 -11.875   3.791  -0.474
  155    HZ3  LYS  24           2HZ      LYS  24 -10.542   2.847  -0.619
  156    H    TYR  25           H        TYR  25  -7.712   3.375   0.055
  157    HA   TYR  25           HA       TYR  25  -6.411   5.495   1.588
  158    HB2  TYR  25           1HB      TYR  25  -8.499   3.448   2.413
  159    HB3  TYR  25           2HB      TYR  25  -8.002   4.831   3.371
  160    HD1  TYR  25           1HD      TYR  25  -7.934   6.897   0.978
  161    HD2  TYR  25           2HD      TYR  25 -10.815   4.002   2.392
  162    HE1  TYR  25           1HE      TYR  25  -9.771   8.282   0.067
  163    HE2  TYR  25           2HE      TYR  25 -12.662   5.423   1.499
  164    HH   TYR  25           HH       TYR  25 -12.036   8.515  -0.203
  165    H    LYS  26           H        LYS  26  -6.333   1.940   1.729
  166    HA   LYS  26           HA       LYS  26  -4.750   1.669   4.125
  167    HB2  LYS  26           1HB      LYS  26  -5.252  -0.133   1.771
  168    HB3  LYS  26           2HB      LYS  26  -4.262  -0.586   3.133
  169    HG2  LYS  26           1HG      LYS  26  -6.728  -1.291   3.089
  170    HG3  LYS  26           2HG      LYS  26  -5.982  -0.813   4.578
  171    HD2  LYS  26           1HD      LYS  26  -7.101   1.331   4.575
  172    HD3  LYS  26           2HD      LYS  26  -7.842   1.006   3.009
  173    HE2  LYS  26           1HE      LYS  26  -8.298  -0.714   5.481
  174    HE3  LYS  26           2HE      LYS  26  -9.295   0.682   5.062
  175    HZ1  LYS  26           3HZ      LYS  26  -9.818  -0.402   2.931
  176    HZ2  LYS  26           1HZ      LYS  26 -10.316  -1.303   4.204
  177    HZ3  LYS  26           2HZ      LYS  26  -8.977  -1.740   3.379
  178    H    LEU  27           H        LEU  27  -3.949   1.912   0.643
  179    HA   LEU  27           HA       LEU  27  -1.123   1.731   0.949
  180    HB2  LEU  27           1HB      LEU  27  -2.321   1.449  -1.199
  181    HB3  LEU  27           2HB      LEU  27  -2.753   3.160  -1.175
  182    HG   LEU  27           HG       LEU  27  -0.386   3.806  -1.372
  183   HD11  LEU  27          1HD1      LEU  27   0.754   1.965  -0.217
  184   HD12  LEU  27          2HD1      LEU  27   1.333   2.085  -1.873
  185   HD13  LEU  27          3HD1      LEU  27   0.179   0.805  -1.445
  186   HD21  LEU  27          3HD2      LEU  27  -1.723   3.356  -3.416
  187   HD22  LEU  27          1HD2      LEU  27  -1.143   1.675  -3.401
  188   HD23  LEU  27          2HD2      LEU  27  -0.000   3.010  -3.650
  189    H    GLN  28           H        GLN  28  -3.206   4.707   0.790
  190    HA   GLN  28           HA       GLN  28  -1.113   6.589   1.226
  191    HB2  GLN  28           1HB      GLN  28  -4.061   6.577   1.990
  192    HB3  GLN  28           2HB      GLN  28  -3.031   7.972   2.274
  193    HG2  GLN  28           1HG      GLN  28  -3.395   6.721  -0.485
  194    HG3  GLN  28           2HG      GLN  28  -4.419   7.993   0.164
  195   HE21  GLN  28          2HE2      GLN  28  -3.244   8.639  -2.163
  196   HE22  GLN  28          1HE2      GLN  28  -1.880   9.716  -1.896
  197    H    ALA  29           H        ALA  29  -3.103   4.848   3.655
  198    HA   ALA  29           HA       ALA  29  -1.789   5.878   5.963
  199    HB1  ALA  29           1HB      ALA  29  -3.953   4.697   5.990
  200    HB2  ALA  29           2HB      ALA  29  -3.141   3.180   5.545
  201    HB3  ALA  29           3HB      ALA  29  -2.794   3.950   7.106
  202    H    HIS  30           H        HIS  30  -0.734   3.299   3.739
  203    HA   HIS  30           HA       HIS  30   1.529   2.499   5.445
  204    HB2  HIS  30           1HB      HIS  30   0.502   0.836   4.043
  205    HB3  HIS  30           2HB      HIS  30   0.705   1.822   2.599
  206    HD1  HIS  30           1HD      HIS  30   2.837  -0.279   5.019
  207    HD2  HIS  30           2HD      HIS  30   3.060   1.867   1.415
  208    HE1  HIS  30           1HE      HIS  30   5.132  -0.784   4.060
  209    H    LEU  31           H        LEU  31   1.114   4.757   2.641
  210    HA   LEU  31           HA       LEU  31   3.883   5.232   2.202
  211    HB2  LEU  31           1HB      LEU  31   1.622   7.249   2.012
  212    HB3  LEU  31           2HB      LEU  31   3.226   7.444   1.333
  213    HG   LEU  31           HG       LEU  31   1.077   5.517   0.420
  214   HD11  LEU  31          1HD1      LEU  31   0.887   7.853  -0.323
  215   HD12  LEU  31          2HD1      LEU  31   1.229   6.748  -1.665
  216   HD13  LEU  31          3HD1      LEU  31   2.529   7.764  -1.002
  217   HD21  LEU  31          3HD2      LEU  31   3.194   4.294   0.233
  218   HD22  LEU  31          1HD2      LEU  31   3.945   5.694  -0.572
  219   HD23  LEU  31          2HD2      LEU  31   2.620   4.797  -1.353
  220    H    LYS  32           H        LYS  32   1.802   6.532   4.743
  221    HA   LYS  32           HA       LYS  32   3.528   8.455   5.917
  222    HB2  LYS  32           1HB      LYS  32   1.530   6.563   7.219
  223    HB3  LYS  32           2HB      LYS  32   2.287   7.939   8.027
  224    HG2  LYS  32           1HG      LYS  32   1.292   9.501   6.416
  225    HG3  LYS  32           2HG      LYS  32   0.537   8.158   5.540
  226    HD2  LYS  32           1HD      LYS  32  -0.716   7.528   7.600
  227    HD3  LYS  32           2HD      LYS  32  -0.037   8.925   8.441
  228    HE2  LYS  32           1HE      LYS  32  -1.730   9.056   5.897
  229    HE3  LYS  32           2HE      LYS  32  -2.373   9.238   7.533
  230    HZ1  LYS  32           3HZ      LYS  32  -1.941  11.396   6.549
  231    HZ2  LYS  32           1HZ      LYS  32  -0.371  11.048   6.290
  232    HZ3  LYS  32           2HZ      LYS  32  -0.940  11.190   7.818
  233    H    VAL  33           H        VAL  33   3.808   4.951   6.000
  234    HA   VAL  33           HA       VAL  33   5.588   4.808   8.264
  235    HB   VAL  33           HB       VAL  33   4.132   2.981   6.874
  236   HG11  VAL  33          1HG1      VAL  33   6.995   2.275   6.097
  237   HG12  VAL  33          2HG1      VAL  33   5.523   1.340   5.804
  238   HG13  VAL  33          3HG1      VAL  33   5.769   2.872   4.960
  239   HG21  VAL  33          3HG2      VAL  33   5.183   1.275   8.210
  240   HG22  VAL  33          1HG2      VAL  33   6.556   2.360   8.566
  241   HG23  VAL  33          2HG2      VAL  33   4.915   2.752   9.148
  242    H    HIS  34           H        HIS  34   6.074   5.674   4.948
  243    HA   HIS  34           HA       HIS  34   9.029   5.414   5.119
  244    HB2  HIS  34           1HB      HIS  34   7.210   6.181   2.805
  245    HB3  HIS  34           2HB      HIS  34   8.955   5.968   2.724
  246    HD1  HIS  34           1HD      HIS  34   9.703   3.296   3.650
  247    HD2  HIS  34           2HD      HIS  34   5.902   4.083   2.028
  248    HE1  HIS  34           1HE      HIS  34   8.808   1.048   2.879
  249    H    THR  35           H        THR  35   6.504   7.956   5.031
  250    HA   THR  35           HA       THR  35   8.494  10.093   4.740
  251    HB   THR  35           HB       THR  35   6.611  11.629   4.993
  252    HG1  THR  35           1HG      THR  35   4.548  10.810   5.185
  253   HG21  THR  35          3HG2      THR  35   5.960   9.362   3.057
  254   HG22  THR  35          1HG2      THR  35   7.130  10.666   2.755
  255   HG23  THR  35          2HG2      THR  35   5.411  11.048   2.952
  256    H    ALA  36           H        ALA  36   6.771   8.611   7.480
  257    HA   ALA  36           HA       ALA  36   7.783  10.555   9.406
  258    HB1  ALA  36           1HB      ALA  36   6.878   9.004  11.071
  259    HB2  ALA  36           2HB      ALA  36   5.693   9.296   9.783
  260    HB3  ALA  36           3HB      ALA  36   6.614   7.774   9.817
  261    H    LEU  37           H        LEU  37   9.517  10.381  10.768
  262    HA   LEU  37           HA       LEU  37  11.564   8.264  10.207
  263    HB2  LEU  37           1HB      LEU  37  11.951  11.224  10.772
  264    HB3  LEU  37           2HB      LEU  37  13.249  10.055  10.564
  265    HG   LEU  37           HG       LEU  37  11.246  10.826   8.398
  266   HD11  LEU  37          1HD1      LEU  37  14.186  11.537   8.749
  267   HD12  LEU  37          2HD1      LEU  37  12.810  12.640   8.974
  268   HD13  LEU  37          3HD1      LEU  37  13.153  11.975   7.368
  269   HD21  LEU  37          3HD2      LEU  37  12.804   9.635   6.873
  270   HD22  LEU  37          1HD2      LEU  37  12.075   8.533   8.041
  271   HD23  LEU  37          2HD2      LEU  37  13.750   9.082   8.275
  272    H    ASP  38           H        ASP  38   9.496   9.049  12.572
  273    HA   ASP  38           HA       ASP  38  11.201   7.979  14.738
  274    HB2  ASP  38           1HB      ASP  38  11.441  10.423  14.922
  275    HB3  ASP  38           2HB      ASP  38   9.692  10.613  14.949
  Start of MODEL   12
    1    H1   GLY   1           1H       GLY   1 -10.395 -21.419 -17.361
    2    H2   GLY   1           2H       GLY   1  -9.174 -22.136 -16.536
    3    H3   GLY   1           3H       GLY   1  -8.859 -20.891 -17.556
    4    HA2  GLY   1           1HA      GLY   1 -10.415 -20.714 -15.056
    5    HA3  GLY   1           2HA      GLY   1  -8.756 -20.129 -15.278
    6    H    SER   2           H        SER   2  -9.618 -18.054 -14.571
    7    HA   SER   2           HA       SER   2 -10.495 -16.379 -16.840
    8    HB2  SER   2           1HB      SER   2 -12.610 -17.059 -15.767
    9    HB3  SER   2           2HB      SER   2 -12.018 -16.466 -14.204
   10    HG   SER   2           HG       SER   2 -13.382 -14.977 -15.425
   11    H    SER   3           H        SER   3  -9.974 -14.201 -16.617
   12    HA   SER   3           HA       SER   3  -7.955 -13.452 -14.594
   13    HB2  SER   3           1HB      SER   3  -7.745 -11.406 -15.971
   14    HB3  SER   3           2HB      SER   3  -7.482 -12.894 -16.894
   15    HG   SER   3           HG       SER   3  -8.858 -11.407 -17.996
   16    H    GLY   4           H        GLY   4 -11.343 -13.337 -14.788
   17    HA2  GLY   4           1HA      GLY   4 -11.949 -10.762 -13.716
   18    HA3  GLY   4           2HA      GLY   4 -12.984 -12.184 -13.646
   19    H    SER   5           H        SER   5 -12.247  -9.994 -11.683
   20    HA   SER   5           HA       SER   5 -12.057 -11.645  -9.265
   21    HB2  SER   5           1HB      SER   5  -9.667 -11.211  -9.943
   22    HB3  SER   5           2HB      SER   5  -9.986  -9.473  -9.795
   23    HG   SER   5           HG       SER   5  -9.081 -10.370  -7.880
   24    H    SER   6           H        SER   6 -12.376 -10.308  -7.295
   25    HA   SER   6           HA       SER   6 -14.493  -8.356  -7.569
   26    HB2  SER   6           1HB      SER   6 -12.823  -9.090  -5.134
   27    HB3  SER   6           2HB      SER   6 -14.368  -8.216  -5.128
   28    HG   SER   6           HG       SER   6 -14.636 -10.460  -4.694
   29    H    GLY   7           H        GLY   7 -11.059  -8.002  -7.646
   30    HA2  GLY   7           1HA      GLY   7 -11.143  -5.211  -8.194
   31    HA3  GLY   7           2HA      GLY   7 -10.620  -5.442  -6.522
   32    H    ILE   8           H        ILE   8  -8.793  -4.247  -7.797
   33    HA   ILE   8           HA       ILE   8  -6.680  -6.247  -8.434
   34    HB   ILE   8           HB       ILE   8  -5.670  -4.719 -10.041
   35   HG12  ILE   8          1HG1      ILE   8  -8.276  -3.129  -9.942
   36   HG13  ILE   8          2HG1      ILE   8  -6.734  -2.593  -9.266
   37   HG21  ILE   8          1HG2      ILE   8  -7.072  -5.359 -11.904
   38   HG22  ILE   8          2HG2      ILE   8  -7.142  -6.641 -10.696
   39   HG23  ILE   8          3HG2      ILE   8  -8.498  -5.504 -10.855
   40   HD11  ILE   8          3HD1      ILE   8  -7.022  -1.543 -11.405
   41   HD12  ILE   8          1HD1      ILE   8  -5.710  -2.734 -11.543
   42   HD13  ILE   8          2HD1      ILE   8  -7.324  -3.095 -12.204
   43    H    LEU   9           H        LEU   9  -4.569  -5.717  -7.790
   44    HA   LEU   9           HA       LEU   9  -4.566  -4.089  -5.349
   45    HB2  LEU   9           1HB      LEU   9  -2.691  -6.168  -6.493
   46    HB3  LEU   9           2HB      LEU   9  -2.188  -5.087  -5.201
   47    HG   LEU   9           HG       LEU   9  -4.102  -5.831  -3.804
   48   HD11  LEU   9          1HD1      LEU   9  -4.472  -7.936  -5.971
   49   HD12  LEU   9          2HD1      LEU   9  -5.673  -6.734  -5.430
   50   HD13  LEU   9          3HD1      LEU   9  -5.170  -8.021  -4.339
   51   HD21  LEU   9          3HD2      LEU   9  -1.860  -6.772  -3.520
   52   HD22  LEU   9          1HD2      LEU   9  -2.206  -8.017  -4.741
   53   HD23  LEU   9          2HD2      LEU   9  -3.093  -7.995  -3.200
   54    H    LEU  10           H        LEU  10  -3.432  -2.407  -4.873
   55    HA   LEU  10           HA       LEU  10  -1.872  -0.881  -6.889
   56    HB2  LEU  10           1HB      LEU  10  -2.760  -0.115  -4.081
   57    HB3  LEU  10           2HB      LEU  10  -2.098   0.957  -5.315
   58    HG   LEU  10           HG       LEU  10  -4.816  -0.434  -5.473
   59   HD11  LEU  10          1HD1      LEU  10  -5.733   1.791  -5.033
   60   HD12  LEU  10          2HD1      LEU  10  -4.091   2.450  -4.835
   61   HD13  LEU  10          3HD1      LEU  10  -4.719   1.237  -3.692
   62   HD21  LEU  10          3HD2      LEU  10  -3.893   0.059  -7.713
   63   HD22  LEU  10          1HD2      LEU  10  -3.569   1.739  -7.217
   64   HD23  LEU  10          2HD2      LEU  10  -5.239   1.141  -7.329
   65    H    LYS  11           H        LYS  11   0.280  -0.153  -6.258
   66    HA   LYS  11           HA       LYS  11   1.644  -1.872  -4.205
   67    HB2  LYS  11           1HB      LYS  11   2.650  -1.093  -6.968
   68    HB3  LYS  11           2HB      LYS  11   3.600  -1.903  -5.719
   69    HG2  LYS  11           1HG      LYS  11   2.013  -3.826  -5.750
   70    HG3  LYS  11           2HG      LYS  11   1.069  -3.021  -7.008
   71    HD2  LYS  11           1HD      LYS  11   2.453  -4.678  -8.047
   72    HD3  LYS  11           2HD      LYS  11   3.042  -3.080  -8.524
   73    HE2  LYS  11           1HE      LYS  11   4.859  -3.244  -6.833
   74    HE3  LYS  11           2HE      LYS  11   4.238  -4.815  -6.310
   75    HZ1  LYS  11           3HZ      LYS  11   4.719  -5.670  -8.544
   76    HZ2  LYS  11           1HZ      LYS  11   6.077  -5.062  -7.877
   77    HZ3  LYS  11           2HZ      LYS  11   5.289  -4.216  -9.027
   78    H    CYS  12           H        CYS  12   3.301  -1.049  -3.044
   79    HA   CYS  12           HA       CYS  12   3.460   1.785  -2.601
   80    HB2  CYS  12           1HB      CYS  12   3.763   0.008  -0.913
   81    HB3  CYS  12           2HB      CYS  12   5.271  -0.477  -1.713
   82    HA   PRO  13           HA       PRO  13   6.526   2.422  -5.883
   83    HB2  PRO  13           1HB      PRO  13   6.756   5.113  -5.810
   84    HB3  PRO  13           2HB      PRO  13   5.206   4.328  -6.244
   85    HG2  PRO  13           1HG      PRO  13   6.046   5.397  -3.522
   86    HG3  PRO  13           2HG      PRO  13   4.532   5.743  -4.423
   87    HD2  PRO  13           1HD      PRO  13   4.725   3.784  -2.496
   88    HD3  PRO  13           2HD      PRO  13   3.639   3.638  -3.914
   89    H    THR  14           H        THR  14   7.203   2.680  -2.563
   90    HA   THR  14           HA       THR  14   9.644   4.216  -2.675
   91    HB   THR  14           HB       THR  14   8.715   2.421  -0.410
   92    HG1  THR  14           1HG      THR  14   7.083   3.807  -0.746
   93   HG21  THR  14          3HG2      THR  14   9.901   4.117   0.984
   94   HG22  THR  14          1HG2      THR  14  10.498   4.898  -0.493
   95   HG23  THR  14          2HG2      THR  14  11.002   3.241  -0.076
   96    H    ASP  15           H        ASP  15  11.779   3.620  -2.697
   97    HA   ASP  15           HA       ASP  15  12.538   1.106  -3.805
   98    HB2  ASP  15           1HB      ASP  15  13.810   3.174  -4.127
   99    HB3  ASP  15           2HB      ASP  15  14.196   3.233  -2.404
  100    H    GLY  16           H        GLY  16  13.228  -0.780  -2.949
  101    HA2  GLY  16           1HA      GLY  16  13.815  -2.406  -1.419
  102    HA3  GLY  16           2HA      GLY  16  14.009  -1.170  -0.175
  103    H    CYS  17           H        CYS  17  10.944  -0.608  -1.235
  104    HA   CYS  17           HA       CYS  17   9.649  -2.324   0.807
  105    HB2  CYS  17           1HB      CYS  17   9.411   0.179   0.741
  106    HB3  CYS  17           2HB      CYS  17   8.481  -0.018  -0.754
  107    H    ASP  18           H        ASP  18   7.810  -3.513   0.328
  108    HA   ASP  18           HA       ASP  18   7.447  -4.463  -2.483
  109    HB2  ASP  18           1HB      ASP  18   9.176  -5.810  -1.222
  110    HB3  ASP  18           2HB      ASP  18   7.910  -6.281  -0.092
  111    H    TYR  19           H        TYR  19   5.859  -3.007  -0.184
  112    HA   TYR  19           HA       TYR  19   3.639  -4.704   0.481
  113    HB2  TYR  19           1HB      TYR  19   4.357  -2.906   1.906
  114    HB3  TYR  19           2HB      TYR  19   4.137  -1.726   0.635
  115    HD1  TYR  19           2HD      TYR  19   2.440  -3.861   3.135
  116    HD2  TYR  19           1HD      TYR  19   1.877  -0.887   0.057
  117    HE1  TYR  19           2HE      TYR  19   0.133  -3.433   3.965
  118    HE2  TYR  19           1HE      TYR  19  -0.412  -0.440   0.915
  119    HH   TYR  19           HH       TYR  19  -1.780  -2.209   3.714
  120    H    SER  20           H        SER  20   1.614  -4.885  -0.307
  121    HA   SER  20           HA       SER  20   0.609  -3.104  -2.398
  122    HB2  SER  20           1HB      SER  20  -0.115  -4.966  -3.859
  123    HB3  SER  20           2HB      SER  20   1.649  -4.836  -3.736
  124    HG   SER  20           HG       SER  20   0.996  -7.001  -3.530
  125    H    THR  21           H        THR  21  -1.653  -3.098  -2.649
  126    HA   THR  21           HA       THR  21  -3.385  -4.728  -0.941
  127    HB   THR  21           HB       THR  21  -2.614  -3.180   0.732
  128    HG1  THR  21           1HG      THR  21  -4.546  -2.484   1.397
  129   HG21  THR  21          3HG2      THR  21  -2.972  -0.776   0.635
  130   HG22  THR  21          1HG2      THR  21  -3.650  -0.890  -0.998
  131   HG23  THR  21          2HG2      THR  21  -1.935  -1.250  -0.720
  132    HA   PRO  22           HA       PRO  22  -6.196  -3.215  -4.158
  133    HB2  PRO  22           1HB      PRO  22  -8.571  -4.236  -3.347
  134    HB3  PRO  22           2HB      PRO  22  -7.240  -5.282  -3.926
  135    HG2  PRO  22           1HG      PRO  22  -7.963  -4.613  -1.053
  136    HG3  PRO  22           2HG      PRO  22  -7.670  -6.231  -1.769
  137    HD2  PRO  22           1HD      PRO  22  -5.742  -4.830  -0.426
  138    HD3  PRO  22           2HD      PRO  22  -5.340  -5.891  -1.798
  139    H    ASP  23           H        ASP  23  -6.161  -2.128  -0.910
  140    HA   ASP  23           HA       ASP  23  -8.405  -0.195  -1.271
  141    HB2  ASP  23           1HB      ASP  23  -6.927  -1.360   1.077
  142    HB3  ASP  23           2HB      ASP  23  -7.900   0.083   1.271
  143    H    LYS  24           H        LYS  24  -7.825   1.710  -2.123
  144    HA   LYS  24           HA       LYS  24  -5.237   2.855  -2.107
  145    HB2  LYS  24           1HB      LYS  24  -6.259   4.863  -2.942
  146    HB3  LYS  24           2HB      LYS  24  -7.016   3.460  -3.687
  147    HG2  LYS  24           1HG      LYS  24  -8.952   3.703  -2.083
  148    HG3  LYS  24           2HG      LYS  24  -8.190   5.176  -1.448
  149    HD2  LYS  24           1HD      LYS  24  -8.276   6.196  -3.703
  150    HD3  LYS  24           2HD      LYS  24  -9.062   4.728  -4.332
  151    HE2  LYS  24           1HE      LYS  24 -10.931   5.064  -2.713
  152    HE3  LYS  24           2HE      LYS  24 -10.143   6.534  -2.127
  153    HZ1  LYS  24           3HZ      LYS  24 -11.849   7.050  -3.763
  154    HZ2  LYS  24           1HZ      LYS  24 -11.131   6.123  -4.900
  155    HZ3  LYS  24           2HZ      LYS  24 -10.393   7.481  -4.360
  156    H    TYR  25           H        TYR  25  -7.808   3.280   0.290
  157    HA   TYR  25           HA       TYR  25  -6.470   5.355   1.776
  158    HB2  TYR  25           1HB      TYR  25  -8.596   3.374   2.669
  159    HB3  TYR  25           2HB      TYR  25  -8.145   4.858   3.500
  160    HD1  TYR  25           2HD      TYR  25  -8.359   7.096   2.155
  161    HD2  TYR  25           1HD      TYR  25 -10.345   3.426   1.045
  162    HE1  TYR  25           2HE      TYR  25 -10.034   8.396   0.856
  163    HE2  TYR  25           1HE      TYR  25 -12.022   4.733  -0.252
  164    HH   TYR  25           HH       TYR  25 -11.920   8.310  -0.447
  165    H    LYS  26           H        LYS  26  -6.285   1.813   1.909
  166    HA   LYS  26           HA       LYS  26  -4.639   1.736   4.341
  167    HB2  LYS  26           1HB      LYS  26  -5.212  -0.355   2.207
  168    HB3  LYS  26           2HB      LYS  26  -4.265  -0.639   3.659
  169    HG2  LYS  26           1HG      LYS  26  -6.226   0.004   5.075
  170    HG3  LYS  26           2HG      LYS  26  -7.192   0.188   3.602
  171    HD2  LYS  26           1HD      LYS  26  -6.622  -2.237   3.053
  172    HD3  LYS  26           2HD      LYS  26  -5.918  -2.375   4.665
  173    HE2  LYS  26           1HE      LYS  26  -7.999  -2.089   5.746
  174    HE3  LYS  26           2HE      LYS  26  -8.722  -1.283   4.347
  175    HZ1  LYS  26           3HZ      LYS  26  -8.021  -4.162   4.383
  176    HZ2  LYS  26           1HZ      LYS  26  -8.755  -3.343   3.155
  177    HZ3  LYS  26           2HZ      LYS  26  -9.532  -3.565   4.578
  178    H    LEU  27           H        LEU  27  -4.003   1.771   0.810
  179    HA   LEU  27           HA       LEU  27  -1.157   1.662   1.081
  180    HB2  LEU  27           1HB      LEU  27  -2.343   1.305  -1.058
  181    HB3  LEU  27           2HB      LEU  27  -2.833   2.997  -1.069
  182    HG   LEU  27           HG       LEU  27  -0.500   3.730  -1.282
  183   HD11  LEU  27          1HD1      LEU  27   0.205   0.758  -1.289
  184   HD12  LEU  27          2HD1      LEU  27   0.720   1.965  -0.080
  185   HD13  LEU  27          3HD1      LEU  27   1.305   2.080  -1.737
  186   HD21  LEU  27          3HD2      LEU  27  -1.823   3.151  -3.307
  187   HD22  LEU  27          1HD2      LEU  27  -1.141   1.508  -3.247
  188   HD23  LEU  27          2HD2      LEU  27  -0.081   2.903  -3.535
  189    H    GLN  28           H        GLN  28  -3.349   4.544   0.966
  190    HA   GLN  28           HA       GLN  28  -1.391   6.552   1.347
  191    HB2  GLN  28           1HB      GLN  28  -4.274   6.284   2.289
  192    HB3  GLN  28           2HB      GLN  28  -3.316   7.740   2.597
  193    HG2  GLN  28           1HG      GLN  28  -2.929   8.089   0.269
  194    HG3  GLN  28           2HG      GLN  28  -3.723   6.596  -0.197
  195   HE21  GLN  28          1HE2      GLN  28  -4.762   8.596  -1.543
  196   HE22  GLN  28          2HE2      GLN  28  -6.271   9.159  -0.839
  197    H    ALA  29           H        ALA  29  -3.110   4.700   3.844
  198    HA   ALA  29           HA       ALA  29  -1.682   5.711   6.088
  199    HB1  ALA  29           1HB      ALA  29  -3.851   4.542   6.212
  200    HB2  ALA  29           2HB      ALA  29  -3.062   3.019   5.744
  201    HB3  ALA  29           3HB      ALA  29  -2.651   3.797   7.284
  202    H    HIS  30           H        HIS  30  -0.590   3.387   3.721
  203    HA   HIS  30           HA       HIS  30   1.736   2.515   5.373
