*HEADER    TRANSCRIPTION                           26-JAN-15   2RV3              
*TITLE     SOLUTION STRUCTURES OF THE DNA-BINDING DOMAIN (ZF15) 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 935-963;                                      
*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: P060718-09                                 
*KEYWDS    ZFAT, ZINC FINGER, TRANSCRIPTION                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    N.TOCHIO, T.UMEHARA, T.KIGAWA, S.YOKOYAMA                             
*REVDAT   1   08-APR-15 2RV3    0                                                


#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 250., rk3 = 250.,  &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=12,17,15,16, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,19,13,14, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=23,28,26,27, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=21,30,24,25, &end
#
#  chirality for residue 4 atoms:  N C HA2 HA3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 5 atoms:  CA OG HB2 HB3
 &rst iat=41,46,44,45, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=39,48,42,43, &end
#
#  chirality for residue 6 atoms:  CA OG HB2 HB3
 &rst iat=52,57,55,56, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=50,59,53,54, &end
#
#  chirality for residue 7 atoms:  N C HA2 HA3
 &rst iat=61,66,64,65, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=70,75,73,74, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=72,78,76,77, &end
#
#  chirality for residue 8 atoms:  CD NZ HE2 HE3
 &rst iat=78,84,82,83, &end
#
#  chirality for residue 8 atoms:  CG CE HD2 HD3
 &rst iat=75,81,79,80, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=68,88,71,72, &end
#
#  chirality for residue 9 atoms:  CA CG2 OG1 HB
 &rst iat=92,96,100,95, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=90,102,93,94, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=106,111,109,110, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=104,119,107,108, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=123,128,126,127, &end
#
#  chirality for residue 11 atoms:  CB CD1 CD2 HG
 &rst iat=125,130,134,129, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=121,138,124,125, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=152,157,155,156, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=150,160,153,154, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=164,169,167,168, &end
#
#  chirality for residue 14 atoms:  CB SD HG2 HG3
 &rst iat=166,172,170,171, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=162,177,165,166, &end
#
#  chirality for residue 16 atoms:  N C HA2 HA3
 &rst iat=189,194,192,193, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=198,203,201,202, &end
#
#  chirality for residue 17 atoms:  CB CD HG2 HG3
 &rst iat=200,206,204,205, &end
#
#  chirality for residue 17 atoms:  CD NZ HE2 HE3
 &rst iat=206,212,210,211, &end
#
#  chirality for residue 17 atoms:  CG CE HD2 HD3
 &rst iat=203,209,207,208, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=196,216,199,200, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=220,225,223,224, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=222,228,226,227, &end
#
#  chirality for residue 18 atoms:  CD NZ HE2 HE3
 &rst iat=228,234,232,233, &end
#
#  chirality for residue 18 atoms:  CG CE HD2 HD3
 &rst iat=225,231,229,230, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=218,238,221,222, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=242,247,245,246, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=240,258,243,244, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=262,267,265,266, &end
#
#  chirality for residue 20 atoms:  CB CD HG2 HG3
 &rst iat=264,270,268,269, &end
#
#  chirality for residue 20 atoms:  CD NZ HE2 HE3
 &rst iat=270,276,274,275, &end
#
#  chirality for residue 20 atoms:  CG CE HD2 HD3
 &rst iat=267,273,271,272, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=260,280,263,264, &end
#
#  chirality for residue 21 atoms:  CA OG HB2 HB3
 &rst iat=284,289,287,288, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=282,291,285,286, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=295,300,298,299, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=297,303,301,302, &end
#
#  chirality for residue 22 atoms:  CD NZ HE2 HE3
 &rst iat=303,309,307,308, &end
#
#  chirality for residue 22 atoms:  CG CE HD2 HD3
 &rst iat=300,306,304,305, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=293,313,296,297, &end
#
#  chirality for residue 23 atoms:  N C HA2 HA3
 &rst iat=315,320,318,319, &end
#
#  chirality for residue 24 atoms:  CA CG2 OG1 HB
 &rst iat=324,328,332,327, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=322,334,325,326, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=338,343,341,342, &end
#
#  chirality for residue 25 atoms:  CB CD1 CD2 HG
 &rst iat=340,345,349,344, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=336,353,339,340, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=357,362,360,361, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=359,365,363,364, &end
#
#  chirality for residue 26 atoms:  CD NZ HE2 HE3
 &rst iat=365,371,369,370, &end
#
#  chirality for residue 26 atoms:  CG CE HD2 HD3
 &rst iat=362,368,366,367, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=355,375,358,359, &end
#
#  chirality for residue 27 atoms:  CA OG HB2 HB3
 &rst iat=379,384,382,383, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=377,386,380,381, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=390,395,393,394, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=388,403,391,392, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=407,412,410,411, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=409,415,413,414, &end
#
#  chirality for residue 29 atoms:  CD NZ HE2 HE3
 &rst iat=415,421,419,420, &end
#
#  chirality for residue 29 atoms:  CG CE HD2 HD3
 &rst iat=412,418,416,417, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=405,425,408,409, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=429,434,432,433, &end