  204    HB2  HIS  30           1HB      HIS  30   0.552   0.818   4.111
  205    HB3  HIS  30           2HB      HIS  30   0.706   1.745   2.618
  206    HD1  HIS  30           1HD      HIS  30   2.901  -0.296   5.035
  207    HD2  HIS  30           2HD      HIS  30   3.024   1.720   1.348
  208    HE1  HIS  30           1HE      HIS  30   5.171  -0.828   4.035
  209    H    LEU  31           H        LEU  31   1.061   4.692   2.570
  210    HA   LEU  31           HA       LEU  31   3.795   5.144   1.886
  211    HB2  LEU  31           1HB      LEU  31   1.364   6.936   1.680
  212    HB3  LEU  31           2HB      LEU  31   2.922   7.352   0.980
  213    HG   LEU  31           HG       LEU  31   1.324   4.879   0.193
  214   HD11  LEU  31          1HD1      LEU  31   1.642   7.542  -1.238
  215   HD12  LEU  31          2HD1      LEU  31   0.164   6.968  -0.436
  216   HD13  LEU  31          3HD1      LEU  31   0.783   6.110  -1.853
  217   HD21  LEU  31          3HD2      LEU  31   2.811   4.842  -1.758
  218   HD22  LEU  31          1HD2      LEU  31   3.700   4.570  -0.259
  219   HD23  LEU  31          2HD2      LEU  31   3.777   6.161  -1.057
  220    H    LYS  32           H        LYS  32   1.808   6.719   4.408
  221    HA   LYS  32           HA       LYS  32   3.739   8.665   5.189
  222    HB2  LYS  32           1HB      LYS  32   2.538   8.825   7.300
  223    HB3  LYS  32           2HB      LYS  32   1.459   8.879   5.908
  224    HG2  LYS  32           1HG      LYS  32   0.623   6.690   6.317
  225    HG3  LYS  32           2HG      LYS  32   1.925   6.305   7.461
  226    HD2  LYS  32           1HD      LYS  32   1.071   7.937   9.068
  227    HD3  LYS  32           2HD      LYS  32  -0.153   8.484   7.922
  228    HE2  LYS  32           1HE      LYS  32  -1.100   7.044   9.669
  229    HE3  LYS  32           2HE      LYS  32  -1.348   6.384   8.056
  230    HZ1  LYS  32           3HZ      LYS  32   0.393   4.795   8.435
  231    HZ2  LYS  32           1HZ      LYS  32  -0.607   4.718   9.720
  232    HZ3  LYS  32           2HZ      LYS  32   0.826   5.481   9.874
  233    H    VAL  33           H        VAL  33   3.789   5.249   5.831
  234    HA   VAL  33           HA       VAL  33   5.524   5.140   8.095
  235    HB   VAL  33           HB       VAL  33   5.308   3.233   5.731
  236   HG11  VAL  33          1HG1      VAL  33   6.152   2.685   8.572
  237   HG12  VAL  33          2HG1      VAL  33   5.846   1.473   7.296
  238   HG13  VAL  33          3HG1      VAL  33   7.181   2.623   7.114
  239   HG21  VAL  33          3HG2      VAL  33   3.749   3.165   8.362
  240   HG22  VAL  33          1HG2      VAL  33   3.050   3.663   6.813
  241   HG23  VAL  33          2HG2      VAL  33   3.624   2.010   7.012
  242    H    HIS  34           H        HIS  34   6.114   5.852   4.698
  243    HA   HIS  34           HA       HIS  34   9.046   5.621   4.973
  244    HB2  HIS  34           1HB      HIS  34   7.296   6.241   2.569
  245    HB3  HIS  34           2HB      HIS  34   9.025   5.907   2.545
  246    HD1  HIS  34           1HD      HIS  34   9.489   3.299   3.915
  247    HD2  HIS  34           2HD      HIS  34   5.916   4.157   1.858
  248    HE1  HIS  34           1HE      HIS  34   8.462   1.047   3.342
  249    H    THR  35           H        THR  35   6.749   8.134   5.390
  250    HA   THR  35           HA       THR  35   8.793  10.240   4.763
  251    HB   THR  35           HB       THR  35   6.955  11.772   4.356
  252    HG1  THR  35           1HG      THR  35   4.862  10.998   4.256
  253   HG21  THR  35          3HG2      THR  35   6.574   9.233   2.710
  254   HG22  THR  35          1HG2      THR  35   7.867  10.427   2.453
  255   HG23  THR  35          2HG2      THR  35   6.172  10.897   2.235
  256    H    ALA  36           H        ALA  36   6.699   9.020   7.322
  257    HA   ALA  36           HA       ALA  36   6.858  11.323   9.017
  258    HB1  ALA  36           1HB      ALA  36   5.169   9.561   9.277
  259    HB2  ALA  36           2HB      ALA  36   6.437   8.385   9.694
  260    HB3  ALA  36           3HB      ALA  36   6.108   9.760  10.769
  261    H    LEU  37           H        LEU  37   8.124  11.726  10.866
  262    HA   LEU  37           HA       LEU  37  10.468  10.192  11.516
  263    HB2  LEU  37           1HB      LEU  37  12.131  11.755  11.002
  264    HB3  LEU  37           2HB      LEU  37  11.220  11.544   9.523
  265    HG   LEU  37           HG       LEU  37  11.037  13.936  11.419
  266   HD11  LEU  37          1HD1      LEU  37  12.276  13.656   8.652
  267   HD12  LEU  37          2HD1      LEU  37  13.167  13.771  10.187
  268   HD13  LEU  37          3HD1      LEU  37  12.198  15.142   9.627
  269   HD21  LEU  37          3HD2      LEU  37   9.822  15.050   9.531
  270   HD22  LEU  37          1HD2      LEU  37   8.898  13.745  10.266
  271   HD23  LEU  37          2HD2      LEU  37   9.717  13.477   8.708
  272    H    ASP  38           H        ASP  38  11.521  11.004  13.362
  273    HA   ASP  38           HA       ASP  38  10.202  13.042  15.067
  274    HB2  ASP  38           1HB      ASP  38   9.076  10.925  15.614
  275    HB3  ASP  38           2HB      ASP  38  10.628  10.152  15.911
  Start of MODEL   13
    1    H1   GLY   1           1H       GLY   1   1.795 -16.034 -13.473
    2    H2   GLY   1           2H       GLY   1   1.638 -15.043 -12.178
    3    H3   GLY   1           3H       GLY   1   1.034 -14.592 -13.632
    4    HA2  GLY   1           1HA      GLY   1  -0.574 -16.386 -13.595
    5    HA3  GLY   1           2HA      GLY   1   0.071 -16.858 -12.011
    6    H    SER   2           H        SER   2  -2.136 -16.585 -11.246
    7    HA   SER   2           HA       SER   2  -2.645 -13.859 -10.230
    8    HB2  SER   2           1HB      SER   2  -3.916 -13.901 -12.326
    9    HB3  SER   2           2HB      SER   2  -4.702 -15.417 -11.846
   10    HG   SER   2           HG       SER   2  -5.925 -13.441 -11.436
   11    H    SER   3           H        SER   3  -3.843 -13.806  -8.352
   12    HA   SER   3           HA       SER   3  -4.187 -16.299  -6.820
   13    HB2  SER   3           1HB      SER   3  -4.744 -13.410  -6.060
   14    HB3  SER   3           2HB      SER   3  -4.766 -14.804  -4.964
   15    HG   SER   3           HG       SER   3  -2.763 -13.682  -4.894
   16    H    GLY   4           H        GLY   4  -6.115 -14.778  -9.096
   17    HA2  GLY   4           1HA      GLY   4  -8.313 -15.159  -9.700
   18    HA3  GLY   4           2HA      GLY   4  -8.537 -16.186  -8.283
   19    H    SER   5           H        SER   5  -7.341 -12.954  -7.762
   20    HA   SER   5           HA       SER   5  -9.382 -12.229  -5.954
   21    HB2  SER   5           1HB      SER   5  -7.415 -10.410  -7.395
   22    HB3  SER   5           2HB      SER   5  -8.271 -10.057  -5.881
   23    HG   SER   5           HG       SER   5  -6.152 -10.822  -5.488
   24    H    SER   6           H        SER   6 -10.930 -10.536  -5.969
   25    HA   SER   6           HA       SER   6 -12.528 -10.336  -8.366
   26    HB2  SER   6           1HB      SER   6 -13.986  -8.929  -6.922
   27    HB3  SER   6           2HB      SER   6 -13.571 -10.496  -6.207
   28    HG   SER   6           HG       SER   6 -13.351  -8.756  -4.707
   29    H    GLY   7           H        GLY   7  -9.884  -8.453  -7.306
   30    HA2  GLY   7           1HA      GLY   7 -10.091  -6.667  -9.581
   31    HA3  GLY   7           2HA      GLY   7 -10.278  -5.825  -8.038
   32    H    ILE   8           H        ILE   8  -8.189  -5.089  -9.574
   33    HA   ILE   8           HA       ILE   8  -5.767  -6.584  -8.932
   34    HB   ILE   8           HB       ILE   8  -4.587  -4.896 -10.218
   35   HG12  ILE   8          1HG1      ILE   8  -7.307  -3.620 -10.770
   36   HG13  ILE   8          2HG1      ILE   8  -6.055  -2.933  -9.731
   37   HG21  ILE   8          1HG2      ILE   8  -5.406  -5.629 -12.376
   38   HG22  ILE   8          2HG2      ILE   8  -5.599  -6.952 -11.228
   39   HG23  ILE   8          3HG2      ILE   8  -7.011  -5.988 -11.709
   40   HD11  ILE   8          3HD1      ILE   8  -5.932  -1.854 -11.870
   41   HD12  ILE   8          1HD1      ILE   8  -4.494  -2.878 -11.680
   42   HD13  ILE   8          2HD1      ILE   8  -5.838  -3.401 -12.723
   43    H    LEU   9           H        LEU   9  -4.069  -5.910  -7.775
   44    HA   LEU   9           HA       LEU   9  -4.617  -4.131  -5.485
   45    HB2  LEU   9           1HB      LEU   9  -2.479  -6.198  -6.096
   46    HB3  LEU   9           2HB      LEU   9  -2.283  -5.015  -4.809
   47    HG   LEU   9           HG       LEU   9  -4.380  -5.768  -3.756
   48   HD11  LEU   9          1HD1      LEU   9  -5.264  -8.037  -4.317
   49   HD12  LEU   9          2HD1      LEU   9  -4.291  -8.018  -5.803
   50   HD13  LEU   9          3HD1      LEU   9  -5.608  -6.842  -5.561
   51   HD21  LEU   9          3HD2      LEU   9  -2.204  -6.587  -2.994
   52   HD22  LEU   9          1HD2      LEU   9  -2.274  -7.918  -4.172
   53   HD23  LEU   9          2HD2      LEU   9  -3.433  -7.843  -2.824
   54    H    LEU  10           H        LEU  10  -3.451  -2.422  -4.874
   55    HA   LEU  10           HA       LEU  10  -1.749  -0.966  -6.823
   56    HB2  LEU  10           1HB      LEU  10  -2.661  -0.151  -4.038
   57    HB3  LEU  10           2HB      LEU  10  -1.977   0.886  -5.289
   58    HG   LEU  10           HG       LEU  10  -4.729  -0.435  -5.399
   59   HD11  LEU  10          1HD1      LEU  10  -5.579   1.831  -5.019
   60   HD12  LEU  10          2HD1      LEU  10  -3.918   2.451  -4.872
   61   HD13  LEU  10          3HD1      LEU  10  -4.557   1.301  -3.673
   62   HD21  LEU  10          3HD2      LEU  10  -5.122   1.090  -7.308
   63   HD22  LEU  10          1HD2      LEU  10  -3.811  -0.045  -7.661
   64   HD23  LEU  10          2HD2      LEU  10  -3.432   1.639  -7.227
   65    H    LYS  11           H        LYS  11   0.444  -0.367  -6.171
   66    HA   LYS  11           HA       LYS  11   1.554  -1.848  -3.826
   67    HB2  LYS  11           1HB      LYS  11   2.900  -1.561  -6.539
   68    HB3  LYS  11           2HB      LYS  11   3.614  -2.216  -5.068
   69    HG2  LYS  11           1HG      LYS  11   1.409  -3.801  -5.204
   70    HG3  LYS  11           2HG      LYS  11   1.607  -3.450  -6.919
   71    HD2  LYS  11           1HD      LYS  11   3.675  -4.671  -5.033
   72    HD3  LYS  11           2HD      LYS  11   2.756  -5.529  -6.276
   73    HE2  LYS  11           1HE      LYS  11   3.867  -4.206  -8.045
   74    HE3  LYS  11           2HE      LYS  11   4.752  -3.284  -6.820
   75    HZ1  LYS  11           3HZ      LYS  11   5.025  -6.208  -7.252
   76    HZ2  LYS  11           1HZ      LYS  11   5.828  -5.353  -6.109
   77    HZ3  LYS  11           2HZ      LYS  11   6.118  -5.078  -7.694
   78    H    CYS  12           H        CYS  12   3.284  -1.039  -2.790
   79    HA   CYS  12           HA       CYS  12   3.497   1.801  -2.493
   80    HB2  CYS  12           1HB      CYS  12   3.734   0.094  -0.734
   81    HB3  CYS  12           2HB      CYS  12   5.237  -0.475  -1.493
   82    HA   PRO  13           HA       PRO  13   6.606   2.268  -5.740
   83    HB2  PRO  13           1HB      PRO  13   6.858   4.951  -5.793
   84    HB3  PRO  13           2HB      PRO  13   5.293   4.165  -6.165
   85    HG2  PRO  13           1HG      PRO  13   6.187   5.357  -3.513
   86    HG3  PRO  13           2HG      PRO  13   4.660   5.664  -4.401
   87    HD2  PRO  13           1HD      PRO  13   4.899   3.795  -2.383
   88    HD3  PRO  13           2HD      PRO  13   3.761   3.605  -3.755
   89    H    THR  14           H        THR  14   7.317   2.916  -2.407
   90    HA   THR  14           HA       THR  14   9.802   4.291  -2.708
   91    HB   THR  14           HB       THR  14   8.833   2.662  -0.335
   92    HG1  THR  14           1HG      THR  14   8.503   5.415  -0.962
   93   HG21  THR  14          3HG2      THR  14  11.156   3.295   0.007
   94   HG22  THR  14          1HG2      THR  14  10.138   4.355   0.981
   95   HG23  THR  14          2HG2      THR  14  10.833   4.960  -0.538
   96    H    ASP  15           H        ASP  15  11.945   3.660  -2.613
   97    HA   ASP  15           HA       ASP  15  12.660   1.184  -3.789
   98    HB2  ASP  15           1HB      ASP  15  13.999   3.229  -3.968
   99    HB3  ASP  15           2HB      ASP  15  14.348   3.178  -2.237
  100    H    GLY  16           H        GLY  16  13.298  -0.761  -3.040
  101    HA2  GLY  16           1HA      GLY  16  13.803  -2.492  -1.600
  102    HA3  GLY  16           2HA      GLY  16  13.999  -1.342  -0.279
  103    H    CYS  17           H        CYS  17  10.966  -0.678  -1.432
  104    HA   CYS  17           HA       CYS  17   9.593  -2.484   0.490
  105    HB2  CYS  17           1HB      CYS  17   9.546   0.058   0.667
  106    HB3  CYS  17           2HB      CYS  17   8.543   0.039  -0.798
  107    H    ASP  18           H        ASP  18   7.786  -3.622  -0.108
  108    HA   ASP  18           HA       ASP  18   6.871  -3.692  -2.906
  109    HB2  ASP  18           1HB      ASP  18   8.804  -5.314  -2.718
  110    HB3  ASP  18           2HB      ASP  18   7.840  -6.244  -1.570
  111    H    TYR  19           H        TYR  19   5.790  -2.917  -0.247
  112    HA   TYR  19           HA       TYR  19   3.689  -4.688   0.567
  113    HB2  TYR  19           1HB      TYR  19   4.397  -2.890   1.987
  114    HB3  TYR  19           2HB      TYR  19   4.128  -1.696   0.735
  115    HD1  TYR  19           1HD      TYR  19   1.843  -0.915   0.169
  116    HD2  TYR  19           2HD      TYR  19   2.522  -3.805   3.303
  117    HE1  TYR  19           1HE      TYR  19  -0.451  -0.521   1.034
  118    HE2  TYR  19           2HE      TYR  19   0.214  -3.420   4.151
  119    HH   TYR  19           HH       TYR  19  -1.746  -2.268   3.882
  120    H    SER  20           H        SER  20   1.572  -4.879  -0.061
  121    HA   SER  20           HA       SER  20   0.519  -3.230  -2.260
  122    HB2  SER  20           1HB      SER  20  -0.227  -5.173  -3.547
  123    HB3  SER  20           2HB      SER  20   1.542  -5.129  -3.399
  124    HG   SER  20           HG       SER  20   0.756  -7.230  -3.009
  125    H    THR  21           H        THR  21  -1.696  -3.160  -2.495
  126    HA   THR  21           HA       THR  21  -3.517  -4.645  -0.762
  127    HB   THR  21           HB       THR  21  -2.768  -3.034   0.869
  128    HG1  THR  21           1HG      THR  21  -4.833  -3.253   1.215
  129   HG21  THR  21          3HG2      THR  21  -3.628  -0.807  -1.023
  130   HG22  THR  21          1HG2      THR  21  -1.944  -1.223  -0.653
  131   HG23  THR  21          2HG2      THR  21  -3.010  -0.643   0.631
  132    HA   PRO  22           HA       PRO  22  -6.157  -3.202  -4.147
  133    HB2  PRO  22           1HB      PRO  22  -8.607  -4.058  -3.364
  134    HB3  PRO  22           2HB      PRO  22  -7.306  -5.193  -3.838
  135    HG2  PRO  22           1HG      PRO  22  -8.089  -4.331  -1.033
  136    HG3  PRO  22           2HG      PRO  22  -7.852  -5.999  -1.649
  137    HD2  PRO  22           1HD      PRO  22  -5.901  -4.629  -0.319
  138    HD3  PRO  22           2HD      PRO  22  -5.505  -5.764  -1.631
  139    H    ASP  23           H        ASP  23  -6.132  -1.845  -1.001
  140    HA   ASP  23           HA       ASP  23  -8.319   0.099  -1.589
  141    HB2  ASP  23           1HB      ASP  23  -8.288  -1.412   0.512
  142    HB3  ASP  23           2HB      ASP  23  -6.944  -0.453   1.024
  143    H    LYS  24           H        LYS  24  -7.784   2.100  -2.228
  144    HA   LYS  24           HA       LYS  24  -5.130   3.178  -2.243
  145    HB2  LYS  24           1HB      LYS  24  -6.123   5.204  -3.047
  146    HB3  LYS  24           2HB      LYS  24  -6.933   3.835  -3.803
  147    HG2  LYS  24           1HG      LYS  24  -8.834   4.110  -2.156
  148    HG3  LYS  24           2HG      LYS  24  -7.991   5.502  -1.468
  149    HD2  LYS  24           1HD      LYS  24  -9.680   6.330  -2.926
  150    HD3  LYS  24           2HD      LYS  24  -8.112   6.656  -3.675
  151    HE2  LYS  24           1HE      LYS  24  -8.410   4.672  -5.149
  152    HE3  LYS  24           2HE      LYS  24  -9.953   4.314  -4.359
  153    HZ1  LYS  24           3HZ      LYS  24  -9.365   6.781  -5.913
  154    HZ2  LYS  24           1HZ      LYS  24 -10.791   6.451  -5.185
  155    HZ3  LYS  24           2HZ      LYS  24 -10.277   5.535  -6.434
  156    H    TYR  25           H        TYR  25  -7.550   3.246   0.310
  157    HA   TYR  25           HA       TYR  25  -6.169   5.418   1.757
  158    HB2  TYR  25           1HB      TYR  25  -8.532   3.695   2.550
  159    HB3  TYR  25           2HB      TYR  25  -7.912   5.076   3.442
  160    HD1  TYR  25           1HD      TYR  25  -7.854   7.378   2.286
  161    HD2  TYR  25           2HD      TYR  25 -10.111   4.026   0.768
  162    HE1  TYR  25           1HE      TYR  25  -9.221   8.928   0.895
  163    HE2  TYR  25           2HE      TYR  25 -11.481   5.581  -0.618
  164    HH   TYR  25           HH       TYR  25 -10.927   9.124  -0.622
  165    H    LYS  26           H        LYS  26  -6.304   1.869   1.868
  166    HA   LYS  26           HA       LYS  26  -4.669   1.629   4.285
  167    HB2  LYS  26           1HB      LYS  26  -5.071  -0.367   2.029
  168    HB3  LYS  26           2HB      LYS  26  -4.309  -0.695   3.570
  169    HG2  LYS  26           1HG      LYS  26  -6.422  -0.110   4.761
  170    HG3  LYS  26           2HG      LYS  26  -7.223   0.124   3.224
  171    HD2  LYS  26           1HD      LYS  26  -6.747  -2.285   2.646
  172    HD3  LYS  26           2HD      LYS  26  -5.934  -2.458   4.205
  173    HE2  LYS  26           1HE      LYS  26  -8.047  -3.324   4.654
  174    HE3  LYS  26           2HE      LYS  26  -8.130  -1.683   5.297
  175    HZ1  LYS  26           3HZ      LYS  26 -10.107  -2.154   4.023
  176    HZ2  LYS  26           1HZ      LYS  26  -9.261  -2.627   2.714
  177    HZ3  LYS  26           2HZ      LYS  26  -9.271  -1.052   3.150
  178    H    LEU  27           H        LEU  27  -3.966   1.842   0.783
  179    HA   LEU  27           HA       LEU  27  -1.136   1.634   1.064
  180    HB2  LEU  27           1HB      LEU  27  -2.353   1.426  -1.085
  181    HB3  LEU  27           2HB      LEU  27  -2.751   3.145  -1.016
  182    HG   LEU  27           HG       LEU  27  -0.357   3.737  -1.180
  183   HD11  LEU  27          1HD1      LEU  27   0.732   1.814  -0.115
  184   HD12  LEU  27          2HD1      LEU  27   1.312   1.981  -1.769
  185   HD13  LEU  27          3HD1      LEU  27   0.114   0.727  -1.384
  186   HD21  LEU  27          3HD2      LEU  27  -0.001   3.029  -3.492
  187   HD22  LEU  27          1HD2      LEU  27  -1.709   3.428  -3.235
  188   HD23  LEU  27          2HD2      LEU  27  -1.191   1.727  -3.295
  189    H    GLN  28           H        GLN  28  -3.214   4.604   1.080
  190    HA   GLN  28           HA       GLN  28  -1.139   6.488   1.585
  191    HB2  GLN  28           1HB      GLN  28  -4.091   6.351   2.296
  192    HB3  GLN  28           2HB      GLN  28  -3.089   7.713   2.817
  193    HG2  GLN  28           1HG      GLN  28  -2.470   8.263   0.610
  194    HG3  GLN  28           2HG      GLN  28  -3.188   6.816  -0.087
  195   HE21  GLN  28          1HE2      GLN  28  -5.480   6.646  -0.256
  196   HE22  GLN  28          2HE2      GLN  28  -6.516   8.077  -0.128
  197    H    ALA  29           H        ALA  29  -3.055   4.625   3.907
  198    HA   ALA  29           HA       ALA  29  -1.703   5.459   6.259
  199    HB1  ALA  29           1HB      ALA  29  -3.898   4.335   6.231
  200    HB2  ALA  29           2HB      ALA  29  -3.120   2.820   5.722
  201    HB3  ALA  29           3HB      ALA  29  -2.758   3.513   7.313
  202    H    HIS  30           H        HIS  30  -0.564   3.182   3.824
  203    HA   HIS  30           HA       HIS  30   1.702   2.309   5.549
  204    HB2  HIS  30           1HB      HIS  30   0.699   0.625   4.130
  205    HB3  HIS  30           2HB      HIS  30   0.876   1.641   2.699
  206    HD1  HIS  30           1HD      HIS  30   3.120  -0.301   5.182
  207    HD2  HIS  30           2HD      HIS  30   3.206   1.689   1.484
  208    HE1  HIS  30           1HE      HIS  30   5.444  -0.693   4.247
  209    H    LEU  31           H        LEU  31   1.161   4.472   2.697
  210    HA   LEU  31           HA       LEU  31   3.874   5.019   2.145
  211    HB2  LEU  31           1HB      LEU  31   1.375   6.700   1.873
  212    HB3  LEU  31           2HB      LEU  31   2.929   7.254   1.276
  213    HG   LEU  31           HG       LEU  31   1.647   4.654   0.333
  214   HD11  LEU  31          1HD1      LEU  31   0.207   6.571  -0.259
  215   HD12  LEU  31          2HD1      LEU  31   1.007   5.911  -1.689
  216   HD13  LEU  31          3HD1      LEU  31   1.605   7.416  -0.956
  217   HD21  LEU  31          3HD2      LEU  31   3.915   6.354  -0.779
  218   HD22  LEU  31          1HD2      LEU  31   3.173   4.951  -1.576
  219   HD23  LEU  31          2HD2      LEU  31   4.057   4.728  -0.066
  220    H    LYS  32           H        LYS  32   1.805   6.554   4.628
  221    HA   LYS  32           HA       LYS  32   3.674   8.522   5.490
  222    HB2  LYS  32           1HB      LYS  32   2.469   8.559   7.599
  223    HB3  LYS  32           2HB      LYS  32   1.388   8.621   6.209
  224    HG2  LYS  32           1HG      LYS  32   0.632   6.389   6.551
  225    HG3  LYS  32           2HG      LYS  32   1.946   6.022   7.688
  226    HD2  LYS  32           1HD      LYS  32   1.033   7.579   9.334
  227    HD3  LYS  32           2HD      LYS  32  -0.201   8.124   8.197
  228    HE2  LYS  32           1HE      LYS  32  -1.114   6.617   9.907
  229    HE3  LYS  32           2HE      LYS  32  -1.345   5.996   8.276
  230    HZ1  LYS  32           3HZ      LYS  32  -0.566   4.307   9.901
  231    HZ2  LYS  32           1HZ      LYS  32   0.856   5.094  10.062
  232    HZ3  LYS  32           2HZ      LYS  32   0.420   4.436   8.610
  233    H    VAL  33           H        VAL  33   3.878   5.090   5.971
  234    HA   VAL  33           HA       VAL  33   5.716   5.130   8.198
  235    HB   VAL  33           HB       VAL  33   4.321   3.172   6.937
  236   HG11  VAL  33          1HG1      VAL  33   7.195   2.553   6.125
  237   HG12  VAL  33          2HG1      VAL  33   5.752   1.551   5.892
  238   HG13  VAL  33          3HG1      VAL  33   5.928   3.058   4.988
  239   HG21  VAL  33          3HG2      VAL  33   5.155   3.070   9.191
  240   HG22  VAL  33          1HG2      VAL  33   5.462   1.571   8.302
  241   HG23  VAL  33          2HG2      VAL  33   6.800   2.719   8.592
  242    H    HIS  34           H        HIS  34   6.082   5.827   4.828
  243    HA   HIS  34           HA       HIS  34   9.056   5.902   4.989
  244    HB2  HIS  34           1HB      HIS  34   7.218   6.252   2.591
  245    HB3  HIS  34           2HB      HIS  34   8.968   6.096   2.571
  246    HD1  HIS  34           1HD      HIS  34   9.712   3.524   3.854
  247    HD2  HIS  34           2HD      HIS  34   6.032   4.084   1.892
  248    HE1  HIS  34           1HE      HIS  34   8.916   1.202   3.222
  249    H    THR  35           H        THR  35   6.214   8.010   4.299
  250    HA   THR  35           HA       THR  35   7.974  10.298   3.776
  251    HB   THR  35           HB       THR  35   5.948  11.441   3.054
  252    HG1  THR  35           1HG      THR  35   3.997  10.342   3.076
  253   HG21  THR  35          3HG2      THR  35   6.025   8.605   1.934
  254   HG22  THR  35          1HG2      THR  35   7.127   9.918   1.464
  255   HG23  THR  35          2HG2      THR  35   5.391  10.060   1.140
  256    H    ALA  36           H        ALA  36   6.358   9.237   6.625
  257    HA   ALA  36           HA       ALA  36   6.570  11.978   7.802
  258    HB1  ALA  36           1HB      ALA  36   4.555  11.533   9.074
  259    HB2  ALA  36           2HB      ALA  36   4.217  11.310   7.348
  260    HB3  ALA  36           3HB      ALA  36   4.439   9.897   8.404
  261    H    LEU  37           H        LEU  37   6.690  11.996  10.175
  262    HA   LEU  37           HA       LEU  37   7.879   9.701  11.537
  263    HB2  LEU  37           1HB      LEU  37   9.804  10.790  10.388
  264    HB3  LEU  37           2HB      LEU  37   9.371  12.330  11.124
  265    HG   LEU  37           HG       LEU  37   9.860  11.387  13.382
  266   HD11  LEU  37          1HD1      LEU  37  10.807   8.942  11.813
  267   HD12  LEU  37          2HD1      LEU  37   9.468   8.982  12.982
  268   HD13  LEU  37          3HD1      LEU  37  11.120   9.248  13.537
  269   HD21  LEU  37          3HD2      LEU  37  11.590  12.594  12.110
  270   HD22  LEU  37          1HD2      LEU  37  12.118  11.069  11.363
  271   HD23  LEU  37          2HD2      LEU  37  12.298  11.320  13.115
  272    H    ASP  38           H        ASP  38   7.455   9.757  13.676
  273    HA   ASP  38           HA       ASP  38   6.550  12.204  15.065
  274    HB2  ASP  38           1HB      ASP  38   4.521  11.303  15.841
  275    HB3  ASP  38           2HB      ASP  38   4.514  11.101  14.102
  Start of MODEL   14
    1    H1   GLY   1           1H       GLY   1 -10.479 -23.913  -5.516
    2    H2   GLY   1           2H       GLY   1 -11.840 -24.488  -6.224
    3    H3   GLY   1           3H       GLY   1 -11.626 -22.873  -6.046
    4    HA2  GLY   1           1HA      GLY   1  -9.988 -24.629  -7.756
    5    HA3  GLY   1           2HA      GLY   1 -11.247 -23.521  -8.338
    6    H    SER   2           H        SER   2  -8.429 -23.536  -9.044
    7    HA   SER   2           HA       SER   2  -7.038 -21.446  -7.617
    8    HB2  SER   2           1HB      SER   2  -6.311 -22.811 -10.227
    9    HB3  SER   2           2HB      SER   2  -5.229 -21.876  -9.176
   10    HG   SER   2           HG       SER   2  -5.050 -24.138  -8.813
   11    H    SER   3           H        SER   3  -9.448 -20.352  -8.608
   12    HA   SER   3           HA       SER   3  -9.097 -18.947 -11.097
   13    HB2  SER   3           1HB      SER   3 -11.114 -18.444  -8.880
   14    HB3  SER   3           2HB      SER   3 -11.244 -17.939 -10.577
   15    HG   SER   3           HG       SER   3 -12.422 -19.862 -10.176
   16    H    GLY   4           H        GLY   4  -8.017 -18.138  -7.924
   17    HA2  GLY   4           1HA      GLY   4  -6.811 -16.307  -7.163
   18    HA3  GLY   4           2HA      GLY   4  -6.966 -15.542  -8.738
   19    H    SER   5           H        SER   5  -7.102 -13.781  -6.916
   20    HA   SER   5           HA       SER   5  -9.783 -13.339  -5.797
   21    HB2  SER   5           1HB      SER   5  -8.721 -11.325  -4.799
   22    HB3  SER   5           2HB      SER   5  -7.932 -12.850  -4.374
   23    HG   SER   5           HG       SER   5  -6.415 -11.227  -4.956
   24    H    SER   6           H        SER   6 -10.966 -11.367  -6.086
   25    HA   SER   6           HA       SER   6 -11.253 -10.570  -8.857
   26    HB2  SER   6           1HB      SER   6 -12.596  -9.480  -6.359
   27    HB3  SER   6           2HB      SER   6 -13.091  -9.177  -8.033
   28    HG   SER   6           HG       SER   6 -14.295 -10.882  -7.060
   29    H    GLY   7           H        GLY   7 -10.979  -8.548  -9.807
   30    HA2  GLY   7           1HA      GLY   7 -10.113  -6.438 -10.189
   31    HA3  GLY   7           2HA      GLY   7 -10.047  -6.188  -8.448
   32    H    ILE   8           H        ILE   8  -8.089  -5.034  -8.810
   33    HA   ILE   8           HA       ILE   8  -5.660  -6.743  -8.904
   34    HB   ILE   8           HB       ILE   8  -4.431  -5.028 -10.137
   35   HG12  ILE   8          1HG1      ILE   8  -7.135  -3.765 -10.780
   36   HG13  ILE   8          2HG1      ILE   8  -5.937  -3.083  -9.675
   37   HG21  ILE   8          1HG2      ILE   8  -5.396  -7.074 -11.215
   38   HG22  ILE   8          2HG2      ILE   8  -6.781  -6.097 -11.750
   39   HG23  ILE   8          3HG2      ILE   8  -5.144  -5.732 -12.332
   40   HD11  ILE   8          3HD1      ILE   8  -5.581  -3.504 -12.661
   41   HD12  ILE   8          1HD1      ILE   8  -5.722  -1.970 -11.788
   42   HD13  ILE   8          2HD1      ILE   8  -4.288  -2.989 -11.549
   43    H    LEU   9           H        LEU   9  -3.885  -6.003  -7.713
   44    HA   LEU   9           HA       LEU   9  -4.555  -4.239  -5.450
   45    HB2  LEU   9           1HB      LEU   9  -2.318  -6.202  -6.037
   46    HB3  LEU   9           2HB      LEU   9  -2.172  -4.992  -4.769
   47    HG   LEU   9           HG       LEU   9  -4.219  -5.818  -3.691
   48   HD11  LEU   9          1HD1      LEU   9  -5.026  -8.124  -4.217
   49   HD12  LEU   9          2HD1      LEU   9  -4.067  -8.086  -5.714
   50   HD13  LEU   9          3HD1      LEU   9  -5.422  -6.955  -5.472
   51   HD21  LEU   9          3HD2      LEU   9  -2.003  -6.547  -2.946
   52   HD22  LEU   9          1HD2      LEU   9  -2.044  -7.901  -4.099
   53   HD23  LEU   9          2HD2      LEU   9  -3.189  -7.841  -2.739
   54    H    LEU  10           H        LEU  10  -3.482  -2.463  -4.844
   55    HA   LEU  10           HA       LEU  10  -1.881  -0.926  -6.808
   56    HB2  LEU  10           1HB      LEU  10  -2.798  -0.162  -4.011
   57    HB3  LEU  10           2HB      LEU  10  -2.161   0.909  -5.258
   58    HG   LEU  10           HG       LEU  10  -4.852  -0.531  -5.360
   59   HD11  LEU  10          1HD1      LEU  10  -4.162   2.396  -4.894
   60   HD12  LEU  10          2HD1      LEU  10  -4.738   1.243  -3.668
   61   HD13  LEU  10          3HD1      LEU  10  -5.795   1.699  -5.015
   62   HD21  LEU  10          3HD2      LEU  10  -3.638   1.549  -7.235
   63   HD22  LEU  10          1HD2      LEU  10  -5.311   0.948  -7.294
   64   HD23  LEU  10          2HD2      LEU  10  -3.969  -0.154  -7.632
   65    H    LYS  11           H        LYS  11   0.239  -0.141  -6.171
   66    HA   LYS  11           HA       LYS  11   1.648  -1.837  -4.130
   67    HB2  LYS  11           1HB      LYS  11   2.608  -1.073  -6.916
   68    HB3  LYS  11           2HB      LYS  11   3.574  -1.889  -5.681
   69    HG2  LYS  11           1HG      LYS  11   1.959  -3.788  -5.674
   70    HG3  LYS  11           2HG      LYS  11   1.037  -2.997  -6.967
   71    HD2  LYS  11           1HD      LYS  11   3.035  -3.071  -8.438
   72    HD3  LYS  11           2HD      LYS  11   3.951  -3.881  -7.147
   73    HE2  LYS  11           1HE      LYS  11   2.313  -5.753  -7.167
   74    HE3  LYS  11           2HE      LYS  11   1.401  -4.944  -8.449
   75    HZ1  LYS  11           3HZ      LYS  11   4.210  -5.894  -8.697
   76    HZ2  LYS  11           1HZ      LYS  11   3.367  -5.147  -9.882
   77    HZ3  LYS  11           2HZ      LYS  11   2.908  -6.622  -9.356
   78    H    CYS  12           H        CYS  12   3.296  -0.987  -2.995
   79    HA   CYS  12           HA       CYS  12   3.400   1.854  -2.573
   80    HB2  CYS  12           1HB      CYS  12   3.694   0.072  -0.879
   81    HB3  CYS  12           2HB      CYS  12   5.240  -0.371  -1.634
   82    HA   PRO  13           HA       PRO  13   6.339   2.574  -5.887
   83    HB2  PRO  13           1HB      PRO  13   6.758   5.243  -5.656
   84    HB3  PRO  13           2HB      PRO  13   5.151   4.569  -6.071
   85    HG2  PRO  13           1HG      PRO  13   6.155   5.415  -3.327
   86    HG3  PRO  13           2HG      PRO  13   4.627   5.895  -4.139
   87    HD2  PRO  13           1HD      PRO  13   4.757   3.832  -2.349
   88    HD3  PRO  13           2HD      PRO  13   3.656   3.787  -3.760
   89    H    THR  14           H        THR  14   7.306   2.858  -2.568
   90    HA   THR  14           HA       THR  14   9.939   3.946  -2.943
   91    HB   THR  14           HB       THR  14   8.785   2.316  -0.661
   92    HG1  THR  14           1HG      THR  14   8.528   4.364   0.238
   93   HG21  THR  14          3HG2      THR  14  11.306   4.033  -0.796
   94   HG22  THR  14          1HG2      THR  14  11.218   2.290  -0.440
   95   HG23  THR  14          2HG2      THR  14  10.559   3.455   0.708
   96    H    ASP  15           H        ASP  15  11.852   3.038  -3.475
   97    HA   ASP  15           HA       ASP  15  11.872   0.570  -4.837
   98    HB2  ASP  15           1HB      ASP  15  13.307   2.524  -5.314
   99    HB3  ASP  15           2HB      ASP  15  14.198   2.244  -3.817
  100    H    GLY  16           H        GLY  16  12.881   1.256  -1.508
  101    HA2  GLY  16           1HA      GLY  16  14.000  -1.408  -1.009
  102    HA3  GLY  16           2HA      GLY  16  13.742  -0.117   0.163
  103    H    CYS  17           H        CYS  17  10.820  -0.520  -1.414
  104    HA   CYS  17           HA       CYS  17   9.687  -2.061   0.862
  105    HB2  CYS  17           1HB      CYS  17   9.160   0.371   0.337
  106    HB3  CYS  17           2HB      CYS  17   8.247  -0.236  -1.057
  107    H    ASP  18           H        ASP  18   7.730  -3.239   0.389
  108    HA   ASP  18           HA       ASP  18   7.594  -4.683  -2.210
  109    HB2  ASP  18           1HB      ASP  18   9.226  -5.848  -0.664
  110    HB3  ASP  18           2HB      ASP  18   7.894  -6.118   0.456
  111    H    TYR  19           H        TYR  19   5.912  -2.920  -0.129
  112    HA   TYR  19           HA       TYR  19   3.692  -4.604   0.602
  113    HB2  TYR  19           1HB      TYR  19   4.448  -2.768   1.976
  114    HB3  TYR  19           2HB      TYR  19   4.157  -1.617   0.692
  115    HD1  TYR  19           2HD      TYR  19   2.590  -3.813   3.232
  116    HD2  TYR  19           1HD      TYR  19   1.857  -0.816   0.209
  117    HE1  TYR  19           2HE      TYR  19   0.305  -3.428   4.154
  118    HE2  TYR  19           1HE      TYR  19  -0.392  -0.416   1.151
  119    HH   TYR  19           HH       TYR  19  -1.868  -0.906   2.852
  120    H    SER  20           H        SER  20   1.680  -4.807  -0.180
  121    HA   SER  20           HA       SER  20   0.655  -3.066  -2.295
  122    HB2  SER  20           1HB      SER  20  -0.107  -4.966  -3.693
  123    HB3  SER  20           2HB      SER  20   1.661  -4.820  -3.625
  124    HG   SER  20           HG       SER  20   1.020  -6.987  -3.353
  125    H    THR  21           H        THR  21  -1.608  -3.088  -2.534
  126    HA   THR  21           HA       THR  21  -3.314  -4.658  -0.742
  127    HB   THR  21           HB       THR  21  -2.533  -3.040   0.852
  128    HG1  THR  21           1HG      THR  21  -4.450  -2.325   1.507
  129   HG21  THR  21          3HG2      THR  21  -1.829  -1.185  -0.657
  130   HG22  THR  21          1HG2      THR  21  -2.900  -0.637   0.641
  131   HG23  THR  21          2HG2      THR  21  -3.534  -0.838  -1.003
  132    HA   PRO  22           HA       PRO  22  -6.099  -3.476  -4.057
  133    HB2  PRO  22           1HB      PRO  22  -8.507  -4.359  -3.154
  134    HB3  PRO  22           2HB      PRO  22  -7.177  -5.472  -3.599
  135    HG2  PRO  22           1HG      PRO  22  -7.898  -4.457  -0.826
  136    HG3  PRO  22           2HG      PRO  22  -7.644  -6.156  -1.345
  137    HD2  PRO  22           1HD      PRO  22  -5.669  -4.705  -0.176
  138    HD3  PRO  22           2HD      PRO  22  -5.304  -5.854  -1.488
  139    H    ASP  23           H        ASP  23  -6.107  -1.863  -1.032
  140    HA   ASP  23           HA       ASP  23  -8.320  -0.017  -1.851
  141    HB2  ASP  23           1HB      ASP  23  -8.529  -1.413   0.316
  142    HB3  ASP  23           2HB      ASP  23  -7.211  -0.463   0.897
  143    H    LYS  24           H        LYS  24  -7.931   2.092  -2.213
  144    HA   LYS  24           HA       LYS  24  -5.240   3.120  -2.253
  145    HB2  LYS  24           1HB      LYS  24  -6.185   5.130  -3.138
  146    HB3  LYS  24           2HB      LYS  24  -6.980   3.748  -3.886
  147    HG2  LYS  24           1HG      LYS  24  -8.946   4.070  -2.370
  148    HG3  LYS  24           2HG      LYS  24  -8.137   5.471  -1.636
  149    HD2  LYS  24           1HD      LYS  24  -8.070   6.598  -3.833
  150    HD3  LYS  24           2HD      LYS  24  -8.901   5.206  -4.571
  151    HE2  LYS  24           1HE      LYS  24 -10.832   5.574  -3.042
  152    HE3  LYS  24           2HE      LYS  24  -9.995   6.967  -2.338
  153    HZ1  LYS  24           3HZ      LYS  24 -10.058   8.032  -4.528
  154    HZ2  LYS  24           1HZ      LYS  24 -11.571   7.665  -4.042
  155    HZ3  LYS  24           2HZ      LYS  24 -10.840   6.751  -5.179
  156    H    TYR  25           H        TYR  25  -7.649   3.269   0.286
  157    HA   TYR  25           HA       TYR  25  -6.248   5.481   1.671
  158    HB2  TYR  25           1HB      TYR  25  -8.592   3.805   2.609
  159    HB3  TYR  25           2HB      TYR  25  -7.961   5.258   3.352
  160    HD1  TYR  25           2HD      TYR  25  -8.051   7.472   2.034
  161    HD2  TYR  25           1HD      TYR  25 -10.227   3.937   0.858
  162    HE1  TYR  25           2HE      TYR  25  -9.637   8.880   0.717
  163    HE2  TYR  25           1HE      TYR  25 -11.828   5.344  -0.423
  164    HH   TYR  25           HH       TYR  25 -12.447   7.477  -1.009
  165    H    LYS  26           H        LYS  26  -6.639   1.919   1.894
  166    HA   LYS  26           HA       LYS  26  -4.943   1.528   4.195
  167    HB2  LYS  26           1HB      LYS  26  -5.321  -0.304   1.830
  168    HB3  LYS  26           2HB      LYS  26  -4.534  -0.712   3.345
  169    HG2  LYS  26           1HG      LYS  26  -6.657  -0.140   4.588
  170    HG3  LYS  26           2HG      LYS  26  -7.454   0.120   3.056
  171    HD2  LYS  26           1HD      LYS  26  -8.015  -2.051   3.777
  172    HD3  LYS  26           2HD      LYS  26  -6.878  -2.255   2.430
  173    HE2  LYS  26           1HE      LYS  26  -5.038  -2.650   4.070
  174    HE3  LYS  26           2HE      LYS  26  -6.180  -2.425   5.399
  175    HZ1  LYS  26           3HZ      LYS  26  -6.344  -4.583   3.362
  176    HZ2  LYS  26           1HZ      LYS  26  -7.400  -4.375   4.593
  177    HZ3  LYS  26           2HZ      LYS  26  -5.851  -4.777   4.904
  178    H    LEU  27           H        LEU  27  -4.150   1.927   0.720
  179    HA   LEU  27           HA       LEU  27  -1.319   1.633   1.060
  180    HB2  LEU  27           1HB      LEU  27  -2.465   1.439  -1.106
  181    HB3  LEU  27           2HB      LEU  27  -2.872   3.155  -1.055
  182    HG   LEU  27           HG       LEU  27  -0.496   3.767  -1.193
  183   HD11  LEU  27          1HD1      LEU  27   1.225   2.031  -1.688
  184   HD12  LEU  27          2HD1      LEU  27   0.042   0.762  -1.303
  185   HD13  LEU  27          3HD1      LEU  27   0.605   1.896  -0.047
  186   HD21  LEU  27          3HD2      LEU  27  -1.791   3.368  -3.272
  187   HD22  LEU  27          1HD2      LEU  27  -1.224   1.681  -3.273
  188   HD23  LEU  27          2HD2      LEU  27  -0.066   3.011  -3.472
  189    H    GLN  28           H        GLN  28  -3.330   4.654   1.004
  190    HA   GLN  28           HA       GLN  28  -1.223   6.489   1.518
  191    HB2  GLN  28           1HB      GLN  28  -4.184   6.440   2.209
  192    HB3  GLN  28           2HB      GLN  28  -3.152   7.798   2.682
  193    HG2  GLN  28           1HG      GLN  28  -2.510   8.243   0.454
  194    HG3  GLN  28           2HG      GLN  28  -3.271   6.794  -0.188
  195   HE21  GLN  28          1HE2      GLN  28  -5.566   6.688  -0.368
  196   HE22  GLN  28          2HE2      GLN  28  -6.555   8.156  -0.296
  197    H    ALA  29           H        ALA  29  -3.183   4.684   3.827
  198    HA   ALA  29           HA       ALA  29  -1.872   5.513   6.215
  199    HB1  ALA  29           1HB      ALA  29  -3.303   2.891   5.613
  200    HB2  ALA  29           2HB      ALA  29  -2.964   3.555   7.224
  201    HB3  ALA  29           3HB      ALA  29  -4.075   4.407   6.135
  202    H    HIS  30           H        HIS  30  -0.647   3.338   3.756
  203    HA   HIS  30           HA       HIS  30   1.578   2.435   5.542
  204    HB2  HIS  30           1HB      HIS  30   0.594   0.695   4.198
  205    HB3  HIS  30           2HB      HIS  30   0.718   1.664   2.731
  206    HD1  HIS  30           1HD      HIS  30   3.016  -0.257   5.161
  207    HD2  HIS  30           2HD      HIS  30   3.046   1.795   1.494
  208    HE1  HIS  30           1HE      HIS  30   5.326  -0.632   4.183
  209    H    LEU  31           H        LEU  31   1.038   4.520   2.628
  210    HA   LEU  31           HA       LEU  31   3.738   4.995   1.998
  211    HB2  LEU  31           1HB      LEU  31   1.340   6.843   1.819
  212    HB3  LEU  31           2HB      LEU  31   2.896   7.222   1.099
  213    HG   LEU  31           HG       LEU  31   1.210   4.810   0.319
  214   HD11  LEU  31          1HD1      LEU  31   0.141   6.955  -0.305
  215   HD12  LEU  31          2HD1      LEU  31   0.718   6.070  -1.724
  216   HD13  LEU  31          3HD1      LEU  31   1.641   7.460  -1.112
  217   HD21  LEU  31          3HD2      LEU  31   3.701   5.994  -0.949
  218   HD22  LEU  31          1HD2      LEU  31   2.685   4.702  -1.631
  219   HD23  LEU  31          2HD2      LEU  31   3.576   4.414  -0.138
  220    H    LYS  32           H        LYS  32   1.802   6.605   4.511
  221    HA   LYS  32           HA       LYS  32   3.691   8.579   5.290
  222    HB2  LYS  32           1HB      LYS  32   2.463   8.757   7.340
  223    HB3  LYS  32           2HB      LYS  32   1.340   8.559   5.994
  224    HG2  LYS  32           1HG      LYS  32   1.029   6.171   6.599
  225    HG3  LYS  32           2HG      LYS  32   2.174   6.358   7.943
  226    HD2  LYS  32           1HD      LYS  32   0.690   8.116   8.926
  227    HD3  LYS  32           2HD      LYS  32  -0.486   7.812   7.629
  228    HE2  LYS  32           1HE      LYS  32  -0.682   5.448   8.361
  229    HE3  LYS  32           2HE      LYS  32   0.525   5.726   9.619
  230    HZ1  LYS  32           3HZ      LYS  32  -0.997   7.329  10.645
  231    HZ2  LYS  32           1HZ      LYS  32  -1.729   5.878  10.509
  232    HZ3  LYS  32           2HZ      LYS  32  -2.118   7.084   9.481
  233    H    VAL  33           H        VAL  33   3.856   5.150   5.864
  234    HA   VAL  33           HA       VAL  33   5.615   5.193   8.131
  235    HB   VAL  33           HB       VAL  33   4.242   3.249   6.885
  236   HG11  VAL  33          1HG1      VAL  33   5.642   1.610   5.822
  237   HG12  VAL  33          2HG1      VAL  33   5.818   3.118   4.919
  238   HG13  VAL  33          3HG1      VAL  33   7.097   2.596   6.034
  239   HG21  VAL  33          3HG2      VAL  33   5.100   3.128   9.134
  240   HG22  VAL  33          1HG2      VAL  33   5.366   1.626   8.238
  241   HG23  VAL  33          2HG2      VAL  33   6.730   2.744   8.517
  242    H    HIS  34           H        HIS  34   6.183   5.826   4.751
  243    HA   HIS  34           HA       HIS  34   9.117   5.603   4.992
  244    HB2  HIS  34           1HB      HIS  34   7.320   6.312   2.642
  245    HB3  HIS  34           2HB      HIS  34   9.062   6.071   2.570
  246    HD1  HIS  34           1HD      HIS  34   9.815   3.444   3.513
  247    HD2  HIS  34           2HD      HIS  34   5.946   4.177   2.030
  248    HE1  HIS  34           1HE      HIS  34   8.890   1.173   2.860
  249    H    THR  35           H        THR  35   6.839   8.075   5.594
  250    HA   THR  35           HA       THR  35   8.869  10.226   5.066
  251    HB   THR  35           HB       THR  35   6.984  11.752   4.703
  252    HG1  THR  35           1HG      THR  35   4.931  10.891   4.434
  253   HG21  THR  35          3HG2      THR  35   8.039  10.578   2.760
  254   HG22  THR  35          1HG2      THR  35   6.337  10.991   2.489
  255   HG23  THR  35          2HG2      THR  35   6.790   9.317   2.874
  256    H    ALA  36           H        ALA  36   6.275   9.207   7.318
  257    HA   ALA  36           HA       ALA  36   7.109  11.250   9.282
  258    HB1  ALA  36           1HB      ALA  36   5.123  10.506  10.496
  259    HB2  ALA  36           2HB      ALA  36   4.717  10.841   8.800
  260    HB3  ALA  36           3HB      ALA  36   4.895   9.161   9.359
  261    H    LEU  37           H        LEU  37   7.571   7.876   8.694
  262    HA   LEU  37           HA       LEU  37   8.720   6.195   9.597
  263    HB2  LEU  37           1HB      LEU  37  10.278   8.538  10.689
  264    HB3  LEU  37           2HB      LEU  37  10.734   6.908  11.097
  265    HG   LEU  37           HG       LEU  37  12.062   7.841   9.284
  266   HD11  LEU  37          1HD1      LEU  37  11.770   5.397   9.480
  267   HD12  LEU  37          2HD1      LEU  37  12.036   5.919   7.809
  268   HD13  LEU  37          3HD1      LEU  37  10.408   5.469   8.344
  269   HD21  LEU  37          3HD2      LEU  37  10.316   9.188   8.137
  270   HD22  LEU  37          1HD2      LEU  37   9.602   7.676   7.514
  271   HD23  LEU  37          2HD2      LEU  37  11.243   8.150   7.041
  272    H    ASP  38           H        ASP  38   7.174   8.154  11.996
  273    HA   ASP  38           HA       ASP  38   6.814   5.764  13.740
  274    HB2  ASP  38           1HB      ASP  38   8.683   7.063  14.671
  275    HB3  ASP  38           2HB      ASP  38   7.699   8.522  14.676
  Start of MODEL   15
    1    H1   GLY   1           1H       GLY   1  -7.743 -23.421 -11.413
    2    H2   GLY   1           2H       GLY   1  -6.268 -23.703 -10.760
    3    H3   GLY   1           3H       GLY   1  -6.397 -23.236 -12.325
    4    HA2  GLY   1           1HA      GLY   1  -7.102 -21.594  -9.977
    5    HA3  GLY   1           2HA      GLY   1  -5.652 -21.389 -10.978
    6    H    SER   2           H        SER   2  -6.508 -19.169 -11.180
    7    HA   SER   2           HA       SER   2  -8.079 -18.864 -13.652
    8    HB2  SER   2           1HB      SER   2  -9.711 -18.802 -11.699
    9    HB3  SER   2           2HB      SER   2  -8.892 -17.321 -11.162
   10    HG   SER   2           HG       SER   2 -10.725 -16.918 -12.522
   11    H    SER   3           H        SER   3  -8.016 -16.609 -14.443
   12    HA   SER   3           HA       SER   3  -5.656 -14.998 -13.604
   13    HB2  SER   3           1HB      SER   3  -6.081 -16.033 -16.438
   14    HB3  SER   3           2HB      SER   3  -4.821 -14.904 -15.921
   15    HG   SER   3           HG       SER   3  -3.978 -16.564 -14.571
   16    H    GLY   4           H        GLY   4  -5.631 -12.847 -14.419
   17    HA2  GLY   4           1HA      GLY   4  -6.496 -10.859 -15.197
   18    HA3  GLY   4           2HA      GLY   4  -7.692 -11.763 -16.128
   19    H    SER   5           H        SER   5  -7.584 -12.269 -12.669
   20    HA   SER   5           HA       SER   5 -10.298 -11.692 -12.252
   21    HB2  SER   5           1HB      SER   5  -8.082 -11.746 -10.173
   22    HB3  SER   5           2HB      SER   5  -9.815 -11.985  -9.882
   23    HG   SER   5           HG       SER   5  -8.683 -13.978 -10.041
   24    H    SER   6           H        SER   6 -11.439 -10.083 -11.200
   25    HA   SER   6           HA       SER   6 -10.620  -7.360 -11.490
   26    HB2  SER   6           1HB      SER   6 -12.893  -8.527  -9.837
   27    HB3  SER   6           2HB      SER   6 -12.733  -6.839 -10.358