#
#  chirality for residue 30 atoms:  CB CD1 CD2 HG
 &rst iat=431,436,440,435, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=427,444,430,431, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=448,453,451,452, &end
#
#  chirality for residue 31 atoms:  CB CD1 CD2 HG
 &rst iat=450,455,459,454, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=446,463,449,450, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=467,472,470,471, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=465,480,468,469, &end
#
#  chirality for residue 33 atoms:  CA CG2 OG1 HB
 &rst iat=484,488,492,487, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=482,494,485,486, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=496,504,499,500, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=508,513,511,512, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=506,516,509,510, &end
#
#  chirality for residue 36 atoms:  N C HA2 HA3
 &rst iat=518,523,521,522, &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=92,90,88,70, &end
#
#  trans-omega constraint for residue 10
 &rst iat=106,104,102,92, &end
#
#  trans-omega constraint for residue 11
 &rst iat=123,121,119,106, &end
#
#  trans-omega constraint for residue 12
 &rst iat=142,140,138,123, &end
#
#  trans-omega constraint for residue 13
 &rst iat=152,150,148,142, &end
#
#  trans-omega constraint for residue 14
 &rst iat=164,162,160,152, &end
#
#  trans-omega constraint for residue 15
 &rst iat=181,179,177,164, &end
#
#  trans-omega constraint for residue 16
 &rst iat=191,189,187,181, &end
#
#  trans-omega constraint for residue 17
 &rst iat=198,196,194,191, &end
#
#  trans-omega constraint for residue 18
 &rst iat=220,218,216,198, &end
#
#  trans-omega constraint for residue 19
 &rst iat=242,240,238,220, &end
#
#  trans-omega constraint for residue 20
 &rst iat=262,260,258,242, &end
#
#  trans-omega constraint for residue 21
 &rst iat=284,282,280,262, &end
#
#  trans-omega constraint for residue 22
 &rst iat=295,293,291,284, &end
#
#  trans-omega constraint for residue 23
 &rst iat=317,315,313,295, &end
#
#  trans-omega constraint for residue 24
 &rst iat=324,322,320,317, &end
#
#  trans-omega constraint for residue 25
 &rst iat=338,336,334,324, &end
#
#  trans-omega constraint for residue 26
 &rst iat=357,355,353,338, &end
#
#  trans-omega constraint for residue 27
 &rst iat=379,377,375,357, &end
#
#  trans-omega constraint for residue 28
 &rst iat=390,388,386,379, &end
#
#  trans-omega constraint for residue 29
 &rst iat=407,405,403,390, &end
#
#  trans-omega constraint for residue 30
 &rst iat=429,427,425,407, &end
#
#  trans-omega constraint for residue 31
 &rst iat=448,446,444,429, &end
#
#  trans-omega constraint for residue 32
 &rst iat=467,465,463,448, &end
#
#  trans-omega constraint for residue 33
 &rst iat=484,482,480,467, &end
#
#  trans-omega constraint for residue 34
 &rst iat=498,496,494,484, &end
#
#  trans-omega constraint for residue 35
 &rst iat=508,506,504,498, &end
#
#  trans-omega constraint for residue 36
 &rst iat=520,518,516,508, &end
#
# 8 LYS HA 8 LYS HG2 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  76, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, 
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 &end
#
# 8 LYS HA 8 LYS HG3 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  77, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 8 LYS HA 8 LYS QG 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=  76,  77,
 &end
#
# 8 LYS HG2 8 LYS QE 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2=  82,  83,
 &end
#
# 8 LYS HG3 8 LYS QE 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2=  82,  83,
 &end
#
# 8 LYS QB 8 LYS QE 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=  73,  74,
 igr2=  82,  83,
 &end
#
# 8 LYS QG 8 LYS QE 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1=  76,  77,
 igr2=  82,  83,
 &end
#
# 9 THR HA 10 HIS HD2 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 118, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 9 THR HA 10 HIS HN 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 105, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 9 THR HA 10 HIS QB 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 109, 110,
 &end
#
# 9 THR HA 20 LYS HA 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 263, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 9 THR HA 9 THR QG2 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=  97,  98,  99,
 &end
#
# 9 THR HB 10 HIS HN 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 105, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 9 THR HB 11 LEU HB2 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 126, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 9 THR HB 18 LYS HB3 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 224, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 9 THR HB 18 LYS HG3 5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 227, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 9 THR HB 18 LYS QD 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 229, 230,
 &end
#
# 9 THR HB 19 PHE HN 5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 241, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 9 THR QG2 10 HIS HN 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=  97,  98,  99,
 &end
#
# 9 THR QG2 11 LEU HB2 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=  97,  98,  99,
 &end
#
# 9 THR QG2 18 LYS HB2 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=  97,  98,  99,
 &end
#
# 9 THR QG2 18 LYS HB3 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=  97,  98,  99,
 &end
#
# 9 THR QG2 18 LYS HG3 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  97,  98,  99,
 &end
#
# 9 THR QG2 18 LYS QD 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=  97,  98,  99,
 igr2= 229, 230,
 &end
#
# 9 THR QG2 18 LYS QE 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=  97,  98,  99,
 igr2= 232, 233,
 &end
#
# 9 THR QG2 19 PHE HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  97,  98,  99,
 &end
#
# 9 THR QG2 20 LYS HA 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=  97,  98,  99,
 &end