   28    HG   SER   6           HG       SER   6 -14.104  -8.054 -11.750
   29    H    GLY   7           H        GLY   7 -10.537  -5.705  -9.798
   30    HA2  GLY   7           1HA      GLY   7  -9.921  -4.800  -7.767
   31    HA3  GLY   7           2HA      GLY   7 -10.111  -6.384  -7.015
   32    H    ILE   8           H        ILE   8  -7.901  -5.536  -9.685
   33    HA   ILE   8           HA       ILE   8  -5.649  -6.867  -8.652
   34    HB   ILE   8           HB       ILE   8  -5.767  -4.615 -10.697
   35   HG12  ILE   8          1HG1      ILE   8  -5.829  -7.652 -11.059
   36   HG13  ILE   8          2HG1      ILE   8  -7.202  -6.568 -11.275
   37   HG21  ILE   8          1HG2      ILE   8  -3.582  -6.696 -10.201
   38   HG22  ILE   8          2HG2      ILE   8  -3.594  -5.490 -11.505
   39   HG23  ILE   8          3HG2      ILE   8  -3.455  -4.956  -9.847
   40   HD11  ILE   8          3HD1      ILE   8  -4.732  -6.693 -13.028
   41   HD12  ILE   8          1HD1      ILE   8  -6.399  -7.112 -13.439
   42   HD13  ILE   8          2HD1      ILE   8  -5.973  -5.416 -13.134
   43    H    LEU   9           H        LEU   9  -4.057  -6.348  -7.377
   44    HA   LEU   9           HA       LEU   9  -4.400  -4.280  -5.448
   45    HB2  LEU   9           1HB      LEU   9  -2.194  -6.308  -5.953
   46    HB3  LEU   9           2HB      LEU   9  -2.061  -5.079  -4.704
   47    HG   LEU   9           HG       LEU   9  -4.115  -5.887  -3.619
   48   HD11  LEU   9          1HD1      LEU   9  -4.936  -8.186  -4.140
   49   HD12  LEU   9          2HD1      LEU   9  -3.967  -8.172  -5.631
   50   HD13  LEU   9          3HD1      LEU   9  -5.315  -7.025  -5.406
   51   HD21  LEU   9          3HD2      LEU   9  -1.955  -7.988  -4.020
   52   HD22  LEU   9          1HD2      LEU   9  -3.100  -7.912  -2.662
   53   HD23  LEU   9          2HD2      LEU   9  -1.903  -6.631  -2.874
   54    H    LEU  10           H        LEU  10  -3.283  -2.527  -4.889
   55    HA   LEU  10           HA       LEU  10  -1.588  -1.097  -6.856
   56    HB2  LEU  10           1HB      LEU  10  -2.567  -0.243  -4.099
   57    HB3  LEU  10           2HB      LEU  10  -1.871   0.793  -5.342
   58    HG   LEU  10           HG       LEU  10  -4.592  -0.584  -5.525
   59   HD11  LEU  10          1HD1      LEU  10  -5.501   1.664  -5.166
   60   HD12  LEU  10          2HD1      LEU  10  -3.857   2.316  -4.962
   61   HD13  LEU  10          3HD1      LEU  10  -4.515   1.150  -3.788
   62   HD21  LEU  10          3HD2      LEU  10  -3.613  -0.169  -7.754
   63   HD22  LEU  10          1HD2      LEU  10  -3.285   1.522  -7.305
   64   HD23  LEU  10          2HD2      LEU  10  -4.959   0.936  -7.439
   65    H    LYS  11           H        LYS  11   0.484  -0.305  -6.232
   66    HA   LYS  11           HA       LYS  11   1.875  -1.926  -4.138
   67    HB2  LYS  11           1HB      LYS  11   2.181  -2.089  -6.916
   68    HB3  LYS  11           2HB      LYS  11   3.520  -1.059  -6.454
   69    HG2  LYS  11           1HG      LYS  11   2.872  -3.702  -5.097
   70    HG3  LYS  11           2HG      LYS  11   3.850  -3.626  -6.550
   71    HD2  LYS  11           1HD      LYS  11   4.623  -2.134  -4.010
   72    HD3  LYS  11           2HD      LYS  11   5.132  -3.786  -4.342
   73    HE2  LYS  11           1HE      LYS  11   6.407  -3.170  -6.238
   74    HE3  LYS  11           2HE      LYS  11   5.635  -1.586  -6.369
   75    HZ1  LYS  11           3HZ      LYS  11   6.755  -0.840  -4.436
   76    HZ2  LYS  11           1HZ      LYS  11   7.898  -1.512  -5.385
   77    HZ3  LYS  11           2HZ      LYS  11   7.365  -2.307  -4.053
   78    H    CYS  12           H        CYS  12   3.320  -0.981  -2.835
   79    HA   CYS  12           HA       CYS  12   3.392   1.807  -2.365
   80    HB2  CYS  12           1HB      CYS  12   3.869   0.016  -0.764
   81    HB3  CYS  12           2HB      CYS  12   5.355  -0.393  -1.646
   82    HA   PRO  13           HA       PRO  13   6.246   2.890  -5.698
   83    HB2  PRO  13           1HB      PRO  13   6.407   5.575  -5.350
   84    HB3  PRO  13           2HB      PRO  13   4.880   4.781  -5.838
   85    HG2  PRO  13           1HG      PRO  13   5.733   5.592  -3.033
   86    HG3  PRO  13           2HG      PRO  13   4.193   5.976  -3.871
   87    HD2  PRO  13           1HD      PRO  13   4.457   3.847  -2.165
   88    HD3  PRO  13           2HD      PRO  13   3.392   3.780  -3.603
   89    H    THR  14           H        THR  14   7.077   2.842  -2.398
   90    HA   THR  14           HA       THR  14   9.576   4.327  -2.540
   91    HB   THR  14           HB       THR  14   8.633   2.433  -0.364
   92    HG1  THR  14           1HG      THR  14   7.151   4.031  -0.568
   93   HG21  THR  14          3HG2      THR  14  11.007   2.975  -0.098
   94   HG22  THR  14          1HG2      THR  14  10.061   3.882   1.085
   95   HG23  THR  14          2HG2      THR  14  10.672   4.704  -0.365
   96    H    ASP  15           H        ASP  15  11.653   3.616  -2.777
   97    HA   ASP  15           HA       ASP  15  12.140   1.239  -4.238
   98    HB2  ASP  15           1HB      ASP  15  13.536   3.244  -4.386
   99    HB3  ASP  15           2HB      ASP  15  14.060   3.036  -2.714
  100    H    GLY  16           H        GLY  16  12.603  -0.799  -3.712
  101    HA2  GLY  16           1HA      GLY  16  13.180  -2.682  -2.526
  102    HA3  GLY  16           2HA      GLY  16  13.766  -1.667  -1.210
  103    H    CYS  17           H        CYS  17  10.606  -0.676  -1.614
  104    HA   CYS  17           HA       CYS  17   9.650  -2.363   0.604
  105    HB2  CYS  17           1HB      CYS  17   9.518   0.110   0.646
  106    HB3  CYS  17           2HB      CYS  17   8.373   0.053  -0.702
  107    H    ASP  18           H        ASP  18   8.344  -4.019   0.392
  108    HA   ASP  18           HA       ASP  18   7.412  -4.818  -2.300
  109    HB2  ASP  18           1HB      ASP  18   7.519  -7.046  -1.528
  110    HB3  ASP  18           2HB      ASP  18   8.992  -6.246  -1.006
  111    H    TYR  19           H        TYR  19   5.956  -3.214   0.148
  112    HA   TYR  19           HA       TYR  19   3.618  -4.701   0.743
  113    HB2  TYR  19           1HB      TYR  19   4.386  -2.855   2.100
  114    HB3  TYR  19           2HB      TYR  19   4.171  -1.728   0.771
  115    HD1  TYR  19           2HD      TYR  19   2.424  -3.798   3.308
  116    HD2  TYR  19           1HD      TYR  19   1.947  -0.853   0.186
  117    HE1  TYR  19           2HE      TYR  19   0.105  -3.339   4.087
  118    HE2  TYR  19           1HE      TYR  19  -0.345  -0.372   0.998
  119    HH   TYR  19           HH       TYR  19  -1.793  -2.100   3.782
  120    H    SER  20           H        SER  20   1.649  -4.901  -0.099
  121    HA   SER  20           HA       SER  20   0.701  -3.149  -2.230
  122    HB2  SER  20           1HB      SER  20  -0.017  -5.030  -3.681
  123    HB3  SER  20           2HB      SER  20   1.740  -4.876  -3.565
  124    HG   SER  20           HG       SER  20   1.786  -6.609  -2.138
  125    H    THR  21           H        THR  21  -1.537  -3.135  -2.537
  126    HA   THR  21           HA       THR  21  -3.323  -4.699  -0.808
  127    HB   THR  21           HB       THR  21  -2.572  -3.084   0.805
  128    HG1  THR  21           1HG      THR  21  -4.505  -2.327   1.391
  129   HG21  THR  21          3HG2      THR  21  -3.513  -0.867  -1.068
  130   HG22  THR  21          1HG2      THR  21  -1.815  -1.238  -0.704
  131   HG23  THR  21          2HG2      THR  21  -2.893  -0.680   0.584
  132    HA   PRO  22           HA       PRO  22  -6.041  -3.365  -4.167
  133    HB2  PRO  22           1HB      PRO  22  -8.454  -4.279  -3.339
  134    HB3  PRO  22           2HB      PRO  22  -7.129  -5.389  -3.806
  135    HG2  PRO  22           1HG      PRO  22  -7.899  -4.490  -1.008
  136    HG3  PRO  22           2HG      PRO  22  -7.635  -6.164  -1.594
  137    HD2  PRO  22           1HD      PRO  22  -5.693  -4.730  -0.321
  138    HD3  PRO  22           2HD      PRO  22  -5.296  -5.881  -1.619
  139    H    ASP  23           H        ASP  23  -6.043  -2.037  -1.009
  140    HA   ASP  23           HA       ASP  23  -8.271  -0.128  -1.548
  141    HB2  ASP  23           1HB      ASP  23  -6.938  -1.223   0.912
  142    HB3  ASP  23           2HB      ASP  23  -7.903   0.237   1.005
  143    H    LYS  24           H        LYS  24  -7.762   1.775  -2.291
  144    HA   LYS  24           HA       LYS  24  -5.278   3.080  -2.423
  145    HB2  LYS  24           1HB      LYS  24  -7.196   3.613  -3.780
  146    HB3  LYS  24           2HB      LYS  24  -8.147   4.123  -2.399
  147    HG2  LYS  24           1HG      LYS  24  -5.608   5.582  -3.251
  148    HG3  LYS  24           2HG      LYS  24  -7.185   5.876  -3.979
  149    HD2  LYS  24           1HD      LYS  24  -8.045   6.317  -1.559
  150    HD3  LYS  24           2HD      LYS  24  -6.339   6.436  -1.124
  151    HE2  LYS  24           1HE      LYS  24  -7.027   8.644  -1.502
  152    HE3  LYS  24           2HE      LYS  24  -6.074   8.199  -2.921
  153    HZ1  LYS  24           3HZ      LYS  24  -8.141   9.343  -3.524
  154    HZ2  LYS  24           1HZ      LYS  24  -9.051   8.209  -2.787
  155    HZ3  LYS  24           2HZ      LYS  24  -8.178   7.827  -4.116
  156    H    TYR  25           H        TYR  25  -7.788   3.549   0.090
  157    HA   TYR  25           HA       TYR  25  -6.238   5.507   1.523
  158    HB2  TYR  25           1HB      TYR  25  -8.646   3.869   2.376
  159    HB3  TYR  25           2HB      TYR  25  -7.977   5.230   3.272
  160    HD1  TYR  25           1HD      TYR  25  -7.849   7.524   2.167
  161    HD2  TYR  25           2HD      TYR  25 -10.164   4.267   0.530
  162    HE1  TYR  25           1HE      TYR  25  -9.101   9.133   0.740
  163    HE2  TYR  25           2HE      TYR  25 -11.403   5.881  -0.912
  164    HH   TYR  25           HH       TYR  25 -10.746   9.405  -0.835
  165    H    LYS  26           H        LYS  26  -6.337   1.981   1.774
  166    HA   LYS  26           HA       LYS  26  -4.747   1.860   4.237
  167    HB2  LYS  26           1HB      LYS  26  -5.289  -0.219   2.086
  168    HB3  LYS  26           2HB      LYS  26  -4.409  -0.522   3.577
  169    HG2  LYS  26           1HG      LYS  26  -6.418   0.182   4.906
  170    HG3  LYS  26           2HG      LYS  26  -7.315   0.357   3.388
  171    HD2  LYS  26           1HD      LYS  26  -6.752  -2.087   2.905
  172    HD3  LYS  26           2HD      LYS  26  -6.127  -2.207   4.549
  173    HE2  LYS  26           1HE      LYS  26  -8.253  -1.878   5.526
  174    HE3  LYS  26           2HE      LYS  26  -8.898  -1.082   4.083
  175    HZ1  LYS  26           3HZ      LYS  26  -8.901  -3.160   2.919
  176    HZ2  LYS  26           1HZ      LYS  26  -9.751  -3.348   4.306
  177    HZ3  LYS  26           2HZ      LYS  26  -8.240  -3.970   4.193
  178    H    LEU  27           H        LEU  27  -3.998   1.876   0.731
  179    HA   LEU  27           HA       LEU  27  -1.167   1.661   1.081
  180    HB2  LEU  27           1HB      LEU  27  -2.306   1.341  -1.082
  181    HB3  LEU  27           2HB      LEU  27  -2.744   3.044  -1.119
  182    HG   LEU  27           HG       LEU  27  -0.375   3.699  -1.256
  183   HD11  LEU  27          1HD1      LEU  27   0.738   1.872  -0.049
  184   HD12  LEU  27          2HD1      LEU  27   1.357   1.975  -1.691
  185   HD13  LEU  27          3HD1      LEU  27   0.194   0.699  -1.279
  186   HD21  LEU  27          3HD2      LEU  27  -1.667   3.217  -3.320
  187   HD22  LEU  27          1HD2      LEU  27  -1.085   1.536  -3.265
  188   HD23  LEU  27          2HD2      LEU  27   0.063   2.870  -3.511
  189    H    GLN  28           H        GLN  28  -3.250   4.619   0.904
  190    HA   GLN  28           HA       GLN  28  -1.178   6.524   1.344
  191    HB2  GLN  28           1HB      GLN  28  -4.102   6.496   2.189
  192    HB3  GLN  28           2HB      GLN  28  -3.066   7.895   2.407
  193    HG2  GLN  28           1HG      GLN  28  -3.582   6.581  -0.299
  194    HG3  GLN  28           2HG      GLN  28  -4.506   7.924   0.354
  195   HE21  GLN  28          1HE2      GLN  28  -3.136   8.124  -2.132
  196   HE22  GLN  28          2HE2      GLN  28  -1.830   9.281  -1.914
  197    H    ALA  29           H        ALA  29  -3.103   4.736   3.778
  198    HA   ALA  29           HA       ALA  29  -1.710   5.716   6.067
  199    HB1  ALA  29           1HB      ALA  29  -2.788   3.846   7.231
  200    HB2  ALA  29           2HB      ALA  29  -3.926   4.632   6.122
  201    HB3  ALA  29           3HB      ALA  29  -3.182   3.079   5.682
  202    H    HIS  30           H        HIS  30  -0.543   3.499   3.675
  203    HA   HIS  30           HA       HIS  30   1.719   2.571   5.403
  204    HB2  HIS  30           1HB      HIS  30   0.575   0.879   4.105
  205    HB3  HIS  30           2HB      HIS  30   0.770   1.802   2.620
  206    HD1  HIS  30           1HD      HIS  30   2.874  -0.290   5.058
  207    HD2  HIS  30           2HD      HIS  30   3.127   1.814   1.426
  208    HE1  HIS  30           1HE      HIS  30   5.154  -0.853   4.093
  209    H    LEU  31           H        LEU  31   1.091   4.791   2.619
  210    HA   LEU  31           HA       LEU  31   3.832   5.293   2.026
  211    HB2  LEU  31           1HB      LEU  31   1.573   7.311   1.921
  212    HB3  LEU  31           2HB      LEU  31   3.130   7.451   1.125
  213    HG   LEU  31           HG       LEU  31   0.872   5.558   0.427
  214   HD11  LEU  31          1HD1      LEU  31   0.720   7.872  -0.397
  215   HD12  LEU  31          2HD1      LEU  31   0.928   6.703  -1.711
  216   HD13  LEU  31          3HD1      LEU  31   2.306   7.691  -1.178
  217   HD21  LEU  31          3HD2      LEU  31   2.290   4.724  -1.413
  218   HD22  LEU  31          1HD2      LEU  31   2.926   4.254   0.162
  219   HD23  LEU  31          2HD2      LEU  31   3.682   5.598  -0.726
  220    H    LYS  32           H        LYS  32   1.810   6.761   4.570
  221    HA   LYS  32           HA       LYS  32   3.692   8.696   5.466
  222    HB2  LYS  32           1HB      LYS  32   2.370   8.879   7.459
  223    HB3  LYS  32           2HB      LYS  32   1.318   8.739   6.048
  224    HG2  LYS  32           1HG      LYS  32   0.897   6.363   6.580
  225    HG3  LYS  32           2HG      LYS  32   1.987   6.465   7.978
  226    HD2  LYS  32           1HD      LYS  32   0.510   8.244   8.949
  227    HD3  LYS  32           2HD      LYS  32  -0.616   8.006   7.593
  228    HE2  LYS  32           1HE      LYS  32  -0.883   5.618   8.250
  229    HE3  LYS  32           2HE      LYS  32   0.256   5.851   9.577
  230    HZ1  LYS  32           3HZ      LYS  32  -2.356   7.253   9.324
  231    HZ2  LYS  32           1HZ      LYS  32  -1.296   7.457  10.551
  232    HZ3  LYS  32           2HZ      LYS  32  -2.040   6.021  10.348
  233    H    VAL  33           H        VAL  33   3.777   5.286   5.968
  234    HA   VAL  33           HA       VAL  33   5.464   5.089   8.274
  235    HB   VAL  33           HB       VAL  33   5.301   3.282   5.826
  236   HG11  VAL  33          1HG1      VAL  33   6.092   2.626   8.662
  237   HG12  VAL  33          2HG1      VAL  33   5.827   1.466   7.332
  238   HG13  VAL  33          3HG1      VAL  33   7.153   2.635   7.225
  239   HG21  VAL  33          3HG2      VAL  33   3.693   3.075   8.419
  240   HG22  VAL  33          1HG2      VAL  33   3.019   3.647   6.885
  241   HG23  VAL  33          2HG2      VAL  33   3.608   1.990   7.006
  242    H    HIS  34           H        HIS  34   6.096   5.821   4.864
  243    HA   HIS  34           HA       HIS  34   9.022   5.612   5.184
  244    HB2  HIS  34           1HB      HIS  34   7.309   6.303   2.771
  245    HB3  HIS  34           2HB      HIS  34   9.043   5.986   2.768
  246    HD1  HIS  34           1HD      HIS  34   9.541   3.350   4.023
  247    HD2  HIS  34           2HD      HIS  34   5.927   4.227   2.048
  248    HE1  HIS  34           1HE      HIS  34   8.517   1.104   3.415
  249    H    THR  35           H        THR  35   6.567   8.190   4.977
  250    HA   THR  35           HA       THR  35   8.600  10.297   4.691
  251    HB   THR  35           HB       THR  35   6.792  11.872   4.891
  252    HG1  THR  35           1HG      THR  35   4.684  11.138   5.205
  253   HG21  THR  35          3HG2      THR  35   7.126  10.749   2.685
  254   HG22  THR  35          1HG2      THR  35   5.458  11.280   2.956
  255   HG23  THR  35          2HG2      THR  35   5.875   9.563   3.123
  256    H    ALA  36           H        ALA  36   6.802   8.812   7.346
  257    HA   ALA  36           HA       ALA  36   6.913   8.967   9.571
  258    HB1  ALA  36           1HB      ALA  36   9.845   9.569   9.059
  259    HB2  ALA  36           2HB      ALA  36   9.143   8.896  10.546
  260    HB3  ALA  36           3HB      ALA  36   9.088   7.959   9.041
  261    H    LEU  37           H        LEU  37   5.830  11.280   8.536
  262    HA   LEU  37           HA       LEU  37   6.955  13.611   9.923
  263    HB2  LEU  37           1HB      LEU  37   4.517  13.299   8.136
  264    HB3  LEU  37           2HB      LEU  37   5.110  14.818   8.803
  265    HG   LEU  37           HG       LEU  37   6.616  13.037   6.840
  266   HD11  LEU  37          1HD1      LEU  37   4.670  14.185   5.854
  267   HD12  LEU  37          2HD1      LEU  37   6.194  14.836   5.230
  268   HD13  LEU  37          3HD1      LEU  37   5.279  15.743   6.456
  269   HD21  LEU  37          3HD2      LEU  37   7.340  15.773   7.976
  270   HD22  LEU  37          1HD2      LEU  37   8.163  14.977   6.615
  271   HD23  LEU  37          2HD2      LEU  37   8.230  14.249   8.219
  272    H    ASP  38           H        ASP  38   6.591  13.853  11.891
  273    HA   ASP  38           HA       ASP  38   3.888  13.555  13.141
  274    HB2  ASP  38           1HB      ASP  38   5.269  11.638  13.798
  275    HB3  ASP  38           2HB      ASP  38   6.549  12.714  14.345
  Start of MODEL   16
    1    H1   GLY   1           1H       GLY   1  -0.129 -13.261   5.497
    2    H2   GLY   1           2H       GLY   1  -1.636 -13.151   4.863
    3    H3   GLY   1           3H       GLY   1  -0.703 -11.811   4.990
    4    HA2  GLY   1           1HA      GLY   1   0.884 -12.688   3.401
    5    HA3  GLY   1           2HA      GLY   1  -0.143 -14.126   3.252
    6    H    SER   2           H        SER   2  -0.581 -13.841   1.059
    7    HA   SER   2           HA       SER   2  -1.657 -11.357  -0.027
    8    HB2  SER   2           1HB      SER   2  -0.242 -13.047  -1.269
    9    HB3  SER   2           2HB      SER   2  -1.669 -14.102  -1.315
   10    HG   SER   2           HG       SER   2  -1.446 -12.749  -3.189
   11    H    SER   3           H        SER   3  -3.733 -11.369  -1.282
   12    HA   SER   3           HA       SER   3  -5.960 -11.717   0.458
   13    HB2  SER   3           1HB      SER   3  -5.917 -11.263  -2.550
   14    HB3  SER   3           2HB      SER   3  -7.313 -11.032  -1.481
   15    HG   SER   3           HG       SER   3  -6.225  -9.063  -1.848
   16    H    GLY   4           H        GLY   4  -7.698 -13.119   0.483
   17    HA2  GLY   4           1HA      GLY   4  -7.258 -15.860  -0.269
   18    HA3  GLY   4           2HA      GLY   4  -8.725 -15.174   0.429
   19    H    SER   5           H        SER   5  -8.667 -13.263  -2.052
   20    HA   SER   5           HA       SER   5  -9.621 -15.104  -4.197
   21    HB2  SER   5           1HB      SER   5 -11.092 -12.632  -3.199
   22    HB3  SER   5           2HB      SER   5 -11.518 -13.580  -4.634
   23    HG   SER   5           HG       SER   5 -12.755 -14.178  -2.787
   24    H    SER   6           H        SER   6  -9.495 -14.252  -6.312
   25    HA   SER   6           HA       SER   6  -7.243 -12.591  -6.850
   26    HB2  SER   6           1HB      SER   6  -9.485 -13.434  -8.723
   27    HB3  SER   6           2HB      SER   6  -7.890 -12.817  -9.199
   28    HG   SER   6           HG       SER   6  -7.981 -15.117  -9.235
   29    H    GLY   7           H        GLY   7  -7.032 -10.556  -7.766
   30    HA2  GLY   7           1HA      GLY   7  -9.072  -8.791  -8.610
   31    HA3  GLY   7           2HA      GLY   7  -8.765  -8.468  -6.900
   32    H    ILE   8           H        ILE   8  -8.280  -6.380  -8.337
   33    HA   ILE   8           HA       ILE   8  -5.431  -6.289  -9.198
   34    HB   ILE   8           HB       ILE   8  -7.570  -4.150  -9.394
   35   HG12  ILE   8          1HG1      ILE   8  -8.255  -5.974 -10.826
   36   HG13  ILE   8          2HG1      ILE   8  -7.671  -4.638 -11.797
   37   HG21  ILE   8          1HG2      ILE   8  -4.762  -4.325 -10.573
   38   HG22  ILE   8          2HG2      ILE   8  -5.980  -3.115 -11.027
   39   HG23  ILE   8          3HG2      ILE   8  -5.359  -3.155  -9.379
   40   HD11  ILE   8          3HD1      ILE   8  -5.524  -5.845 -12.188
   41   HD12  ILE   8          1HD1      ILE   8  -6.124  -7.204 -11.205
   42   HD13  ILE   8          2HD1      ILE   8  -6.932  -6.776 -12.721
   43    H    LEU   9           H        LEU   9  -3.924  -5.740  -7.809
   44    HA   LEU   9           HA       LEU   9  -4.566  -4.148  -5.382
   45    HB2  LEU   9           1HB      LEU   9  -2.360  -6.137  -6.023
   46    HB3  LEU   9           2HB      LEU   9  -2.252  -4.981  -4.702
   47    HG   LEU   9           HG       LEU   9  -4.398  -5.862  -3.783
   48   HD11  LEU   9          1HD1      LEU   9  -4.993  -8.235  -4.359
   49   HD12  LEU   9          2HD1      LEU   9  -3.948  -8.104  -5.791
   50   HD13  LEU   9          3HD1      LEU   9  -5.396  -7.082  -5.621
   51   HD21  LEU   9          3HD2      LEU   9  -2.219  -6.467  -2.842
   52   HD22  LEU   9          1HD2      LEU   9  -2.076  -7.812  -3.997
   53   HD23  LEU   9          2HD2      LEU   9  -3.335  -7.831  -2.742
   54    H    LEU  10           H        LEU  10  -3.424  -2.436  -4.766
   55    HA   LEU  10           HA       LEU  10  -1.776  -0.933  -6.725
   56    HB2  LEU  10           1HB      LEU  10  -2.765  -0.095  -3.975
   57    HB3  LEU  10           2HB      LEU  10  -2.113   0.943  -5.247
   58    HG   LEU  10           HG       LEU  10  -4.801  -0.502  -5.318
   59   HD11  LEU  10          1HD1      LEU  10  -4.116   2.442  -4.958
   60   HD12  LEU  10          2HD1      LEU  10  -4.697   1.336  -3.691
   61   HD13  LEU  10          3HD1      LEU  10  -5.748   1.742  -5.058
   62   HD21  LEU  10          3HD2      LEU  10  -3.900  -0.205  -7.599
   63   HD22  LEU  10          1HD2      LEU  10  -3.580   1.513  -7.262
   64   HD23  LEU  10          2HD2      LEU  10  -5.249   0.902  -7.311
   65    H    LYS  11           H        LYS  11   0.323  -0.138  -6.032
   66    HA   LYS  11           HA       LYS  11   1.608  -1.792  -3.899
   67    HB2  LYS  11           1HB      LYS  11   2.084  -2.002  -6.693
   68    HB3  LYS  11           2HB      LYS  11   3.453  -1.090  -6.054
   69    HG2  LYS  11           1HG      LYS  11   3.592  -2.918  -4.219
   70    HG3  LYS  11           2HG      LYS  11   2.418  -3.813  -5.193
   71    HD2  LYS  11           1HD      LYS  11   4.587  -4.669  -5.662
   72    HD3  LYS  11           2HD      LYS  11   4.090  -3.757  -7.099
   73    HE2  LYS  11           1HE      LYS  11   5.527  -1.898  -6.509
   74    HE3  LYS  11           2HE      LYS  11   5.774  -2.524  -4.873
   75    HZ1  LYS  11           3HZ      LYS  11   7.686  -2.993  -6.290
   76    HZ2  LYS  11           1HZ      LYS  11   6.767  -3.862  -7.328
   77    HZ3  LYS  11           2HZ      LYS  11   6.991  -4.388  -5.787
   78    H    CYS  12           H        CYS  12   3.267  -1.004  -2.735
   79    HA   CYS  12           HA       CYS  12   3.500   1.812  -2.281
   80    HB2  CYS  12           1HB      CYS  12   3.807   0.023  -0.614
   81    HB3  CYS  12           2HB      CYS  12   5.278  -0.505  -1.461
   82    HA   PRO  13           HA       PRO  13   6.461   2.468  -5.622
   83    HB2  PRO  13           1HB      PRO  13   6.746   5.151  -5.508
   84    HB3  PRO  13           2HB      PRO  13   5.164   4.400  -5.883
   85    HG2  PRO  13           1HG      PRO  13   6.150   5.405  -3.185
   86    HG3  PRO  13           2HG      PRO  13   4.603   5.790  -4.006
   87    HD2  PRO  13           1HD      PRO  13   4.840   3.799  -2.127
   88    HD3  PRO  13           2HD      PRO  13   3.703   3.686  -3.505
   89    H    THR  14           H        THR  14   7.317   2.931  -2.289
   90    HA   THR  14           HA       THR  14   9.801   4.293  -2.645
   91    HB   THR  14           HB       THR  14   8.899   2.629  -0.270
   92    HG1  THR  14           1HG      THR  14   8.096   4.598   0.452
   93   HG21  THR  14          3HG2      THR  14  10.292   4.284   1.014
   94   HG22  THR  14          1HG2      THR  14  10.908   4.917  -0.525
   95   HG23  THR  14          2HG2      THR  14  11.257   3.242  -0.032
   96    H    ASP  15           H        ASP  15  11.929   3.640  -2.698
   97    HA   ASP  15           HA       ASP  15  12.573   1.141  -3.879
   98    HB2  ASP  15           1HB      ASP  15  13.915   3.174  -4.152
   99    HB3  ASP  15           2HB      ASP  15  14.343   3.150  -2.441
  100    H    GLY  16           H        GLY  16  13.230  -0.795  -3.124
  101    HA2  GLY  16           1HA      GLY  16  13.792  -2.503  -1.674
  102    HA3  GLY  16           2HA      GLY  16  14.033  -1.331  -0.379
  103    H    CYS  17           H        CYS  17  10.970  -0.652  -1.415
  104    HA   CYS  17           HA       CYS  17   9.647  -2.484   0.521
  105    HB2  CYS  17           1HB      CYS  17   9.591   0.064   0.728
  106    HB3  CYS  17           2HB      CYS  17   8.532   0.043  -0.697
  107    H    ASP  18           H        ASP  18   7.814  -3.604  -0.054
  108    HA   ASP  18           HA       ASP  18   6.982  -3.755  -2.892
  109    HB2  ASP  18           1HB      ASP  18   8.922  -5.363  -2.446
  110    HB3  ASP  18           2HB      ASP  18   7.825  -6.262  -1.400
  111    H    TYR  19           H        TYR  19   5.829  -3.002  -0.163
  112    HA   TYR  19           HA       TYR  19   3.708  -4.780   0.543
  113    HB2  TYR  19           1HB      TYR  19   4.421  -3.044   2.038
  114    HB3  TYR  19           2HB      TYR  19   4.167  -1.802   0.831
  115    HD1  TYR  19           1HD      TYR  19   1.893  -0.974   0.285
  116    HD2  TYR  19           2HD      TYR  19   2.526  -3.985   3.315
  117    HE1  TYR  19           1HE      TYR  19  -0.386  -0.569   1.167
  118    HE2  TYR  19           2HE      TYR  19   0.225  -3.590   4.179
  119    HH   TYR  19           HH       TYR  19  -1.712  -2.387   3.957
  120    H    SER  20           H        SER  20   1.648  -5.033  -0.172
  121    HA   SER  20           HA       SER  20   0.544  -3.203  -2.207
  122    HB2  SER  20           1HB      SER  20  -0.268  -5.095  -3.570
  123    HB3  SER  20           2HB      SER  20   1.503  -4.996  -3.517
  124    HG   SER  20           HG       SER  20   0.813  -7.140  -3.211
  125    H    THR  21           H        THR  21  -1.678  -3.134  -2.416
  126    HA   THR  21           HA       THR  21  -3.449  -4.695  -0.685
  127    HB   THR  21           HB       THR  21  -2.715  -3.099   0.956
  128    HG1  THR  21           1HG      THR  21  -4.773  -3.302   1.327
  129   HG21  THR  21          3HG2      THR  21  -1.890  -1.269  -0.526
  130   HG22  THR  21          1HG2      THR  21  -2.983  -0.701   0.743
  131   HG23  THR  21          2HG2      THR  21  -3.571  -0.861  -0.923
  132    HA   PRO  22           HA       PRO  22  -6.129  -3.386  -4.062
  133    HB2  PRO  22           1HB      PRO  22  -8.574  -4.222  -3.224
  134    HB3  PRO  22           2HB      PRO  22  -7.271  -5.359  -3.683
  135    HG2  PRO  22           1HG      PRO  22  -8.015  -4.419  -0.892
  136    HG3  PRO  22           2HG      PRO  22  -7.786  -6.105  -1.463
  137    HD2  PRO  22           1HD      PRO  22  -5.809  -4.722  -0.207
  138    HD3  PRO  22           2HD      PRO  22  -5.435  -5.854  -1.529
  139    H    ASP  23           H        ASP  23  -6.126  -1.865  -0.983
  140    HA   ASP  23           HA       ASP  23  -8.289   0.047  -1.759
  141    HB2  ASP  23           1HB      ASP  23  -8.443  -1.333   0.418
  142    HB3  ASP  23           2HB      ASP  23  -7.104  -0.374   0.961
  143    H    LYS  24           H        LYS  24  -7.868   2.088  -2.205
  144    HA   LYS  24           HA       LYS  24  -5.313   3.303  -2.437
  145    HB2  LYS  24           1HB      LYS  24  -7.281   4.060  -3.662
  146    HB3  LYS  24           2HB      LYS  24  -8.149   4.387  -2.160
  147    HG2  LYS  24           1HG      LYS  24  -6.538   6.235  -1.647
  148    HG3  LYS  24           2HG      LYS  24  -5.751   5.949  -3.214
  149    HD2  LYS  24           1HD      LYS  24  -7.828   6.524  -4.389
  150    HD3  LYS  24           2HD      LYS  24  -8.717   6.572  -2.855
  151    HE2  LYS  24           1HE      LYS  24  -7.131   8.420  -2.106
  152    HE3  LYS  24           2HE      LYS  24  -6.526   8.477  -3.769
  153    HZ1  LYS  24           3HZ      LYS  24  -8.834   8.968  -4.476
  154    HZ2  LYS  24           1HZ      LYS  24  -8.295  10.101  -3.433
  155    HZ3  LYS  24           2HZ      LYS  24  -9.338   8.953  -2.915
  156    H    TYR  25           H        TYR  25  -7.600   3.449   0.325
  157    HA   TYR  25           HA       TYR  25  -5.964   5.500   1.639
  158    HB2  TYR  25           1HB      TYR  25  -8.467   4.099   2.612
  159    HB3  TYR  25           2HB      TYR  25  -7.713   5.528   3.311
  160    HD1  TYR  25           1HD      TYR  25  -7.436   7.625   1.796
  161    HD2  TYR  25           2HD      TYR  25 -10.053   4.332   0.833
  162    HE1  TYR  25           1HE      TYR  25  -8.612   9.047   0.124
  163    HE2  TYR  25           2HE      TYR  25 -11.236   5.760  -0.830
  164    HH   TYR  25           HH       TYR  25 -11.369   7.825  -1.815
  165    H    LYS  26           H        LYS  26  -6.490   1.983   1.940
  166    HA   LYS  26           HA       LYS  26  -4.779   1.639   4.267
  167    HB2  LYS  26           1HB      LYS  26  -5.219  -0.283   1.950
  168    HB3  LYS  26           2HB      LYS  26  -4.467  -0.674   3.483
  169    HG2  LYS  26           1HG      LYS  26  -6.582  -0.106   4.684
  170    HG3  LYS  26           2HG      LYS  26  -7.372   0.189   3.145
  171    HD2  LYS  26           1HD      LYS  26  -6.875  -2.185   2.475
  172    HD3  LYS  26           2HD      LYS  26  -6.138  -2.446   4.069
  173    HE2  LYS  26           1HE      LYS  26  -8.295  -1.834   5.156
  174    HE3  LYS  26           2HE      LYS  26  -9.029  -1.595   3.564
  175    HZ1  LYS  26           3HZ      LYS  26  -7.943  -4.176   4.570
  176    HZ2  LYS  26           1HZ      LYS  26  -8.620  -3.957   3.097
  177    HZ3  LYS  26           2HZ      LYS  26  -9.525  -3.803   4.446
  178    H    LEU  27           H        LEU  27  -4.052   1.857   0.749
  179    HA   LEU  27           HA       LEU  27  -1.234   1.547   1.079
  180    HB2  LEU  27           1HB      LEU  27  -2.425   1.343  -1.095
  181    HB3  LEU  27           2HB      LEU  27  -2.733   3.073  -1.074
  182    HG   LEU  27           HG       LEU  27  -0.339   3.576  -1.198
  183   HD11  LEU  27          1HD1      LEU  27   0.680   1.684  -0.016
  184   HD12  LEU  27          2HD1      LEU  27   1.303   1.762  -1.659
  185   HD13  LEU  27          3HD1      LEU  27   0.070   0.549  -1.250
  186   HD21  LEU  27          3HD2      LEU  27   0.065   2.800  -3.458
  187   HD22  LEU  27          1HD2      LEU  27  -1.663   3.165  -3.274
  188   HD23  LEU  27          2HD2      LEU  27  -1.100   1.477  -3.246
  189    H    GLN  28           H        GLN  28  -3.206   4.602   0.971
  190    HA   GLN  28           HA       GLN  28  -1.055   6.401   1.385
  191    HB2  GLN  28           1HB      GLN  28  -3.975   6.499   2.257
  192    HB3  GLN  28           2HB      GLN  28  -2.841   7.827   2.546
  193    HG2  GLN  28           1HG      GLN  28  -2.308   7.921   0.164
  194    HG3  GLN  28           2HG      GLN  28  -3.494   6.681  -0.203
  195   HE21  GLN  28          1HE2      GLN  28  -3.859   8.967  -1.577
  196   HE22  GLN  28          2HE2      GLN  28  -5.156   9.928  -0.877
  197    H    ALA  29           H        ALA  29  -2.972   4.690   3.831
  198    HA   ALA  29           HA       ALA  29  -1.577   5.612   6.137
  199    HB1  ALA  29           1HB      ALA  29  -3.757   4.458   6.184
  200    HB2  ALA  29           2HB      ALA  29  -2.973   2.943   5.683
  201    HB3  ALA  29           3HB      ALA  29  -2.580   3.670   7.254
  202    H    HIS  30           H        HIS  30  -0.539   3.210   3.752
  203    HA   HIS  30           HA       HIS  30   1.819   2.424   5.398
  204    HB2  HIS  30           1HB      HIS  30   0.669   0.693   4.125
  205    HB3  HIS  30           2HB      HIS  30   0.878   1.599   2.627
  206    HD1  HIS  30           1HD      HIS  30   2.950  -0.464   5.124
  207    HD2  HIS  30           2HD      HIS  30   3.285   1.647   1.509
  208    HE1  HIS  30           1HE      HIS  30   5.267  -0.997   4.229
  209    H    LEU  31           H        LEU  31   1.131   4.572   2.551
  210    HA   LEU  31           HA       LEU  31   3.867   5.176   1.979
  211    HB2  LEU  31           1HB      LEU  31   1.491   7.057   1.909
  212    HB3  LEU  31           2HB      LEU  31   3.050   7.360   1.159
  213    HG   LEU  31           HG       LEU  31   1.065   5.205   0.340
  214   HD11  LEU  31          1HD1      LEU  31   0.838   6.520  -1.697
  215   HD12  LEU  31          2HD1      LEU  31   2.006   7.714  -1.086
  216   HD13  LEU  31          3HD1      LEU  31   0.435   7.508  -0.283
  217   HD21  LEU  31          3HD2      LEU  31   2.552   4.821  -1.586
  218   HD22  LEU  31          1HD2      LEU  31   3.324   4.363  -0.067
  219   HD23  LEU  31          2HD2      LEU  31   3.772   5.894  -0.859
  220    H    LYS  32           H        LYS  32   1.743   6.428   4.526
  221    HA   LYS  32           HA       LYS  32   3.453   8.356   5.702
  222    HB2  LYS  32           1HB      LYS  32   1.315   6.551   6.886
  223    HB3  LYS  32           2HB      LYS  32   2.143   7.806   7.817
  224    HG2  LYS  32           1HG      LYS  32   1.392   9.542   6.255
  225    HG3  LYS  32           2HG      LYS  32   0.568   8.334   5.261
  226    HD2  LYS  32           1HD      LYS  32  -0.893   7.746   7.189
  227    HD3  LYS  32           2HD      LYS  32  -0.071   8.978   8.173
  228    HE2  LYS  32           1HE      LYS  32  -0.765  10.724   6.531
  229    HE3  LYS  32           2HE      LYS  32  -1.608   9.492   5.583
  230    HZ1  LYS  32           3HZ      LYS  32  -3.130  10.666   7.069
  231    HZ2  LYS  32           1HZ      LYS  32  -2.269  10.239   8.385
  232    HZ3  LYS  32           2HZ      LYS  32  -3.053   9.099   7.515
  233    H    VAL  33           H        VAL  33   3.942   4.850   5.808
  234    HA   VAL  33           HA       VAL  33   5.680   4.981   8.134
  235    HB   VAL  33           HB       VAL  33   6.189   2.822   7.851
  236   HG11  VAL  33          1HG1      VAL  33   3.844   3.040   8.346
  237   HG12  VAL  33          2HG1      VAL  33   3.470   2.889   6.620
  238   HG13  VAL  33          3HG1      VAL  33   4.217   1.536   7.478
  239   HG21  VAL  33          3HG2      VAL  33   5.971   1.367   5.912
  240   HG22  VAL  33          1HG2      VAL  33   5.659   2.797   4.919
  241   HG23  VAL  33          2HG2      VAL  33   7.204   2.613   5.753
  242    H    HIS  34           H        HIS  34   6.054   5.769   4.820
  243    HA   HIS  34           HA       HIS  34   9.027   5.861   4.964
  244    HB2  HIS  34           1HB      HIS  34   7.168   6.179   2.581
  245    HB3  HIS  34           2HB      HIS  34   8.920   6.031   2.545
  246    HD1  HIS  34           1HD      HIS  34   9.804   3.502   3.618
  247    HD2  HIS  34           2HD      HIS  34   5.810   3.958   2.405
  248    HE1  HIS  34           1HE      HIS  34   8.902   1.151   3.298
  249    H    THR  35           H        THR  35   6.188   7.996   4.335
  250    HA   THR  35           HA       THR  35   7.886  10.294   3.763
  251    HB   THR  35           HB       THR  35   5.786  11.539   3.542
  252    HG1  THR  35           1HG      THR  35   3.850  10.452   3.786
  253   HG21  THR  35          3HG2      THR  35   4.871  10.344   1.626
  254   HG22  THR  35          1HG2      THR  35   5.660   8.837   2.135
  255   HG23  THR  35          2HG2      THR  35   6.638  10.225   1.618
  256    H    ALA  36           H        ALA  36   6.825   9.021   6.750
  257    HA   ALA  36           HA       ALA  36   6.709  11.530   8.213
  258    HB1  ALA  36           1HB      ALA  36   6.972   8.643   9.138
  259    HB2  ALA  36           2HB      ALA  36   6.660  10.045  10.186
  260    HB3  ALA  36           3HB      ALA  36   5.467   9.577   8.961
  261    H    LEU  37           H        LEU  37   8.631  12.529   7.407
  262    HA   LEU  37           HA       LEU  37  11.052  11.953   9.001
  263    HB2  LEU  37           1HB      LEU  37  11.332  10.800   6.822
  264    HB3  LEU  37           2HB      LEU  37  10.958  12.300   5.974
  265    HG   LEU  37           HG       LEU  37  13.021  13.342   6.906
  266   HD11  LEU  37          1HD1      LEU  37  13.551  10.553   8.034
  267   HD12  LEU  37          2HD1      LEU  37  13.318  12.042   8.978
  268   HD13  LEU  37          3HD1      LEU  37  14.739  11.873   7.949
  269   HD21  LEU  37          3HD2      LEU  37  13.480  10.681   5.494
  270   HD22  LEU  37          1HD2      LEU  37  14.607  12.057   5.539
  271   HD23  LEU  37          2HD2      LEU  37  13.050  12.219   4.713
  272    H    ASP  38           H        ASP  38  11.886  13.749   9.812
  273    HA   ASP  38           HA       ASP  38  10.664  16.363   9.315
  274    HB2  ASP  38           1HB      ASP  38  11.785  17.088  11.275
  275    HB3  ASP  38           2HB      ASP  38  11.050  15.530  11.598
  Start of MODEL   17
    1    H1   GLY   1           1H       GLY   1 -14.288 -11.952  -2.511
    2    H2   GLY   1           2H       GLY   1 -15.448 -13.110  -2.555
    3    H3   GLY   1           3H       GLY   1 -15.219 -12.124  -3.847
    4    HA2  GLY   1           1HA      GLY   1 -13.275 -14.106  -2.852
    5    HA3  GLY   1           2HA      GLY   1 -14.301 -14.313  -4.283
    6    H    SER   2           H        SER   2 -11.351 -14.290  -4.069
    7    HA   SER   2           HA       SER   2 -10.167 -11.854  -4.770
    8    HB2  SER   2           1HB      SER   2  -9.221 -14.640  -5.537
    9    HB3  SER   2           2HB      SER   2  -8.216 -13.190  -5.368
   10    HG   SER   2           HG       SER   2  -8.679 -13.162  -3.152
   11    H    SER   3           H        SER   3 -11.909 -13.982  -6.937
   12    HA   SER   3           HA       SER   3 -10.783 -12.934  -9.404
   13    HB2  SER   3           1HB      SER   3 -13.383 -14.439  -8.945
   14    HB3  SER   3           2HB      SER   3 -12.547 -14.208 -10.492
   15    HG   SER   3           HG       SER   3 -12.080 -16.253  -9.557
   16    H    GLY   4           H        GLY   4 -12.912 -11.495  -7.184
   17    HA2  GLY   4           1HA      GLY   4 -14.704 -10.112  -9.019
   18    HA3  GLY   4           2HA      GLY   4 -14.513  -9.840  -7.293
   19    H    SER   5           H        SER   5 -14.900  -7.609  -8.217
   20    HA   SER   5           HA       SER   5 -12.851  -6.169  -9.601
   21    HB2  SER   5           1HB      SER   5 -15.250  -5.473  -9.342
   22    HB3  SER   5           2HB      SER   5 -14.889  -5.024  -7.662
   23    HG   SER   5           HG       SER   5 -14.692  -3.259  -9.156
   24    H    SER   6           H        SER   6 -11.320  -4.672  -8.848
   25    HA   SER   6           HA       SER   6  -9.376  -4.279  -7.776
   26    HB2  SER   6           1HB      SER   6 -11.057  -4.289  -5.256
   27    HB3  SER   6           2HB      SER   6  -9.449  -3.569  -5.449
   28    HG   SER   6           HG       SER   6 -11.128  -2.024  -5.710
   29    H    GLY   7           H        GLY   7 -10.137  -7.199  -8.078
   30    HA2  GLY   7           1HA      GLY   7  -8.916  -8.720  -5.988
   31    HA3  GLY   7           2HA      GLY   7  -9.171  -9.227  -7.662
   32    H    ILE   8           H        ILE   8  -7.518  -6.997  -8.734
   33    HA   ILE   8           HA       ILE   8  -4.779  -8.013  -8.181
   34    HB   ILE   8           HB       ILE   8  -5.720  -5.986 -10.236
   35   HG12  ILE   8          1HG1      ILE   8  -6.675  -8.120 -10.844
   36   HG13  ILE   8          2HG1      ILE   8  -5.363  -7.726 -11.932
   37   HG21  ILE   8          1HG2      ILE   8  -3.023  -7.349  -9.832
   38   HG22  ILE   8          2HG2      ILE   8  -3.475  -6.395 -11.261
   39   HG23  ILE   8          3HG2      ILE   8  -3.388  -5.619  -9.679
   40   HD11  ILE   8          3HD1      ILE   8  -5.223  -9.741  -9.641
   41   HD12  ILE   8          1HD1      ILE   8  -5.339 -10.101 -11.370
   42   HD13  ILE   8          2HD1      ILE   8  -3.876  -9.336 -10.734
   43    H    LEU   9           H        LEU   9  -3.473  -6.997  -6.810
   44    HA   LEU   9           HA       LEU   9  -4.546  -4.813  -5.245
   45    HB2  LEU   9           1HB      LEU   9  -1.796  -6.060  -4.999
   46    HB3  LEU   9           2HB      LEU   9  -2.693  -5.166  -3.780
   47    HG   LEU   9           HG       LEU   9  -3.206  -7.966  -4.811
   48   HD11  LEU   9          1HD1      LEU   9  -2.918  -8.568  -2.443
   49   HD12  LEU   9          2HD1      LEU   9  -2.633  -6.860  -2.037
   50   HD13  LEU   9          3HD1      LEU   9  -1.500  -7.737  -3.091
   51   HD21  LEU   9          3HD2      LEU   9  -5.440  -6.944  -4.533
   52   HD22  LEU   9          1HD2      LEU   9  -4.966  -6.351  -2.927
   53   HD23  LEU   9          2HD2      LEU   9  -5.127  -8.092  -3.232
   54    H    LEU  10           H        LEU  10  -3.563  -2.883  -4.685
   55    HA   LEU  10           HA       LEU  10  -1.952  -1.465  -6.729
   56    HB2  LEU  10           1HB      LEU  10  -2.917  -0.502  -4.008
   57    HB3  LEU  10           2HB      LEU  10  -2.325   0.478  -5.350
   58    HG   LEU  10           HG       LEU  10  -4.961  -1.065  -5.316
   59   HD11  LEU  10          1HD1      LEU  10  -5.988   1.148  -5.133
   60   HD12  LEU  10          2HD1      LEU  10  -4.382   1.915  -5.082
   61   HD13  LEU  10          3HD1      LEU  10  -4.905   0.842  -3.764
   62   HD21  LEU  10          3HD2      LEU  10  -3.835   0.920  -7.344
   63   HD22  LEU  10          1HD2      LEU  10  -5.478   0.242  -7.353
   64   HD23  LEU  10          2HD2      LEU  10  -4.089  -0.821  -7.614
   65    H    LYS  11           H        LYS  11   0.177  -0.602  -6.123
   66    HA   LYS  11           HA       LYS  11   1.480  -1.987  -3.809
   67    HB2  LYS  11           1HB      LYS  11   2.625  -1.640  -6.605
   68    HB3  LYS  11           2HB      LYS  11   3.510  -2.194  -5.185
   69    HG2  LYS  11           1HG      LYS  11   1.675  -4.039  -4.991
   70    HG3  LYS  11           2HG      LYS  11   1.226  -3.578  -6.631
   71    HD2  LYS  11           1HD      LYS  11   2.693  -5.460  -6.785
   72    HD3  LYS  11           2HD      LYS  11   3.609  -4.051  -7.345
   73    HE2  LYS  11           1HE      LYS  11   4.708  -3.889  -5.112
   74    HE3  LYS  11           2HE      LYS  11   3.750  -5.255  -4.532
   75    HZ1  LYS  11           3HZ      LYS  11   4.860  -6.650  -6.190
   76    HZ2  LYS  11           1HZ      LYS  11   5.970  -5.946  -5.216
   77    HZ3  LYS  11           2HZ      LYS  11   5.742  -5.382  -6.733
   78    H    CYS  12           H        CYS  12   3.163  -1.079  -2.812
   79    HA   CYS  12           HA       CYS  12   3.242   1.761  -2.502
   80    HB2  CYS  12           1HB      CYS  12   3.738   0.085  -0.793
   81    HB3  CYS  12           2HB      CYS  12   5.210  -0.380  -1.669
   82    HA   PRO  13           HA       PRO  13   6.079   2.551  -5.946
   83    HB2  PRO  13           1HB      PRO  13   6.161   5.253  -5.876
   84    HB3  PRO  13           2HB      PRO  13   4.644   4.381  -6.254
   85    HG2  PRO  13           1HG      PRO  13   5.523   5.497  -3.564
   86    HG3  PRO  13           2HG      PRO  13   3.960   5.755  -4.407
   87    HD2  PRO  13           1HD      PRO  13   4.328   3.813  -2.493
   88    HD3  PRO  13           2HD      PRO  13   3.210   3.596  -3.875
   89    H    THR  14           H        THR  14   6.871   2.884  -2.649
   90    HA   THR  14           HA       THR  14   9.248   4.506  -2.873
   91    HB   THR  14           HB       THR  14   8.587   2.650  -0.566
   92    HG1  THR  14           1HG      THR  14   6.793   3.839  -0.768
   93   HG21  THR  14          3HG2      THR  14   9.667   4.485   0.747
   94   HG22  THR  14          1HG2      THR  14  10.084   5.304  -0.770
   95   HG23  THR  14          2HG2      THR  14  10.784   3.713  -0.378
   96    H    ASP  15           H        ASP  15  11.429   3.960  -2.926
   97    HA   ASP  15           HA       ASP  15  12.152   1.434  -4.081
   98    HB2  ASP  15           1HB      ASP  15  14.407   2.208  -4.021
   99    HB3  ASP  15           2HB      ASP  15  13.358   3.510  -4.563
  100    H    GLY  16           H        GLY  16  13.154  -0.354  -3.261
  101    HA2  GLY  16           1HA      GLY  16  13.827  -1.940  -1.729
  102    HA3  GLY  16           2HA      GLY  16  13.930  -0.696  -0.485
  103    H    CYS  17           H        CYS  17  10.842  -0.348  -1.563
  104    HA   CYS  17           HA       CYS  17   9.663  -2.120   0.503
  105    HB2  CYS  17           1HB      CYS  17   9.361   0.424   0.365
  106    HB3  CYS  17           2HB      CYS  17   8.314   0.101  -1.031
  107    H    ASP  18           H        ASP  18   7.837  -3.366   0.041
  108    HA   ASP  18           HA       ASP  18   7.157  -4.001  -2.773
  109    HB2  ASP  18           1HB      ASP  18   9.087  -5.465  -2.051
  110    HB3  ASP  18           2HB      ASP  18   8.031  -6.162  -0.820
  111    H    TYR  19           H        TYR  19   5.873  -2.866  -0.208
  112    HA   TYR  19           HA       TYR  19   3.799  -4.632   0.659
  113    HB2  TYR  19           1HB      TYR  19   4.485  -2.754   1.978
  114    HB3  TYR  19           2HB      TYR  19   4.156  -1.629   0.676
  115    HD1  TYR  19           2HD      TYR  19   2.657  -3.726   3.329
  116    HD2  TYR  19           1HD      TYR  19   1.847  -0.876   0.183
  117    HE1  TYR  19           2HE      TYR  19   0.391  -3.298   4.281
  118    HE2  TYR  19           1HE      TYR  19  -0.381  -0.430   1.157
  119    HH   TYR  19           HH       TYR  19  -1.841  -0.880   2.880
  120    H    SER  20           H        SER  20   1.680  -4.846   0.113
  121    HA   SER  20           HA       SER  20   0.550  -3.371  -2.158
  122    HB2  SER  20           1HB      SER  20  -0.184  -5.431  -3.294
  123    HB3  SER  20           2HB      SER  20   1.581  -5.305  -3.207
  124    HG   SER  20           HG       SER  20   0.966  -7.394  -2.637
  125    H    THR  21           H        THR  21  -1.685  -3.337  -2.297
  126    HA   THR  21           HA       THR  21  -3.395  -4.638  -0.296
  127    HB   THR  21           HB       THR  21  -2.495  -2.824   1.044
  128    HG1  THR  21           1HG      THR  21  -4.520  -3.026   1.602
  129   HG21  THR  21          3HG2      THR  21  -2.849  -0.481   0.526
  130   HG22  THR  21          1HG2      THR  21  -3.552  -0.881  -1.048
  131   HG23  THR  21          2HG2      THR  21  -1.836  -1.211  -0.727
  132    HA   PRO  22           HA       PRO  22  -6.180  -3.745  -3.704
  133    HB2  PRO  22           1HB      PRO  22  -8.605  -4.466  -2.729
  134    HB3  PRO  22           2HB      PRO  22  -7.300  -5.654  -3.021
  135    HG2  PRO  22           1HG      PRO  22  -8.036  -4.303  -0.398
  136    HG3  PRO  22           2HG      PRO  22  -7.793  -6.054  -0.705
  137    HD2  PRO  22           1HD      PRO  22  -5.831  -4.456   0.310
  138    HD3  PRO  22           2HD      PRO  22  -5.456  -5.807  -0.785
  139    H    ASP  23           H        ASP  23  -6.109  -1.821  -0.877
  140    HA   ASP  23           HA       ASP  23  -8.329  -0.041  -1.809
  141    HB2  ASP  23           1HB      ASP  23  -8.488  -1.244   0.472
  142    HB3  ASP  23           2HB      ASP  23  -7.143  -0.259   0.939
  143    H    LYS  24           H        LYS  24  -7.930   2.021  -2.372
  144    HA   LYS  24           HA       LYS  24  -5.239   3.017  -2.553
  145    HB2  LYS  24           1HB      LYS  24  -6.201   4.993  -3.538
  146    HB3  LYS  24           2HB      LYS  24  -6.937   3.544  -4.215
  147    HG2  LYS  24           1HG      LYS  24  -8.959   3.884  -2.836
  148    HG3  LYS  24           2HG      LYS  24  -8.219   5.301  -2.065
  149    HD2  LYS  24           1HD      LYS  24  -8.064   6.449  -4.218
  150    HD3  LYS  24           2HD      LYS  24  -8.762   5.060  -5.058
  151    HE2  LYS  24           1HE      LYS  24 -10.171   6.662  -2.877
  152    HE3  LYS  24           2HE      LYS  24 -10.331   6.994  -4.601
  153    HZ1  LYS  24           3HZ      LYS  24 -11.248   4.762  -4.900
  154    HZ2  LYS  24           1HZ      LYS  24 -12.143   5.601  -3.828
  155    HZ3  LYS  24           2HZ      LYS  24 -11.123   4.442  -3.301
  156    H    TYR  25           H        TYR  25  -7.552   3.381   0.049
  157    HA   TYR  25           HA       TYR  25  -6.085   5.694   1.187
  158    HB2  TYR  25           1HB      TYR  25  -8.449   4.170   2.313
  159    HB3  TYR  25           2HB      TYR  25  -7.755   5.655   2.932
  160    HD1  TYR  25           1HD      TYR  25  -7.761   7.752   1.416
  161    HD2  TYR  25           2HD      TYR  25 -10.147   4.243   0.634
  162    HE1  TYR  25           1HE      TYR  25  -9.285   9.109  -0.011
  163    HE2  TYR  25           2HE      TYR  25 -11.692   5.612  -0.765
  164    HH   TYR  25           HH       TYR  25 -11.176   9.117  -1.310
  165    H    LYS  26           H        LYS  26  -6.538   2.175   1.763
  166    HA   LYS  26           HA       LYS  26  -4.767   2.012   4.051
  167    HB2  LYS  26           1HB      LYS  26  -5.237  -0.067   1.879
  168    HB3  LYS  26           2HB      LYS  26  -4.465  -0.355   3.424
  169    HG2  LYS  26           1HG      LYS  26  -6.565   0.297   4.611
  170    HG3  LYS  26           2HG      LYS  26  -7.376   0.472   3.065
  171    HD2  LYS  26           1HD      LYS  26  -6.861  -1.946   2.569
  172    HD3  LYS  26           2HD      LYS  26  -6.111  -2.078   4.173
  173    HE2  LYS  26           1HE      LYS  26  -8.268  -1.400   5.224
  174    HE3  LYS  26           2HE      LYS  26  -9.013  -1.296   3.623
  175    HZ1  LYS  26           3HZ      LYS  26  -7.891  -3.775   4.825
  176    HZ2  LYS  26           1HZ      LYS  26  -8.582  -3.684   3.345
  177    HZ3  LYS  26           2HZ      LYS  26  -9.479  -3.431   4.684
  178    H    LEU  27           H        LEU  27  -4.094   2.006   0.538
  179    HA   LEU  27           HA       LEU  27  -1.264   1.708   0.786
  180    HB2  LEU  27           1HB      LEU  27  -2.498   1.392  -1.319
  181    HB3  LEU  27           2HB      LEU  27  -2.911   3.110  -1.341
  182    HG   LEU  27           HG       LEU  27  -0.529   3.706  -1.616
  183   HD11  LEU  27          1HD1      LEU  27   0.602   1.870  -0.454
  184   HD12  LEU  27          2HD1      LEU  27   1.122   1.921  -2.134
  185   HD13  LEU  27          3HD1      LEU  27  -0.050   0.690  -1.623
  186   HD21  LEU  27          3HD2      LEU  27  -1.938   3.251  -3.607
  187   HD22  LEU  27          1HD2      LEU  27  -1.406   1.555  -3.568
  188   HD23  LEU  27          2HD2      LEU  27  -0.233   2.851  -3.884
  189    H    GLN  28           H        GLN  28  -3.219   4.747   0.535
  190    HA   GLN  28           HA       GLN  28  -1.079   6.590   0.807
  191    HB2  GLN  28           1HB      GLN  28  -4.029   6.655   1.541
  192    HB3  GLN  28           2HB      GLN  28  -2.973   8.035   1.882
  193    HG2  GLN  28           1HG      GLN  28  -2.329   8.251  -0.379
  194    HG3  GLN  28           2HG      GLN  28  -3.151   6.780  -0.885
  195   HE21  GLN  28          1HE2      GLN  28  -5.463   6.747  -0.994
  196   HE22  GLN  28          2HE2      GLN  28  -6.391   8.254  -1.049
  197    H    ALA  29           H        ALA  29  -2.996   5.052   3.345
  198    HA   ALA  29           HA       ALA  29  -1.602   6.148   5.587
  199    HB1  ALA  29           1HB      ALA  29  -3.811   5.050   5.715
  200    HB2  ALA  29           2HB      ALA  29  -3.064   3.483   5.329
  201    HB3  ALA  29           3HB      ALA  29  -2.658   4.312   6.845
  202    H    HIS  30           H        HIS  30  -0.693   3.403   3.484
  203    HA   HIS  30           HA       HIS  30   1.618   2.661   5.179
  204    HB2  HIS  30           1HB      HIS  30   0.523   0.944   3.881
  205    HB3  HIS  30           2HB      HIS  30   0.748   1.843   2.384
  206    HD1  HIS  30           1HD      HIS  30   2.811  -0.216   4.891
  207    HD2  HIS  30           2HD      HIS  30   3.154   1.894   1.276
  208    HE1  HIS  30           1HE      HIS  30   5.138  -0.731   4.010
  209    H    LEU  31           H        LEU  31   1.116   4.821   2.318
  210    HA   LEU  31           HA       LEU  31   3.876   5.311   1.826
  211    HB2  LEU  31           1HB      LEU  31   1.683   7.396   1.752
  212    HB3  LEU  31           2HB      LEU  31   3.243   7.499   0.963
  213    HG   LEU  31           HG       LEU  31   0.968   5.634   0.228
  214   HD11  LEU  31          1HD1      LEU  31   0.941   6.887  -1.856
  215   HD12  LEU  31          2HD1      LEU  31   2.295   7.894  -1.295
  216   HD13  LEU  31          3HD1      LEU  31   0.719   7.979  -0.478
  217   HD21  LEU  31          3HD2      LEU  31   2.348   4.922  -1.681
  218   HD22  LEU  31          1HD2      LEU  31   3.057   4.412  -0.149
  219   HD23  LEU  31          2HD2      LEU  31   3.737   5.813  -1.010
  220    H    LYS  32           H        LYS  32   1.898   6.416   4.514
  221    HA   LYS  32           HA       LYS  32   3.647   8.403   5.601
  222    HB2  LYS  32           1HB      LYS  32   1.883   6.562   7.250
  223    HB3  LYS  32           2HB      LYS  32   2.417   8.190   7.637
  224    HG2  LYS  32           1HG      LYS  32   0.351   7.360   5.584
  225    HG3  LYS  32           2HG      LYS  32   0.092   8.233   7.086
  226    HD2  LYS  32           1HD      LYS  32   1.377  10.178   6.144
  227    HD3  LYS  32           2HD      LYS  32   1.586   9.269   4.640
  228    HE2  LYS  32           1HE      LYS  32  -0.209  10.751   4.244
  229    HE3  LYS  32           2HE      LYS  32  -0.894   9.130   4.385
  230    HZ1  LYS  32           3HZ      LYS  32  -2.180  10.790   5.633
  231    HZ2  LYS  32           1HZ      LYS  32  -0.888  11.186   6.544
  232    HZ3  LYS  32           2HZ      LYS  32  -1.561   9.699   6.674
  233    H    VAL  33           H        VAL  33   3.900   4.847   5.787
  234    HA   VAL  33           HA       VAL  33   5.481   4.766   8.158
  235    HB   VAL  33           HB       VAL  33   5.954   2.560   7.725
  236   HG11  VAL  33          1HG1      VAL  33   3.616   2.893   8.140
  237   HG12  VAL  33          2HG1      VAL  33   3.311   2.956   6.397
  238   HG13  VAL  33          3HG1      VAL  33   3.923   1.467   7.127
  239   HG21  VAL  33          3HG2      VAL  33   7.051   2.509   5.635
  240   HG22  VAL  33          1HG2      VAL  33   5.747   1.329   5.640
  241   HG23  VAL  33          2HG2      VAL  33   5.546   2.863   4.779
  242    H    HIS  34           H        HIS  34   6.344   5.551   4.898
  243    HA   HIS  34           HA       HIS  34   9.218   5.248   5.280
  244    HB2  HIS  34           1HB      HIS  34   7.571   6.318   2.962
  245    HB3  HIS  34           2HB      HIS  34   9.297   5.959   2.922
  246    HD1  HIS  34           1HD      HIS  34   9.848   3.228   3.620
  247    HD2  HIS  34           2HD      HIS  34   5.965   4.281   2.412
  248    HE1  HIS  34           1HE      HIS  34   8.685   1.053   3.043
  249    H    THR  35           H        THR  35   7.259   7.543   6.505
  250    HA   THR  35           HA       THR  35   9.512   9.479   6.659
  251    HB   THR  35           HB       THR  35   8.084  10.381   4.936
  252    HG1  THR  35           1HG      THR  35   9.020  11.879   6.265
  253   HG21  THR  35          3HG2      THR  35   5.894   9.425   5.486
  254   HG22  THR  35          1HG2      THR  35   5.811  11.183   5.363
  255   HG23  THR  35          2HG2      THR  35   5.809  10.418   6.962
  256    H    ALA  36           H        ALA  36   6.454   8.312   8.135
  257    HA   ALA  36           HA       ALA  36   6.761   9.848  10.534
  258    HB1  ALA  36           1HB      ALA  36   4.855   8.502  11.294
  259    HB2  ALA  36           2HB      ALA  36   4.607   9.037   9.621
  260    HB3  ALA  36           3HB      ALA  36   5.098   7.359   9.957
  261    H    LEU  37           H        LEU  37   8.312   6.919   9.577
  262    HA   LEU  37           HA       LEU  37   8.930   6.107  12.370
  263    HB2  LEU  37           1HB      LEU  37   9.463   4.667   9.752
  264    HB3  LEU  37           2HB      LEU  37   9.734   4.025  11.368
  265    HG   LEU  37           HG       LEU  37   7.015   4.706  10.167
  266   HD11  LEU  37          1HD1      LEU  37   6.664   2.281  10.222
  267   HD12  LEU  37          2HD1      LEU  37   8.294   2.037  10.887
  268   HD13  LEU  37          3HD1      LEU  37   8.087   2.677   9.243
  269   HD21  LEU  37          3HD2      LEU  37   7.718   3.503  12.878
  270   HD22  LEU  37          1HD2      LEU  37   6.085   3.580  12.177
  271   HD23  LEU  37          2HD2      LEU  37   6.932   5.072  12.589
  272    H    ASP  38           H        ASP  38  10.266   8.308  10.416
  273    HA   ASP  38           HA       ASP  38  13.078   7.608  10.422
  274    HB2  ASP  38           1HB      ASP  38  12.077   9.115   8.765
  275    HB3  ASP  38           2HB      ASP  38  11.671  10.271  10.031
  Start of MODEL   18
    1    H1   GLY   1           1H       GLY   1   4.919 -16.121  -5.287
    2    H2   GLY   1           2H       GLY   1   5.561 -15.851  -6.771
    3    H3   GLY   1           3H       GLY   1   6.530 -16.305  -5.530
    4    HA2  GLY   1           1HA      GLY   1   6.157 -18.165  -7.015
    5    HA3  GLY   1           2HA      GLY   1   5.492 -18.462  -5.398
    6    H    SER   2           H        SER   2   4.738 -19.483  -8.150
    7    HA   SER   2           HA       SER   2   2.439 -18.279  -9.169
    8    HB2  SER   2           1HB      SER   2   3.162 -21.230  -9.282
    9    HB3  SER   2           2HB      SER   2   2.123 -20.345 -10.416
   10    HG   SER   2           HG       SER   2   4.273 -20.566 -11.203
   11    H    SER   3           H        SER   3   2.570 -20.393  -6.375
   12    HA   SER   3           HA       SER   3  -0.246 -21.102  -6.349
   13    HB2  SER   3           1HB      SER   3   1.774 -21.132  -4.078
   14    HB3  SER   3           2HB      SER   3   0.236 -22.007  -4.139
   15    HG   SER   3           HG       SER   3   1.046 -23.238  -5.868
   16    H    GLY   4           H        GLY   4   1.275 -18.127  -5.648
   17    HA2  GLY   4           1HA      GLY   4  -0.252 -17.260  -3.363
   18    HA3  GLY   4           2HA      GLY   4   0.686 -16.246  -4.452
   19    H    SER   5           H        SER   5  -1.757 -15.503  -3.286
   20    HA   SER   5           HA       SER   5  -4.007 -15.742  -5.051
   21    HB2  SER   5           1HB      SER   5  -3.411 -13.628  -2.948
   22    HB3  SER   5           2HB      SER   5  -4.990 -13.962  -3.682
   23    HG   SER   5           HG       SER   5  -4.735 -15.014  -1.651
   24    H    SER   6           H        SER   6  -5.071 -14.046  -6.238
   25    HA   SER   6           HA       SER   6  -3.429 -11.781  -7.223
   26    HB2  SER   6           1HB      SER   6  -3.109 -13.742  -8.765
   27    HB3  SER   6           2HB      SER   6  -4.850 -13.695  -9.107
   28    HG   SER   6           HG       SER   6  -3.577 -12.498 -10.632
   29    H    GLY   7           H        GLY   7  -4.676 -10.145  -8.323
   30    HA2  GLY   7           1HA      GLY   7  -7.426  -9.860  -8.581
   31    HA3  GLY   7           2HA      GLY   7  -7.106  -9.507  -6.880
   32    H    ILE   8           H        ILE   8  -7.983  -7.381  -7.505
   33    HA   ILE   8           HA       ILE   8  -6.285  -5.627  -9.138
   34    HB   ILE   8           HB       ILE   8  -8.022  -3.915  -8.737
   35   HG12  ILE   8          1HG1      ILE   8  -9.667  -6.197  -7.529
   36   HG13  ILE   8          2HG1      ILE   8  -8.950  -4.897  -6.575
   37   HG21  ILE   8          1HG2      ILE   8  -9.477  -4.963 -10.396
   38   HG22  ILE   8          2HG2      ILE   8  -7.792  -5.442 -10.676
   39   HG23  ILE   8          3HG2      ILE   8  -8.909  -6.582  -9.909
   40   HD11  ILE   8          3HD1      ILE   8 -11.055  -4.567  -8.751
   41   HD12  ILE   8          1HD1      ILE   8 -11.275  -4.380  -7.003
   42   HD13  ILE   8          2HD1      ILE   8 -10.257  -3.226  -7.891
   43    H    LEU   9           H        LEU   9  -4.654  -6.285  -7.585
   44    HA   LEU   9           HA       LEU   9  -4.386  -4.770  -5.093
   45    HB2  LEU   9           1HB      LEU   9  -2.538  -6.581  -6.687
   46    HB3  LEU   9           2HB      LEU   9  -1.942  -5.652  -5.332
   47    HG   LEU   9           HG       LEU   9  -2.369  -7.924  -4.697
   48   HD11  LEU   9          1HD1      LEU   9  -2.656  -6.102  -3.021
   49   HD12  LEU   9          2HD1      LEU   9  -3.609  -7.549  -2.659
   50   HD13  LEU   9          3HD1      LEU   9  -4.409  -6.126  -3.348
   51   HD21  LEU   9          3HD2      LEU   9  -5.332  -7.475  -5.192
   52   HD22  LEU   9          1HD2      LEU   9  -4.560  -8.914  -4.503
   53   HD23  LEU   9          2HD2      LEU   9  -4.241  -8.480  -6.188
   54    H    LEU  10           H        LEU  10  -3.244  -3.034  -4.630
   55    HA   LEU  10           HA       LEU  10  -1.824  -1.470  -6.742
   56    HB2  LEU  10           1HB      LEU  10  -2.818  -0.535  -4.027
   57    HB3  LEU  10           2HB      LEU  10  -2.200   0.461  -5.343
   58    HG   LEU  10           HG       LEU  10  -4.843  -1.074  -5.404
   59   HD11  LEU  10          1HD1      LEU  10  -4.271   1.887  -4.996
   60   HD12  LEU  10          2HD1      LEU  10  -4.837   0.743  -3.757
   61   HD13  LEU  10          3HD1      LEU  10  -5.876   1.128  -5.139
   62   HD21  LEU  10          3HD2      LEU  10  -5.323   0.323  -7.383
   63   HD22  LEU  10          1HD2      LEU  10  -3.912  -0.707  -7.667
   64   HD23  LEU  10          2HD2      LEU  10  -3.689   1.020  -7.300
   65    H    LYS  11           H        LYS  11   0.287  -0.618  -6.099
   66    HA   LYS  11           HA       LYS  11   1.574  -1.976  -3.765
   67    HB2  LYS  11           1HB      LYS  11   2.394  -2.056  -6.653
   68    HB3  LYS  11           2HB      LYS  11   3.672  -1.891  -5.448
   69    HG2  LYS  11           1HG      LYS  11   2.878  -3.865  -4.246
   70    HG3  LYS  11           2HG      LYS  11   1.573  -4.091  -5.431
   71    HD2  LYS  11           1HD      LYS  11   3.238  -4.429  -7.210
   72    HD3  LYS  11           2HD      LYS  11   4.567  -4.148  -6.077
   73    HE2  LYS  11           1HE      LYS  11   2.496  -6.359  -5.715
   74    HE3  LYS  11           2HE      LYS  11   3.983  -6.588  -6.639
   75    HZ1  LYS  11           3HZ      LYS  11   3.974  -5.796  -3.766
   76    HZ2  LYS  11           1HZ      LYS  11   5.286  -6.132  -4.666
   77    HZ3  LYS  11           2HZ      LYS  11   4.222  -7.311  -4.322
   78    H    CYS  12           H        CYS  12   3.250  -1.063  -2.774
   79    HA   CYS  12           HA       CYS  12   3.338   1.769  -2.500
   80    HB2  CYS  12           1HB      CYS  12   3.797   0.070  -0.777
   81    HB3  CYS  12           2HB      CYS  12   5.284  -0.386  -1.632
   82    HA   PRO  13           HA       PRO  13   6.245   2.519  -5.892
   83    HB2  PRO  13           1HB      PRO  13   6.368   5.218  -5.823
   84    HB3  PRO  13           2HB      PRO  13   4.842   4.369  -6.219
   85    HG2  PRO  13           1HG      PRO  13   5.703   5.474  -3.518
   86    HG3  PRO  13           2HG      PRO  13   4.157   5.757  -4.380
   87    HD2  PRO  13           1HD      PRO  13   4.465   3.810  -2.462
   88    HD3  PRO  13           2HD      PRO  13   3.366   3.612  -3.861
   89    H    THR  14           H        THR  14   7.008   2.829  -2.587
   90    HA   THR  14           HA       THR  14   9.381   4.453  -2.788
   91    HB   THR  14           HB       THR  14   8.679   2.619  -0.476
   92    HG1  THR  14           1HG      THR  14   6.906   3.833  -0.718
   93   HG21  THR  14          3HG2      THR  14  10.886   3.646  -0.251
   94   HG22  THR  14          1HG2      THR  14   9.764   4.467   0.831
   95   HG23  THR  14          2HG2      THR  14  10.228   5.242  -0.692
   96    H    ASP  15           H        ASP  15  11.550   3.939  -2.819
   97    HA   ASP  15           HA       ASP  15  12.390   1.491  -4.003
   98    HB2  ASP  15           1HB      ASP  15  13.597   3.608  -4.249
   99    HB3  ASP  15           2HB      ASP  15  13.982   3.617  -2.525
  100    H    GLY  16           H        GLY  16  13.140  -0.402  -3.219
  101    HA2  GLY  16           1HA      GLY  16  13.772  -2.067  -1.752
  102    HA3  GLY  16           2HA      GLY  16  13.951  -0.871  -0.470
  103    H    CYS  17           H        CYS  17  10.851  -0.401  -1.540
  104    HA   CYS  17           HA       CYS  17   9.637  -2.205   0.489
  105    HB2  CYS  17           1HB      CYS  17   9.440   0.347   0.521
  106    HB3  CYS  17           2HB      CYS  17   8.383   0.170  -0.892
  107    H    ASP  18           H        ASP  18   7.785  -3.384  -0.017
  108    HA   ASP  18           HA       ASP  18   7.047  -3.819  -2.861
  109    HB2  ASP  18           1HB      ASP  18   8.947  -5.362  -2.257
  110    HB3  ASP  18           2HB      ASP  18   7.902  -6.099  -1.041
  111    H    TYR  19           H        TYR  19   5.850  -2.933  -0.087
  112    HA   TYR  19           HA       TYR  19   3.759  -4.667   0.688
  113    HB2  TYR  19           1HB      TYR  19   4.427  -2.825   2.059
  114    HB3  TYR  19           2HB      TYR  19   4.149  -1.670   0.770
  115    HD1  TYR  19           2HD      TYR  19   2.519  -3.752   3.362
  116    HD2  TYR  19           1HD      TYR  19   1.899  -0.871   0.206
  117    HE1  TYR  19           2HE      TYR  19   0.220  -3.310   4.208
  118    HE2  TYR  19           1HE      TYR  19  -0.370  -0.399   1.086
  119    HH   TYR  19           HH       TYR  19  -1.702  -2.093   3.950
  120    H    SER  20           H        SER  20   1.648  -4.921   0.119
  121    HA   SER  20           HA       SER  20   0.508  -3.322  -2.062
  122    HB2  SER  20           1HB      SER  20  -0.256  -5.234  -3.343
  123    HB3  SER  20           2HB      SER  20   1.503  -5.256  -3.209
  124    HG   SER  20           HG       SER  20   1.333  -6.838  -1.590
  125    H    THR  21           H        THR  21  -1.698  -3.291  -2.255
  126    HA   THR  21           HA       THR  21  -3.478  -4.752  -0.457
  127    HB   THR  21           HB       THR  21  -2.779  -3.074   1.112
  128    HG1  THR  21           1HG      THR  21  -4.719  -2.269   1.605
  129   HG21  THR  21          3HG2      THR  21  -3.600  -0.936  -0.902
  130   HG22  THR  21          1HG2      THR  21  -1.931  -1.311  -0.438
  131   HG23  THR  21          2HG2      THR  21  -3.055  -0.672   0.767
  132    HA   PRO  22           HA       PRO  22  -6.116  -3.549  -3.927
  133    HB2  PRO  22           1HB      PRO  22  -8.572  -4.353  -3.105
  134    HB3  PRO  22           2HB      PRO  22  -7.269  -5.519  -3.491
  135    HG2  PRO  22           1HG      PRO  22  -8.070  -4.464  -0.755
  136    HG3  PRO  22           2HG      PRO  22  -7.831  -6.171  -1.253
  137    HD2  PRO  22           1HD      PRO  22  -5.882  -4.720  -0.010
  138    HD3  PRO  22           2HD      PRO  22  -5.488  -5.940  -1.246
  139    H    ASP  23           H        ASP  23  -6.238  -2.089  -0.804
  140    HA   ASP  23           HA       ASP  23  -8.348  -0.116  -1.559
  141    HB2  ASP  23           1HB      ASP  23  -7.147  -1.089   1.035
  142    HB3  ASP  23           2HB      ASP  23  -7.930   0.480   0.954
  143    H    LYS  24           H        LYS  24  -7.752   1.766  -2.395
  144    HA   LYS  24           HA       LYS  24  -5.102   2.803  -2.393
  145    HB2  LYS  24           1HB      LYS  24  -6.029   4.807  -3.356
  146    HB3  LYS  24           2HB      LYS  24  -6.782   3.385  -4.073
  147    HG2  LYS  24           1HG      LYS  24  -8.798   3.738  -2.625
  148    HG3  LYS  24           2HG      LYS  24  -8.035   5.189  -1.945
  149    HD2  LYS  24           1HD      LYS  24  -7.948   6.217  -4.186
  150    HD3  LYS  24           2HD      LYS  24  -8.706   4.767  -4.888
  151    HE2  LYS  24           1HE      LYS  24 -10.689   5.118  -3.418
  152    HE3  LYS  24           2HE      LYS  24  -9.932   6.570  -2.753
  153    HZ1  LYS  24           3HZ      LYS  24  -9.989   7.542  -4.991
  154    HZ2  LYS  24           1HZ      LYS  24 -11.492   7.126  -4.516
  155    HZ3  LYS  24           2HZ      LYS  24 -10.698   6.202  -5.601
  156    H    TYR  25           H        TYR  25  -7.714   3.399  -0.081
  157    HA   TYR  25           HA       TYR  25  -6.443   5.579   1.284
  158    HB2  TYR  25           1HB      TYR  25  -8.438   3.593   2.426
  159    HB3  TYR  25           2HB      TYR  25  -8.123   5.229   2.985
  160    HD1  TYR  25           1HD      TYR  25  -8.403   7.110   1.023
  161    HD2  TYR  25           2HD      TYR  25 -10.360   3.262   1.128
  162    HE1  TYR  25           1HE      TYR  25 -10.208   7.979  -0.460
  163    HE2  TYR  25           2HE      TYR  25 -12.153   4.134  -0.356
  164    HH   TYR  25           HH       TYR  25 -12.973   5.946  -1.494
  165    H    LYS  26           H        LYS  26  -6.433   2.043   1.929
  166    HA   LYS  26           HA       LYS  26  -4.668   2.027   4.183
  167    HB2  LYS  26           1HB      LYS  26  -5.503   0.044   2.060
  168    HB3  LYS  26           2HB      LYS  26  -4.254  -0.350   3.219
  169    HG2  LYS  26           1HG      LYS  26  -6.381  -1.173   3.939
  170    HG3  LYS  26           2HG      LYS  26  -5.712  -0.021   5.092
  171    HD2  LYS  26           1HD      LYS  26  -7.311   1.670   4.467
  172    HD3  LYS  26           2HD      LYS  26  -7.924   0.694   3.131
  173    HE2  LYS  26           1HE      LYS  26  -8.117  -0.037   6.083
  174    HE3  LYS  26           2HE      LYS  26  -9.399   0.710   5.126
  175    HZ1  LYS  26           3HZ      LYS  26  -9.313  -1.286   3.646
  176    HZ2  LYS  26           1HZ      LYS  26  -9.779  -1.638   5.178
  177    HZ3  LYS  26           2HZ      LYS  26  -8.268  -1.995   4.683
  178    H    LEU  27           H        LEU  27  -4.016   1.906   0.640
  179    HA   LEU  27           HA       LEU  27  -1.191   1.688   0.925
  180    HB2  LEU  27           1HB      LEU  27  -2.413   1.225  -1.177
  181    HB3  LEU  27           2HB      LEU  27  -2.797   2.940  -1.324
  182    HG   LEU  27           HG       LEU  27  -0.421   3.503  -1.594
  183   HD11  LEU  27          1HD1      LEU  27   0.690   1.777  -0.256
  184   HD12  LEU  27          2HD1      LEU  27   1.251   1.690  -1.919
  185   HD13  LEU  27          3HD1      LEU  27   0.069   0.500  -1.338
  186   HD21  LEU  27          3HD2      LEU  27  -1.202   1.178  -3.381
  187   HD22  LEU  27          1HD2      LEU  27  -0.067   2.487  -3.774
  188   HD23  LEU  27          2HD2      LEU  27  -1.792   2.847  -3.572
  189    H    GLN  28           H        GLN  28  -3.207   4.673   0.549
  190    HA   GLN  28           HA       GLN  28  -1.085   6.570   0.762
  191    HB2  GLN  28           1HB      GLN  28  -4.007   6.639   1.621
  192    HB3  GLN  28           2HB      GLN  28  -2.961   8.043   1.752
  193    HG2  GLN  28           1HG      GLN  28  -3.421   6.571  -0.880
  194    HG3  GLN  28           2HG      GLN  28  -4.433   7.887  -0.306
  195   HE21  GLN  28          1HE2      GLN  28  -3.253   8.245  -2.743
  196   HE22  GLN  28          2HE2      GLN  28  -1.930   9.396  -2.598
  197    H    ALA  29           H        ALA  29  -3.003   5.037   3.389
  198    HA   ALA  29           HA       ALA  29  -1.559   6.241   5.549
  199    HB1  ALA  29           1HB      ALA  29  -2.605   4.476   6.901
  200    HB2  ALA  29           2HB      ALA  29  -3.774   5.168   5.761
  201    HB3  ALA  29           3HB      ALA  29  -3.045   3.580   5.435
  202    H    HIS  30           H        HIS  30  -0.698   3.414   3.535
  203    HA   HIS  30           HA       HIS  30   1.626   2.697   5.208
  204    HB2  HIS  30           1HB      HIS  30   0.521   0.977   3.914
  205    HB3  HIS  30           2HB      HIS  30   0.753   1.872   2.416
  206    HD1  HIS  30           1HD      HIS  30   2.790  -0.209   4.921
  207    HD2  HIS  30           2HD      HIS  30   3.169   1.908   1.313
  208    HE1  HIS  30           1HE      HIS  30   5.112  -0.749   4.045
  209    H    LEU  31           H        LEU  31   1.141   4.836   2.327
  210    HA   LEU  31           HA       LEU  31   3.900   5.320   1.839
  211    HB2  LEU  31           1HB      LEU  31   1.681   7.381   1.738
  212    HB3  LEU  31           2HB      LEU  31   3.248   7.521   0.982
  213    HG   LEU  31           HG       LEU  31   1.000   5.662   0.184
  214   HD11  LEU  31          1HD1      LEU  31   2.475   7.837  -1.333
  215   HD12  LEU  31          2HD1      LEU  31   0.879   8.007  -0.570
  216   HD13  LEU  31          3HD1      LEU  31   1.098   6.875  -1.915
  217   HD21  LEU  31          3HD2      LEU  31   3.058   4.363  -0.086
  218   HD22  LEU  31          1HD2      LEU  31   3.830   5.729  -0.928
  219   HD23  LEU  31          2HD2      LEU  31   2.444   4.878  -1.655
  220    H    LYS  32           H        LYS  32   1.924   6.454   4.507
  221    HA   LYS  32           HA       LYS  32   3.682   8.413   5.637
  222    HB2  LYS  32           1HB      LYS  32   1.873   6.564   7.227
  223    HB3  LYS  32           2HB      LYS  32   2.380   8.187   7.644
  224    HG2  LYS  32           1HG      LYS  32   0.464   7.403   5.416
  225    HG3  LYS  32           2HG      LYS  32   0.011   8.079   6.962
  226    HD2  LYS  32           1HD      LYS  32   1.724   9.568   4.914
  227    HD3  LYS  32           2HD      LYS  32  -0.040   9.683   5.024
  228    HE2  LYS  32           1HE      LYS  32   0.128  10.410   7.375
  229    HE3  LYS  32           2HE      LYS  32   1.895  10.342   7.285
  230    HZ1  LYS  32           3HZ      LYS  32   1.805  12.065   5.555
  231    HZ2  LYS  32           1HZ      LYS  32   1.083  12.603   6.914
  232    HZ3  LYS  32           2HZ      LYS  32   0.174  12.133   5.647
  233    H    VAL  33           H        VAL  33   3.929   4.855   5.759
  234    HA   VAL  33           HA       VAL  33   5.535   4.780   8.139
  235    HB   VAL  33           HB       VAL  33   5.973   2.580   7.737
  236   HG11  VAL  33          1HG1      VAL  33   3.321   2.947   6.419
  237   HG12  VAL  33          2HG1      VAL  33   3.932   1.479   7.189
  238   HG13  VAL  33          3HG1      VAL  33   3.634   2.934   8.161
  239   HG21  VAL  33          3HG2      VAL  33   7.047   2.489   5.634
  240   HG22  VAL  33          1HG2      VAL  33   5.750   1.302   5.686
  241   HG23  VAL  33          2HG2      VAL  33   5.527   2.811   4.790
  242    H    HIS  34           H        HIS  34   6.294   5.653   4.896
  243    HA   HIS  34           HA       HIS  34   9.198   5.368   5.237
  244    HB2  HIS  34           1HB      HIS  34   7.516   6.330   2.898
  245    HB3  HIS  34           2HB      HIS  34   9.249   6.003   2.867
  246    HD1  HIS  34           1HD      HIS  34   9.847   3.296   3.636
  247    HD2  HIS  34           2HD      HIS  34   5.947   4.257   2.412
  248    HE1  HIS  34           1HE      HIS  34   8.718   1.088   3.111
  249    H    THR  35           H        THR  35   7.050   7.718   6.238
  250    HA   THR  35           HA       THR  35   9.193   9.818   6.212
  251    HB   THR  35           HB       THR  35   7.420  11.525   6.109
  252    HG1  THR  35           1HG      THR  35   5.357  10.894   5.481
  253   HG21  THR  35          3HG2      THR  35   8.568  10.776   4.017
  254   HG22  THR  35          1HG2      THR  35   6.917  11.360   3.742
  255   HG23  THR  35          2HG2      THR  35   7.251   9.614   3.739
  256    H    ALA  36           H        ALA  36   6.448   8.436   8.036
  257    HA   ALA  36           HA       ALA  36   7.046  10.146  10.353
  258    HB1  ALA  36           1HB      ALA  36   4.746   9.844   9.493
  259    HB2  ALA  36           2HB      ALA  36   4.841   8.107   9.865
  260    HB3  ALA  36           3HB      ALA  36   4.911   9.302  11.174
  261    H    LEU  37           H        LEU  37   7.875   6.930   9.410
  262    HA   LEU  37           HA       LEU  37   8.512   6.164  12.219
  263    HB2  LEU  37           1HB      LEU  37   6.791   4.808  10.964
  264    HB3  LEU  37           2HB      LEU  37   8.069   4.319   9.860
  265    HG   LEU  37           HG       LEU  37   9.281   3.234  11.772
  266   HD11  LEU  37          1HD1      LEU  37   6.775   3.974  13.346
  267   HD12  LEU  37          2HD1      LEU  37   8.434   4.525  13.679
  268   HD13  LEU  37          3HD1      LEU  37   8.022   2.822  13.875
  269   HD21  LEU  37          3HD2      LEU  37   7.730   1.348  11.988
  270   HD22  LEU  37          1HD2      LEU  37   7.738   1.961  10.329
  271   HD23  LEU  37          2HD2      LEU  37   6.386   2.359  11.411
  272    H    ASP  38           H        ASP  38  10.239   7.849  11.439
  273    HA   ASP  38           HA       ASP  38  12.749   6.375  10.838
  274    HB2  ASP  38           1HB      ASP  38  11.983   7.317   8.702
  275    HB3  ASP  38           2HB      ASP  38  11.840   8.912   9.432
  Start of MODEL   19
    1    H1   GLY   1           1H       GLY   1 -13.097 -11.960 -19.933
    2    H2   GLY   1           2H       GLY   1 -14.412 -11.878 -20.903
    3    H3   GLY   1           3H       GLY   1 -13.843 -13.336 -20.417
    4    HA2  GLY   1           1HA      GLY   1 -15.824 -12.795 -19.177
    5    HA3  GLY   1           2HA      GLY   1 -14.398 -12.859 -18.124
    6    H    SER   2           H        SER   2 -15.484 -11.490 -16.607
    7    HA   SER   2           HA       SER   2 -16.315  -8.790 -17.315
    8    HB2  SER   2           1HB      SER   2 -16.692  -8.576 -14.863
    9    HB3  SER   2           2HB      SER   2 -17.537  -9.935 -15.619
   10    HG   SER   2           HG       SER   2 -16.511 -10.533 -13.648
   11    H    SER   3           H        SER   3 -15.496  -6.853 -16.327
   12    HA   SER   3           HA       SER   3 -12.679  -6.524 -16.712
   13    HB2  SER   3           1HB      SER   3 -14.718  -4.603 -15.528
   14    HB3  SER   3           2HB      SER   3 -13.103  -4.178 -16.126
   15    HG   SER   3           HG       SER   3 -14.737  -3.812 -17.704
   16    H    GLY   4           H        GLY   4 -11.071  -5.755 -15.293
   17    HA2  GLY   4           1HA      GLY   4 -10.993  -6.916 -12.649
   18    HA3  GLY   4           2HA      GLY   4  -9.768  -5.895 -13.401
   19    H    SER   5           H        SER   5 -12.569  -4.094 -13.533
   20    HA   SER   5           HA       SER   5 -11.703  -2.150 -11.660
   21    HB2  SER   5           1HB      SER   5 -13.924  -1.094 -12.165
   22    HB3  SER   5           2HB      SER   5 -12.950  -1.508 -13.586
   23    HG   SER   5           HG       SER   5 -15.188  -2.133 -13.760
   24    H    SER   6           H        SER   6 -13.579  -5.001 -11.034
   25    HA   SER   6           HA       SER   6 -14.910  -4.200  -8.627
   26    HB2  SER   6           1HB      SER   6 -13.775  -6.915  -9.401
   27    HB3  SER   6           2HB      SER   6 -14.956  -6.602  -8.113
   28    HG   SER   6           HG       SER   6 -15.961  -7.271 -10.071
   29    H    GLY   7           H        GLY   7 -11.502  -4.857  -9.241
   30    HA2  GLY   7           1HA      GLY   7 -10.429  -3.535  -7.173
   31    HA3  GLY   7           2HA      GLY   7 -10.781  -5.066  -6.377
   32    H    ILE   8           H        ILE   8  -8.264  -3.574  -7.209
   33    HA   ILE   8           HA       ILE   8  -6.721  -5.948  -8.068
   34    HB   ILE   8           HB       ILE   8  -5.244  -4.571  -9.469
   35   HG12  ILE   8          1HG1      ILE   8  -7.422  -2.430  -9.387
   36   HG13  ILE   8          2HG1      ILE   8  -5.874  -2.324  -8.543
   37   HG21  ILE   8          1HG2      ILE   8  -8.090  -4.598 -10.530
   38   HG22  ILE   8          2HG2      ILE   8  -6.585  -4.710 -11.464
   39   HG23  ILE   8          3HG2      ILE   8  -7.055  -6.034 -10.395
   40   HD11  ILE   8          3HD1      ILE   8  -5.702  -1.069 -10.578
   41   HD12  ILE   8          1HD1      ILE   8  -4.684  -2.518 -10.728
   42   HD13  ILE   8          2HD1      ILE   8  -6.263  -2.439 -11.551
   43    H    LEU   9           H        LEU   9  -4.502  -5.909  -7.386
   44    HA   LEU   9           HA       LEU   9  -4.045  -4.567  -4.841
   45    HB2  LEU   9           1HB      LEU   9  -2.376  -6.375  -6.626
   46    HB3  LEU   9           2HB      LEU   9  -1.679  -5.572  -5.241
   47    HG   LEU   9           HG       LEU   9  -2.224  -7.861  -4.732
   48   HD11  LEU   9          1HD1      LEU   9  -2.339  -6.141  -2.929
   49   HD12  LEU   9          2HD1      LEU   9  -3.369  -7.549  -2.632
   50   HD13  LEU   9          3HD1      LEU   9  -4.098  -6.038  -3.191
   51   HD21  LEU   9          3HD2      LEU   9  -5.172  -7.191  -5.057
   52   HD22  LEU   9          1HD2      LEU   9  -4.463  -8.729  -4.540
   53   HD23  LEU   9          2HD2      LEU   9  -4.211  -8.164  -6.200
   54    H    LEU  10           H        LEU  10  -2.949  -2.782  -4.396
   55    HA   LEU  10           HA       LEU  10  -1.692  -1.193  -6.597
   56    HB2  LEU  10           1HB      LEU  10  -2.854  -0.265  -3.947
   57    HB3  LEU  10           2HB      LEU  10  -2.276   0.755  -5.265
   58    HG   LEU  10           HG       LEU  10  -4.729  -1.061  -5.396
   59   HD11  LEU  10          1HD1      LEU  10  -5.007   0.816  -3.850
   60   HD12  LEU  10          2HD1      LEU  10  -6.003   1.026  -5.297
   61   HD13  LEU  10          3HD1      LEU  10  -4.497   1.959  -5.114
   62   HD21  LEU  10          3HD2      LEU  10  -3.697   1.051  -7.341
   63   HD22  LEU  10          1HD2      LEU  10  -5.251   0.193  -7.462
   64   HD23  LEU  10          2HD2      LEU  10  -3.737  -0.706  -7.632
   65    H    LYS  11           H        LYS  11   0.447  -0.720  -6.422
   66    HA   LYS  11           HA       LYS  11   1.963  -1.859  -4.140
   67    HB2  LYS  11           1HB      LYS  11   2.670  -1.063  -6.978
   68    HB3  LYS  11           2HB      LYS  11   3.932  -1.345  -5.791
   69    HG2  LYS  11           1HG      LYS  11   1.814  -3.442  -6.382
   70    HG3  LYS  11           2HG      LYS  11   3.303  -3.293  -7.324
   71    HD2  LYS  11           1HD      LYS  11   4.682  -3.652  -5.318
   72    HD3  LYS  11           2HD      LYS  11   3.241  -3.723  -4.311
   73    HE2  LYS  11           1HE      LYS  11   2.515  -5.646  -6.003
   74    HE3  LYS  11           2HE      LYS  11   4.245  -5.698  -6.367
   75    HZ1  LYS  11           3HZ      LYS  11   2.910  -6.201  -3.769
   76    HZ2  LYS  11           1HZ      LYS  11   4.514  -5.927  -3.833
   77    HZ3  LYS  11           2HZ      LYS  11   3.864  -7.231  -4.605
   78    H    CYS  12           H        CYS  12   3.423  -0.861  -2.924
   79    HA   CYS  12           HA       CYS  12   3.382   1.948  -2.435
   80    HB2  CYS  12           1HB      CYS  12   3.869   0.218  -0.791
   81    HB3  CYS  12           2HB      CYS  12   5.365  -0.206  -1.658
   82    HA   PRO  13           HA       PRO  13   6.164   3.167  -5.777
   83    HB2  PRO  13           1HB      PRO  13   6.623   5.632  -4.114
   84    HB3  PRO  13           2HB      PRO  13   6.145   5.502  -5.834
   85    HG2  PRO  13           1HG      PRO  13   4.328   6.163  -3.932
   86    HG3  PRO  13           2HG      PRO  13   3.887   5.014  -5.242
   87    HD2  PRO  13           1HD      PRO  13   4.760   4.385  -2.408
   88    HD3  PRO  13           2HD      PRO  13   3.378   3.741  -3.352
   89    H    THR  14           H        THR  14   7.222   3.109  -2.419
   90    HA   THR  14           HA       THR  14   9.902   4.002  -2.818
   91    HB   THR  14           HB       THR  14   8.774   2.338  -0.546
   92    HG1  THR  14           1HG      THR  14   8.514   4.364   0.406
   93   HG21  THR  14          3HG2      THR  14  10.566   3.450   0.800
   94   HG22  THR  14          1HG2      THR  14  11.247   4.122  -0.698
   95   HG23  THR  14          2HG2      THR  14  11.226   2.364  -0.426
   96    H    ASP  15           H        ASP  15  11.766   3.029  -3.363
   97    HA   ASP  15           HA       ASP  15  11.788   0.421  -4.533
   98    HB2  ASP  15           1HB      ASP  15  13.258   2.238  -5.263
   99    HB3  ASP  15           2HB      ASP  15  14.069   2.245  -3.694
  100    H    GLY  16           H        GLY  16  12.320  -1.553  -3.774
  101    HA2  GLY  16           1HA      GLY  16  12.993  -3.248  -2.370
  102    HA3  GLY  16           2HA      GLY  16  13.792  -2.064  -1.335
  103    H    CYS  17           H        CYS  17  10.632  -1.006  -1.518
  104    HA   CYS  17           HA       CYS  17   9.888  -2.102   1.073
  105    HB2  CYS  17           1HB      CYS  17   9.554   0.252   0.436
  106    HB3  CYS  17           2HB      CYS  17   8.440  -0.255  -0.848
  107    H    ASP  18           H        ASP  18   8.692  -2.242  -2.092
  108    HA   ASP  18           HA       ASP  18   7.198  -3.414  -3.301
  109    HB2  ASP  18           1HB      ASP  18   7.611  -5.724  -3.564
  110    HB3  ASP  18           2HB      ASP  18   9.116  -4.877  -3.286
  111    H    TYR  19           H        TYR  19   6.201  -2.844  -0.362
  112    HA   TYR  19           HA       TYR  19   4.119  -4.603   0.275
  113    HB2  TYR  19           1HB      TYR  19   4.840  -2.836   1.754
  114    HB3  TYR  19           2HB      TYR  19   4.422  -1.600   0.585
  115    HD1  TYR  19           2HD      TYR  19   3.049  -4.054   3.006
  116    HD2  TYR  19           1HD      TYR  19   2.118  -0.766   0.353
  117    HE1  TYR  19           2HE      TYR  19   0.817  -3.788   4.087
  118    HE2  TYR  19           1HE      TYR  19  -0.074  -0.502   1.441
  119    HH   TYR  19           HH       TYR  19  -1.472  -1.208   3.131
  120    H    SER  20           H        SER  20   2.003  -4.854  -0.283
  121    HA   SER  20           HA       SER  20   0.697  -2.892  -1.987
  122    HB2  SER  20           1HB      SER  20  -0.335  -4.790  -3.425
  123    HB3  SER  20           2HB      SER  20   1.257  -4.183  -3.816
  124    HG   SER  20           HG       SER  20   0.671  -6.565  -2.347
  125    H    THR  21           H        THR  21  -1.515  -2.940  -2.083
  126    HA   THR  21           HA       THR  21  -3.081  -4.724  -0.340
  127    HB   THR  21           HB       THR  21  -2.354  -3.093   1.258
  128    HG1  THR  21           1HG      THR  21  -4.271  -2.552   1.983
  129   HG21  THR  21          3HG2      THR  21  -3.442  -0.910  -0.567
  130   HG22  THR  21          1HG2      THR  21  -1.723  -1.204  -0.231
  131   HG23  THR  21          2HG2      THR  21  -2.799  -0.704   1.077
  132    HA   PRO  22           HA       PRO  22  -5.899  -3.797  -3.650
  133    HB2  PRO  22           1HB      PRO  22  -8.288  -4.742  -2.749
  134    HB3  PRO  22           2HB      PRO  22  -6.895  -5.810  -3.102
  135    HG2  PRO  22           1HG      PRO  22  -7.718  -4.664  -0.407
  136    HG3  PRO  22           2HG      PRO  22  -7.384  -6.379  -0.819
  137    HD2  PRO  22           1HD      PRO  22  -5.488  -4.799   0.292
  138    HD3  PRO  22           2HD      PRO  22  -5.060  -5.985  -0.968
  139    H    ASP  23           H        ASP  23  -5.970  -1.956  -0.817
  140    HA   ASP  23           HA       ASP  23  -8.248  -0.250  -1.755
  141    HB2  ASP  23           1HB      ASP  23  -8.415  -1.461   0.519
  142    HB3  ASP  23           2HB      ASP  23  -7.100  -0.447   1.009
  143    H    LYS  24           H        LYS  24  -7.868   1.806  -2.340
  144    HA   LYS  24           HA       LYS  24  -5.191   2.841  -2.495
  145    HB2  LYS  24           1HB      LYS  24  -6.161   4.759  -3.558
  146    HB3  LYS  24           2HB      LYS  24  -6.939   3.297  -4.162
  147    HG2  LYS  24           1HG      LYS  24  -8.894   3.742  -2.645
  148    HG3  LYS  24           2HG      LYS  24  -8.104   5.239  -2.109
  149    HD2  LYS  24           1HD      LYS  24  -8.109   6.083  -4.437
  150    HD3  LYS  24           2HD      LYS  24  -8.911   4.588  -4.976
  151    HE2  LYS  24           1HE      LYS  24 -10.827   5.088  -3.470
  152    HE3  LYS  24           2HE      LYS  24 -10.024   6.576  -2.950
  153    HZ1  LYS  24           3HZ      LYS  24 -10.910   6.004  -5.727
  154    HZ2  LYS  24           1HZ      LYS  24 -10.155   7.373  -5.250
  155    HZ3  LYS  24           2HZ      LYS  24 -11.645   7.025  -4.688
  156    H    TYR  25           H        TYR  25  -7.541   3.182   0.071
  157    HA   TYR  25           HA       TYR  25  -6.132   5.517   1.232
  158    HB2  TYR  25           1HB      TYR  25  -8.502   3.965   2.303
  159    HB3  TYR  25           2HB      TYR  25  -7.832   5.448   2.950
  160    HD1  TYR  25           1HD      TYR  25  -7.905   7.582   1.561
  161    HD2  TYR  25           2HD      TYR  25 -10.076   4.014   0.475
  162    HE1  TYR  25           1HE      TYR  25  -9.397   8.937   0.098
  163    HE2  TYR  25           2HE      TYR  25 -11.585   5.376  -0.967
  164    HH   TYR  25           HH       TYR  25 -11.196   8.922  -1.325
  165    H    LYS  26           H        LYS  26  -6.508   1.989   1.777
  166    HA   LYS  26           HA       LYS  26  -4.802   1.870   4.119
  167    HB2  LYS  26           1HB      LYS  26  -5.197  -0.226   1.950
  168    HB3  LYS  26           2HB      LYS  26  -4.432  -0.495   3.504
  169    HG2  LYS  26           1HG      LYS  26  -6.549   0.118   4.670
  170    HG3  LYS  26           2HG      LYS  26  -7.354   0.290   3.123
  171    HD2  LYS  26           1HD      LYS  26  -6.746  -2.118   2.614
  172    HD3  LYS  26           2HD      LYS  26  -6.094  -2.262   4.244
  173    HE2  LYS  26           1HE      LYS  26  -8.978  -1.513   3.562
  174    HE3  LYS  26           2HE      LYS  26  -8.432  -3.147   3.944
  175    HZ1  LYS  26           3HZ      LYS  26  -8.293  -0.836   5.807
  176    HZ2  LYS  26           1HZ      LYS  26  -7.751  -2.344   6.145
  177    HZ3  LYS  26           2HZ      LYS  26  -9.340  -2.079   5.905
  178    H    LEU  27           H        LEU  27  -4.019   1.863   0.623
  179    HA   LEU  27           HA       LEU  27  -1.187   1.604   0.990
  180    HB2  LEU  27           1HB      LEU  27  -2.343   1.238  -1.162
  181    HB3  LEU  27           2HB      LEU  27  -2.749   2.957  -1.236
  182    HG   LEU  27           HG       LEU  27  -0.359   3.550  -1.403
  183   HD11  LEU  27          1HD1      LEU  27   0.722   1.758  -0.131
  184   HD12  LEU  27          2HD1      LEU  27   1.327   1.750  -1.782
  185   HD13  LEU  27          3HD1      LEU  27   0.131   0.536  -1.289
  186   HD21  LEU  27          3HD2      LEU  27   0.061   2.675  -3.623
  187   HD22  LEU  27          1HD2      LEU  27  -1.674   2.994  -3.455
  188   HD23  LEU  27          2HD2      LEU  27  -1.058   1.327  -3.345
  189    H    GLN  28           H        GLN  28  -3.227   4.590   0.709
  190    HA   GLN  28           HA       GLN  28  -1.124   6.485   1.039
  191    HB2  GLN  28           1HB      GLN  28  -4.098   6.499   1.666
  192    HB3  GLN  28           2HB      GLN  28  -3.074   7.892   2.043
  193    HG2  GLN  28           1HG      GLN  28  -2.356   8.114  -0.202
  194    HG3  GLN  28           2HG      GLN  28  -3.155   6.636  -0.727
  195   HE21  GLN  28          1HE2      GLN  28  -5.461   6.591  -0.916
  196   HE22  GLN  28          2HE2      GLN  28  -6.400   8.091  -0.984
  197    H    ALA  29           H        ALA  29  -3.120   4.911   3.498
  198    HA   ALA  29           HA       ALA  29  -1.839   5.983   5.808
  199    HB1  ALA  29           1HB      ALA  29  -3.163   3.262   5.446
  200    HB2  ALA  29           2HB      ALA  29  -2.848   4.081   6.988
  201    HB3  ALA  29           3HB      ALA  29  -3.996   4.785   5.834
  202    H    HIS  30           H        HIS  30  -0.762   3.322   3.678
  203    HA   HIS  30           HA       HIS  30   1.520   2.632   5.399
  204    HB2  HIS  30           1HB      HIS  30   0.594   0.904   4.025
  205    HB3  HIS  30           2HB      HIS  30   0.746   1.868   2.564
  206    HD1  HIS  30           1HD      HIS  30   2.929  -0.192   4.939
  207    HD2  HIS  30           2HD      HIS  30   3.160   2.142   1.454
  208    HE1  HIS  30           1HE      HIS  30   5.270  -0.545   4.028
  209    H    LEU  31           H        LEU  31   1.053   4.826   2.554
  210    HA   LEU  31           HA       LEU  31   3.794   5.406   2.121
  211    HB2  LEU  31           1HB      LEU  31   1.490   7.379   1.950
  212    HB3  LEU  31           2HB      LEU  31   3.082   7.590   1.246
  213    HG   LEU  31           HG       LEU  31   0.991   5.563   0.393
  214   HD11  LEU  31          1HD1      LEU  31   0.584   7.890  -0.305
  215   HD12  LEU  31          2HD1      LEU  31   0.960   6.838  -1.679
  216   HD13  LEU  31          3HD1      LEU  31   2.198   7.945  -1.046
  217   HD21  LEU  31          3HD2      LEU  31   3.191   4.523   0.104
  218   HD22  LEU  31          1HD2      LEU  31   3.790   5.989  -0.712
  219   HD23  LEU  31          2HD2      LEU  31   2.511   4.994  -1.453
  220    H    LYS  32           H        LYS  32   1.664   6.668   4.649
  221    HA   LYS  32           HA       LYS  32   3.394   8.633   5.779
  222    HB2  LYS  32           1HB      LYS  32   1.296   6.867   7.105
  223    HB3  LYS  32           2HB      LYS  32   2.067   8.266   7.862
  224    HG2  LYS  32           1HG      LYS  32   1.184   9.749   6.089
  225    HG3  LYS  32           2HG      LYS  32   0.377   8.369   5.326
  226    HD2  LYS  32           1HD      LYS  32  -0.957   7.999   7.388
  227    HD3  LYS  32           2HD      LYS  32  -0.161   9.400   8.143
  228    HE2  LYS  32           1HE      LYS  32  -1.021  10.856   6.310
  229    HE3  LYS  32           2HE      LYS  32  -1.837   9.463   5.590
  230    HZ1  LYS  32           3HZ      LYS  32  -3.355  10.763   6.975
  231    HZ2  LYS  32           1HZ      LYS  32  -2.413  10.570   8.291
  232    HZ3  LYS  32           2HZ      LYS  32  -3.171   9.280   7.631
  233    H    VAL  33           H        VAL  33   3.691   5.146   5.936
  234    HA   VAL  33           HA       VAL  33   5.346   5.046   8.299
  235    HB   VAL  33           HB       VAL  33   4.049   3.163   6.869
  236   HG11  VAL  33          1HG1      VAL  33   5.729   3.177   4.979
  237   HG12  VAL  33          2HG1      VAL  33   6.956   2.610   6.129
  238   HG13  VAL  33          3HG1      VAL  33   5.532   1.616   5.784
  239   HG21  VAL  33          3HG2      VAL  33   6.481   2.639   8.588
  240   HG22  VAL  33          1HG2      VAL  33   4.815   2.929   9.152
  241   HG23  VAL  33          2HG2      VAL  33   5.177   1.487   8.192
  242    H    HIS  34           H        HIS  34   5.989   5.942   5.003
  243    HA   HIS  34           HA       HIS  34   8.921   5.733   5.304
  244    HB2  HIS  34           1HB      HIS  34   7.172   6.612   2.979
  245    HB3  HIS  34           2HB      HIS  34   8.925   6.448   2.938
  246    HD1  HIS  34           1HD      HIS  34   9.735   3.775   3.750
  247    HD2  HIS  34           2HD      HIS  34   5.930   4.476   2.100
  248    HE1  HIS  34           1HE      HIS  34   8.917   1.519   2.935
  249    H    THR  35           H        THR  35   6.453   8.211   5.643
  250    HA   THR  35           HA       THR  35   8.472  10.390   5.608
  251    HB   THR  35           HB       THR  35   6.561  11.896   5.955
  252    HG1  THR  35           1HG      THR  35   5.039  10.721   6.968
  253   HG21  THR  35          3HG2      THR  35   6.088   9.943   3.660
  254   HG22  THR  35          1HG2      THR  35   7.264  11.279   3.650
  255   HG23  THR  35          2HG2      THR  35   5.529  11.624   3.770
  256    H    ALA  36           H        ALA  36   6.591   8.518   7.958
  257    HA   ALA  36           HA       ALA  36   7.304  10.131  10.250
  258    HB1  ALA  36           1HB      ALA  36   6.424   8.210  11.520
  259    HB2  ALA  36           2HB      ALA  36   5.330   8.655  10.196
  260    HB3  ALA  36           3HB      ALA  36   6.387   7.232  10.037
  261    H    LEU  37           H        LEU  37   8.683   9.465  12.013
  262    HA   LEU  37           HA       LEU  37  10.917   7.632  11.497
  263    HB2  LEU  37           1HB      LEU  37  11.214  10.586  12.196
  264    HB3  LEU  37           2HB      LEU  37  12.502   9.406  12.386
  265    HG   LEU  37           HG       LEU  37  11.223  10.132   9.713
  266   HD11  LEU  37          1HD1      LEU  37  13.899  10.943  10.921
  267   HD12  LEU  37          2HD1      LEU  37  12.490  12.004  10.690
  268   HD13  LEU  37          3HD1      LEU  37  13.323  11.328   9.283
  269   HD21  LEU  37          3HD2      LEU  37  13.198   8.970   8.752
  270   HD22  LEU  37          1HD2      LEU  37  12.198   7.857   9.684
  271   HD23  LEU  37          2HD2      LEU  37  13.708   8.481  10.382
  272    H    ASP  38           H        ASP  38  11.759   6.809  13.314
  273    HA   ASP  38           HA       ASP  38  10.836   7.594  16.023
  274    HB2  ASP  38           1HB      ASP  38   9.192   5.941  15.235
  275    HB3  ASP  38           2HB      ASP  38  10.482   4.807  14.852
  Start of MODEL   20
    1    H1   GLY   1           1H       GLY   1 -22.631   0.664 -21.020
    2    H2   GLY   1           2H       GLY   1 -22.981   1.262 -19.533
    3    H3   GLY   1           3H       GLY   1 -22.974  -0.358 -19.787
    4    HA2  GLY   1           1HA      GLY   1 -20.618   1.410 -19.926
    5    HA3  GLY   1           2HA      GLY   1 -20.988   0.295 -18.600
    6    H    SER   2           H        SER   2 -18.744  -0.393 -19.219
    7    HA   SER   2           HA       SER   2 -18.772  -2.582 -21.257
    8    HB2  SER   2           1HB      SER   2 -16.556  -0.534 -20.853
    9    HB3  SER   2           2HB      SER   2 -16.481  -1.952 -21.914
   10    HG   SER   2           HG       SER   2 -17.052  -0.035 -23.051
   11    H    SER   3           H        SER   3 -17.242  -4.263 -20.905
   12    HA   SER   3           HA       SER   3 -16.786  -4.943 -18.117
   13    HB2  SER   3           1HB      SER   3 -17.370  -6.574 -19.931
   14    HB3  SER   3           2HB      SER   3 -15.736  -6.352 -20.592
   15    HG   SER   3           HG       SER   3 -15.909  -8.153 -19.140
   16    H    GLY   4           H        GLY   4 -14.742  -5.464 -17.151
   17    HA2  GLY   4           1HA      GLY   4 -12.180  -4.801 -18.171
   18    HA3  GLY   4           2HA      GLY   4 -12.782  -3.404 -17.276
   19    H    SER   5           H        SER   5 -10.550  -4.399 -16.328
   20    HA   SER   5           HA       SER   5 -10.784  -6.563 -14.444
   21    HB2  SER   5           1HB      SER   5  -8.675  -4.384 -14.643
   22    HB3  SER   5           2HB      SER   5  -8.541  -5.901 -13.735
   23    HG   SER   5           HG       SER   5  -7.554  -6.027 -15.817
   24    H    SER   6           H        SER   6 -10.971  -6.596 -12.251
   25    HA   SER   6           HA       SER   6 -11.420  -4.090 -10.702
   26    HB2  SER   6           1HB      SER   6 -13.313  -6.474 -10.787
   27    HB3  SER   6           2HB      SER   6 -13.403  -5.141  -9.623
   28    HG   SER   6           HG       SER   6 -14.813  -4.845 -11.422
   29    H    GLY   7           H        GLY   7 -11.125  -4.302  -8.436
   30    HA2  GLY   7           1HA      GLY   7 -10.258  -5.128  -6.475
   31    HA3  GLY   7           2HA      GLY   7 -10.487  -6.763  -7.103
   32    H    ILE   8           H        ILE   8  -8.440  -4.629  -8.957
   33    HA   ILE   8           HA       ILE   8  -6.192  -6.413  -8.694
   34    HB   ILE   8           HB       ILE   8  -6.396  -3.737 -10.116
   35   HG12  ILE   8          1HG1      ILE   8  -8.090  -5.169 -11.062
   36   HG13  ILE   8          2HG1      ILE   8  -6.758  -5.032 -12.187
   37   HG21  ILE   8          1HG2      ILE   8  -4.366  -5.997 -10.386
   38   HG22  ILE   8          2HG2      ILE   8  -4.521  -4.638 -11.518
   39   HG23  ILE   8          3HG2      ILE   8  -4.067  -4.331  -9.845
   40   HD11  ILE   8          3HD1      ILE   8  -7.614  -7.324 -12.134
   41   HD12  ILE   8          1HD1      ILE   8  -5.954  -7.304 -11.522
   42   HD13  ILE   8          2HD1      ILE   8  -7.325  -7.441 -10.395
   43    H    LEU   9           H        LEU   9  -4.326  -6.159  -7.719
   44    HA   LEU   9           HA       LEU   9  -4.172  -4.627  -5.307
   45    HB2  LEU   9           1HB      LEU   9  -2.163  -6.309  -6.852
   46    HB3  LEU   9           2HB      LEU   9  -1.703  -5.437  -5.409
   47    HG   LEU   9           HG       LEU   9  -2.102  -7.767  -4.936
   48   HD11  LEU   9          1HD1      LEU   9  -2.523  -6.064  -3.186
   49   HD12  LEU   9          2HD1      LEU   9  -3.491  -7.532  -2.975
   50   HD13  LEU   9          3HD1      LEU   9  -4.253  -6.071  -3.630
   51   HD21  LEU   9          3HD2      LEU   9  -5.044  -7.348  -5.583
   52   HD22  LEU   9          1HD2      LEU   9  -4.269  -8.817  -4.967
   53   HD23  LEU   9          2HD2      LEU   9  -3.887  -8.247  -6.600
   54    H    LEU  10           H        LEU  10  -3.422  -2.727  -4.836
   55    HA   LEU  10           HA       LEU  10  -1.927  -1.036  -6.763
   56    HB2  LEU  10           1HB      LEU  10  -2.922  -0.345  -3.979
   57    HB3  LEU  10           2HB      LEU  10  -2.384   0.762  -5.238
   58    HG   LEU  10           HG       LEU  10  -4.949  -0.894  -5.329
   59   HD11  LEU  10          1HD1      LEU  10  -4.502   2.077  -4.835
   60   HD12  LEU  10          2HD1      LEU  10  -4.967   0.868  -3.615
   61   HD13  LEU  10          3HD1      LEU  10  -6.071   1.243  -4.948
   62   HD21  LEU  10          3HD2      LEU  10  -5.534   0.562  -7.242
   63   HD22  LEU  10          1HD2      LEU  10  -4.099  -0.409  -7.598
   64   HD23  LEU  10          2HD2      LEU  10  -3.924   1.312  -7.174
   65    H    LYS  11           H        LYS  11   0.161  -0.185  -6.117
   66    HA   LYS  11           HA       LYS  11   1.603  -1.835  -4.060
   67    HB2  LYS  11           1HB      LYS  11   2.539  -1.086  -6.857
   68    HB3  LYS  11           2HB      LYS  11   3.521  -1.881  -5.620
   69    HG2  LYS  11           1HG      LYS  11   1.922  -3.795  -5.588
   70    HG3  LYS  11           2HG      LYS  11   0.987  -3.026  -6.883
   71    HD2  LYS  11           1HD      LYS  11   2.980  -3.092  -8.362
   72    HD3  LYS  11           2HD      LYS  11   3.908  -3.888  -7.071
   73    HE2  LYS  11           1HE      LYS  11   2.284  -5.770  -7.071
   74    HE3  LYS  11           2HE      LYS  11   1.359  -4.978  -8.353
   75    HZ1  LYS  11           3HZ      LYS  11   3.318  -5.173  -9.795
   76    HZ2  LYS  11           1HZ      LYS  11   2.874  -6.648  -9.257
   77    HZ3  LYS  11           2HZ      LYS  11   4.173  -5.907  -8.609
   78    H    CYS  12           H        CYS  12   3.276  -0.968  -2.963
   79    HA   CYS  12           HA       CYS  12   3.307   1.856  -2.494
   80    HB2  CYS  12           1HB      CYS  12   3.738   0.031  -0.870
   81    HB3  CYS  12           2HB      CYS  12   5.283  -0.295  -1.679
   82    HA   PRO  13           HA       PRO  13   6.176   2.803  -5.838
   83    HB2  PRO  13           1HB      PRO  13   6.441   5.485  -5.534
   84    HB3  PRO  13           2HB      PRO  13   4.879   4.736  -5.984
   85    HG2  PRO  13           1HG      PRO  13   5.809   5.562  -3.209
   86    HG3  PRO  13           2HG      PRO  13   4.265   5.979  -4.025
   87    HD2  PRO  13           1HD      PRO  13   4.486   3.874  -2.288
   88    HD3  PRO  13           2HD      PRO  13   3.405   3.813  -3.714
   89    H    THR  14           H        THR  14   7.090   2.856  -2.544
   90    HA   THR  14           HA       THR  14   9.705   4.121  -2.826
   91    HB   THR  14           HB       THR  14   8.551   2.429  -0.583
   92    HG1  THR  14           1HG      THR  14   7.470   4.356  -0.856
   93   HG21  THR  14          3HG2      THR  14  10.973   2.414  -0.348
   94   HG22  THR  14          1HG2      THR  14  10.306   3.573   0.804
   95   HG23  THR  14          2HG2      THR  14  11.061   4.161  -0.692
   96    H    ASP  15           H        ASP  15  11.598   3.241  -3.445
   97    HA   ASP  15           HA       ASP  15  11.626   0.753  -4.784
   98    HB2  ASP  15           1HB      ASP  15  13.009   2.735  -5.322
   99    HB3  ASP  15           2HB      ASP  15  13.948   2.483  -3.852
  100    H    GLY  16           H        GLY  16  12.668   1.506  -1.489
  101    HA2  GLY  16           1HA      GLY  16  13.873  -1.116  -0.971
  102    HA3  GLY  16           2HA      GLY  16  13.609   0.189   0.184
  103    H    CYS  17           H        CYS  17  10.688  -0.427  -1.404
  104    HA   CYS  17           HA       CYS  17   9.635  -1.962   0.925
  105    HB2  CYS  17           1HB      CYS  17   9.071   0.477   0.506
  106    HB3  CYS  17           2HB      CYS  17   8.150  -0.076  -0.905
  107    H    ASP  18           H        ASP  18   7.795  -3.269   0.544
  108    HA   ASP  18           HA       ASP  18   7.607  -4.645  -2.112
  109    HB2  ASP  18           1HB      ASP  18   8.054  -5.953   0.600
  110    HB3  ASP  18           2HB      ASP  18   7.555  -6.831  -0.840
  111    H    TYR  19           H        TYR  19   5.891  -2.909   0.016
  112    HA   TYR  19           HA       TYR  19   3.675  -4.608   0.680
  113    HB2  TYR  19           1HB      TYR  19   4.350  -2.759   2.062
  114    HB3  TYR  19           2HB      TYR  19   4.113  -1.620   0.751
  115    HD1  TYR  19           2HD      TYR  19   2.433  -3.722   3.293
  116    HD2  TYR  19           1HD      TYR  19   1.859  -0.835   0.134
  117    HE1  TYR  19           2HE      TYR  19   0.113  -3.302   4.093
  118    HE2  TYR  19           1HE      TYR  19  -0.445  -0.405   0.955
  119    HH   TYR  19           HH       TYR  19  -1.811  -2.105   3.798
  120    H    SER  20           H        SER  20   1.678  -4.849  -0.124
  121    HA   SER  20           HA       SER  20   0.641  -3.113  -2.229
  122    HB2  SER  20           1HB      SER  20  -0.048  -4.947  -3.696
  123    HB3  SER  20           2HB      SER  20   1.714  -4.888  -3.531
  124    HG   SER  20           HG       SER  20   0.965  -7.027  -3.336
  125    H    THR  21           H        THR  21  -1.626  -3.201  -2.500
  126    HA   THR  21           HA       THR  21  -3.324  -4.793  -0.723
  127    HB   THR  21           HB       THR  21  -2.602  -3.145   0.877
  128    HG1  THR  21           1HG      THR  21  -4.534  -2.512   1.512
  129   HG21  THR  21          3HG2      THR  21  -1.922  -1.294  -0.672
  130   HG22  THR  21          1HG2      THR  21  -2.980  -0.755   0.640
  131   HG23  THR  21          2HG2      THR  21  -3.637  -0.970  -0.993
  132    HA   PRO  22           HA       PRO  22  -6.103  -3.545  -4.056
  133    HB2  PRO  22           1HB      PRO  22  -8.510  -4.449  -3.185
  134    HB3  PRO  22           2HB      PRO  22  -7.185  -5.559  -3.652
  135    HG2  PRO  22           1HG      PRO  22  -7.926  -4.620  -0.858
  136    HG3  PRO  22           2HG      PRO  22  -7.660  -6.303  -1.421
  137    HD2  PRO  22           1HD      PRO  22  -5.709  -4.846  -0.193
  138    HD3  PRO  22           2HD      PRO  22  -5.321  -6.002  -1.487
  139    H    ASP  23           H        ASP  23  -6.084  -2.102  -0.942
  140    HA   ASP  23           HA       ASP  23  -8.359  -0.267  -1.537
  141    HB2  ASP  23           1HB      ASP  23  -8.211  -1.743   0.599
  142    HB3  ASP  23           2HB      ASP  23  -6.934  -0.683   1.075
  143    H    LYS  24           H        LYS  24  -7.924   1.745  -2.228
  144    HA   LYS  24           HA       LYS  24  -5.313   2.951  -2.215
  145    HB2  LYS  24           1HB      LYS  24  -6.371   4.892  -3.134
  146    HB3  LYS  24           2HB      LYS  24  -7.065   3.456  -3.881
  147    HG2  LYS  24           1HG      LYS  24  -9.068   3.665  -2.382
  148    HG3  LYS  24           2HG      LYS  24  -8.359   5.132  -1.672
  149    HD2  LYS  24           1HD      LYS  24  -8.345   6.206  -3.910
  150    HD3  LYS  24           2HD      LYS  24  -9.097   4.750  -4.603
  151    HE2  LYS  24           1HE      LYS  24 -11.043   5.046  -3.084
  152    HE3  LYS  24           2HE      LYS  24 -10.289   6.493  -2.400
  153    HZ1  LYS  24           3HZ      LYS  24 -11.899   7.074  -4.120
  154    HZ2  LYS  24           1HZ      LYS  24 -11.111   6.188  -5.240
  155    HZ3  LYS  24           2HZ      LYS  24 -10.409   7.521  -4.607
  156    H    TYR  25           H        TYR  25  -7.807   2.954   0.250
  157    HA   TYR  25           HA       TYR  25  -6.586   5.240   1.666
  158    HB2  TYR  25           1HB      TYR  25  -8.832   3.363   2.495
  159    HB3  TYR  25           2HB      TYR  25  -8.324   4.802   3.358
  160    HD1  TYR  25           1HD      TYR  25  -8.566   7.089   2.264
  161    HD2  TYR  25           2HD      TYR  25 -10.399   3.524   0.668
  162    HE1  TYR  25           1HE      TYR  25 -10.175   8.488   0.967
  163    HE2  TYR  25           2HE      TYR  25 -12.025   4.919  -0.591
  164    HH   TYR  25           HH       TYR  25 -12.757   7.044  -1.058
  165    H    LYS  26           H        LYS  26  -6.369   1.720   1.739
  166    HA   LYS  26           HA       LYS  26  -4.798   1.666   4.239
  167    HB2  LYS  26           1HB      LYS  26  -5.058  -0.431   2.055
  168    HB3  LYS  26           2HB      LYS  26  -4.268  -0.650   3.605
  169    HG2  LYS  26           1HG      LYS  26  -6.411  -0.168   4.787
  170    HG3  LYS  26           2HG      LYS  26  -7.233  -0.050   3.249
  171    HD2  LYS  26           1HD      LYS  26  -6.604  -2.445   2.763
  172    HD3  LYS  26           2HD      LYS  26  -5.765  -2.499   4.318
  173    HE2  LYS  26           1HE      LYS  26  -7.810  -3.485   4.825
  174    HE3  LYS  26           2HE      LYS  26  -7.998  -1.829   5.405
  175    HZ1  LYS  26           3HZ      LYS  26  -9.949  -2.482   4.172
  176    HZ2  LYS  26           1HZ      LYS  26  -9.086  -2.948   2.874
  177    HZ3  LYS  26           2HZ      LYS  26  -9.198  -1.362   3.248
  178    H    LEU  27           H        LEU  27  -4.093   1.673   0.721
  179    HA   LEU  27           HA       LEU  27  -1.273   1.659   1.004
  180    HB2  LEU  27           1HB      LEU  27  -2.455   1.205  -1.114
  181    HB3  LEU  27           2HB      LEU  27  -2.966   2.892  -1.186
  182    HG   LEU  27           HG       LEU  27  -0.641   3.637  -1.454
  183   HD11  LEU  27          1HD1      LEU  27   1.179   1.989  -1.830
  184   HD12  LEU  27          2HD1      LEU  27   0.098   0.678  -1.317
  185   HD13  LEU  27          3HD1      LEU  27   0.601   1.948  -0.170
  186   HD21  LEU  27          3HD2      LEU  27  -1.961   2.932  -3.451
  187   HD22  LEU  27          1HD2      LEU  27  -1.226   1.315  -3.315
  188   HD23  LEU  27          2HD2      LEU  27  -0.212   2.730  -3.662
  189    H    GLN  28           H        GLN  28  -3.439   4.576   0.644
  190    HA   GLN  28           HA       GLN  28  -1.313   6.435   0.768
  191    HB2  GLN  28           1HB      GLN  28  -2.914   8.084   0.938
  192    HB3  GLN  28           2HB      GLN  28  -3.780   6.729   0.210
  193    HG2  GLN  28           1HG      GLN  28  -4.769   6.208   2.426
  194    HG3  GLN  28           2HG      GLN  28  -4.045   7.692   3.056
  195   HE21  GLN  28          1HE2      GLN  28  -5.928   6.723   0.088
  196   HE22  GLN  28          2HE2      GLN  28  -7.031   8.093   0.206
  197    H    ALA  29           H        ALA  29  -3.019   4.836   3.406
  198    HA   ALA  29           HA       ALA  29  -1.744   6.371   5.446
  199    HB1  ALA  29           1HB      ALA  29  -3.144   3.664   5.558
  200    HB2  ALA  29           2HB      ALA  29  -2.744   4.680   6.963
  201    HB3  ALA  29           3HB      ALA  29  -3.910   5.257   5.751
  202    H    HIS  30           H        HIS  30  -0.832   3.440   3.661
  203    HA   HIS  30           HA       HIS  30   1.515   2.807   5.322
  204    HB2  HIS  30           1HB      HIS  30   0.374   1.036   4.134
  205    HB3  HIS  30           2HB      HIS  30   0.547   1.870   2.593
  206    HD1  HIS  30           1HD      HIS  30   2.663  -0.145   5.077
  207    HD2  HIS  30           2HD      HIS  30   2.926   1.878   1.404
  208    HE1  HIS  30           1HE      HIS  30   4.948  -0.725   4.130
  209    H    LEU  31           H        LEU  31   0.976   4.808   2.351
  210    HA   LEU  31           HA       LEU  31   3.691   5.217   1.680
  211    HB2  LEU  31           1HB      LEU  31   1.482   7.293   1.696
  212    HB3  LEU  31           2HB      LEU  31   3.002   7.452   0.842
  213    HG   LEU  31           HG       LEU  31   0.782   5.492   0.187
  214   HD11  LEU  31          1HD1      LEU  31   0.397   7.834  -0.485
  215   HD12  LEU  31          2HD1      LEU  31   0.614   6.763  -1.879
  216   HD13  LEU  31          3HD1      LEU  31   1.943   7.828  -1.364
  217   HD21  LEU  31          3HD2      LEU  31   2.136   4.879  -1.783
  218   HD22  LEU  31          1HD2      LEU  31   2.908   4.379  -0.278
  219   HD23  LEU  31          2HD2      LEU  31   3.496   5.826  -1.131
  220    H    LYS  32           H        LYS  32   1.904   6.601   4.376
  221    HA   LYS  32           HA       LYS  32   3.798   8.589   5.208
  222    HB2  LYS  32           1HB      LYS  32   1.704   7.066   6.815
  223    HB3  LYS  32           2HB      LYS  32   2.549   8.519   7.353
  224    HG2  LYS  32           1HG      LYS  32   1.581   9.825   5.509
  225    HG3  LYS  32           2HG      LYS  32   0.742   8.389   4.896
  226    HD2  LYS  32           1HD      LYS  32  -0.483   8.188   7.054
  227    HD3  LYS  32           2HD      LYS  32   0.269   9.683   7.620
  228    HE2  LYS  32           1HE      LYS  32  -1.469   9.424   5.116
  229    HE3  LYS  32           2HE      LYS  32  -2.070   9.927   6.699
  230    HZ1  LYS  32           3HZ      LYS  32  -0.554  11.835   6.607
  231    HZ2  LYS  32           1HZ      LYS  32  -1.575  11.852   5.336
  232    HZ3  LYS  32           2HZ      LYS  32  -0.025  11.396   5.122
  233    H    VAL  33           H        VAL  33   3.891   5.074   5.701
  234    HA   VAL  33           HA       VAL  33   5.452   5.112   8.097
  235    HB   VAL  33           HB       VAL  33   5.877   2.865   7.802
  236   HG11  VAL  33          1HG1      VAL  33   3.794   1.797   7.279
  237   HG12  VAL  33          2HG1      VAL  33   3.563   3.272   8.243
  238   HG13  VAL  33          3HG1      VAL  33   3.214   3.279   6.507
  239   HG21  VAL  33          3HG2      VAL  33   5.460   3.036   4.847
  240   HG22  VAL  33          1HG2      VAL  33   6.937   2.625   5.724
  241   HG23  VAL  33          2HG2      VAL  33   5.562   1.525   5.767
  242    H    HIS  34           H        HIS  34   6.333   5.640   4.788
  243    HA   HIS  34           HA       HIS  34   9.186   5.221   5.152
  244    HB2  HIS  34           1HB      HIS  34   7.557   6.283   2.814
  245    HB3  HIS  34           2HB      HIS  34   9.269   5.853   2.763
  246    HD1  HIS  34           1HD      HIS  34   9.726   3.146   3.582
  247    HD2  HIS  34           2HD      HIS  34   5.854   4.284   2.405
  248    HE1  HIS  34           1HE      HIS  34   8.462   0.988   3.160
  249    H    THR  35           H        THR  35   7.320   7.740   6.205
  250    HA   THR  35           HA       THR  35   9.252   9.913   5.716
  251    HB   THR  35           HB       THR  35   7.934  11.223   7.261
  252    HG1  THR  35           1HG      THR  35   6.204   9.002   7.568
  253   HG21  THR  35          3HG2      THR  35   6.106   9.708   5.349
  254   HG22  THR  35          1HG2      THR  35   7.132  11.100   4.943
  255   HG23  THR  35          2HG2      THR  35   5.794  11.294   6.089
  256    H    ALA  36           H        ALA  36   9.223   7.206   7.722
  257    HA   ALA  36           HA       ALA  36  11.373   8.257   9.475
  258    HB1  ALA  36           1HB      ALA  36   9.196   8.493  10.671
  259    HB2  ALA  36           2HB      ALA  36   8.884   6.761  10.427
  260    HB3  ALA  36           3HB      ALA  36  10.240   7.293  11.446
  261    H    LEU  37           H        LEU  37  12.028   6.199  10.917
  262    HA   LEU  37           HA       LEU  37  13.112   4.253  11.087
  263    HB2  LEU  37           1HB      LEU  37  11.071   3.132   9.155
  264    HB3  LEU  37           2HB      LEU  37  12.023   2.235  10.325
  265    HG   LEU  37           HG       LEU  37   9.851   4.266  11.005
  266   HD11  LEU  37          1HD1      LEU  37   9.909   1.232  11.233
  267   HD12  LEU  37          2HD1      LEU  37   8.993   2.174  10.034
  268   HD13  LEU  37          3HD1      LEU  37   8.589   2.304  11.754
  269   HD21  LEU  37          3HD2      LEU  37  11.491   2.439  12.817
  270   HD22  LEU  37          1HD2      LEU  37  10.082   3.401  13.319
  271   HD23  LEU  37          2HD2      LEU  37  11.554   4.217  12.784
  272    H    ASP  38           H        ASP  38  13.725   5.979   8.522
  273    HA   ASP  38           HA       ASP  38  15.964   4.269   7.643
  274    HB2  ASP  38           1HB      ASP  38  14.151   3.752   6.048
  275    HB3  ASP  38           2HB      ASP  38  13.946   5.465   5.701