#
# 10 HIS HA 11 LEU HB2 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 126, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 10 HIS HA 11 LEU HB3 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 127, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 10 HIS HA 11 LEU HN 2.77
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 122, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,  &end
#
# 10 HIS HA 25 LEU QD2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 350, 351, 352,
 &end
#
# 10 HIS HD2 20 LYS HA 5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 263, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 10 HIS HD2 21 SER HA 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 285, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 10 HIS HD2 21 SER HN 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 283, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 10 HIS HE1 22 LYS HA 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 296, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 10 HIS HE1 22 LYS HG2 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 301, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 10 HIS HE1 22 LYS HG3 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 302, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 10 HIS HE1 22 LYS QB 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 298, 299,
 &end
#
# 10 HIS HE1 22 LYS QE 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 307, 308,
 &end
#
# 10 HIS HE1 22 LYS QG 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 301, 302,
 &end
#
# 10 HIS HN 10 HIS HD2 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 118, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 10 HIS HN 10 HIS QB 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 109, 110,
 &end
#
# 10 HIS HN 19 PHE HN 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 241, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 10 HIS QB 10 HIS HD2 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 118, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 109, 110,
 &end
#
# 10 HIS QB 11 LEU HN 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 122, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 109, 110,
 &end
#
# 10 HIS QB 19 PHE HB2 3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1= 109, 110,
 &end
#
# 10 HIS QB 19 PHE HB3 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 109, 110,
 &end
#
# 10 HIS QB 19 PHE HN 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 109, 110,
 &end
#
# 10 HIS QB 19 PHE QD 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 109, 110,
 igr2= 249, 257,
 &end
#
# 10 HIS QB 21 SER HN 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 109, 110,
 &end
#
# 10 HIS QB 22 LYS HA 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 109, 110,
 &end
#
# 10 HIS QB 25 LEU HA 5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 109, 110,
 &end
#
# 10 HIS QB 25 LEU HB2 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 109, 110,
 &end
#
# 10 HIS QB 25 LEU HB3 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 109, 110,
 &end
#
# 10 HIS QB 25 LEU HG 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 344, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 109, 110,
 &end
#
# 10 HIS QB 25 LEU HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 109, 110,
 &end
#
# 10 HIS QB 25 LEU QD1 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 109, 110,
 igr2= 346, 347, 348,
 &end
#
# 10 HIS QB 25 LEU QD2 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 109, 110,
 igr2= 350, 351, 352,
 &end
#
# 11 LEU HB2 11 LEU QD1 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 131, 132, 133,
 &end
#
# 11 LEU HB2 11 LEU QD2 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 135, 136, 137,
 &end
#
# 11 LEU HB2 12 CYM  HN 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 141, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 11 LEU HB2 18 LYS HG2 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 226, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 11 LEU HB2 18 LYS HG3 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 227, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 11 LEU HB2 18 LYS QE 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 232, 233,
 &end
#
# 11 LEU HB3 11 LEU QD1 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 131, 132, 133,
 &end
#
# 11 LEU HB3 11 LEU QD2 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 135, 136, 137,
 &end
#
# 11 LEU HB3 12 CYM  HN 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 141, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 11 LEU HG 12 CYM  HB3 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 145, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 11 LEU HG 12 CYM  HN 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 141, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 11 LEU HG 13 ASP HA 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 153, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 11 LEU HG 16 GLY HA2 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 192, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 11 LEU HN 11 LEU HB2 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 126, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 11 LEU HN 11 LEU HB3 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 127, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 11 LEU HN 11 LEU HG 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 129, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 11 LEU HN 11 LEU QD1 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 131, 132, 133,
 &end
#
# 11 LEU HN 11 LEU QD2 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 135, 136, 137,
 &end
#
# 11 LEU HN 12 CYM  HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 141, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 11 LEU HN 25 LEU QD2 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 350, 351, 352,
 &end
#
# 11 LEU QD1 12 CYM  HB3 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 131, 132, 133,
 &end
#
# 11 LEU QD1 12 CYM  HN 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 131, 132, 133,
 &end
#
# 11 LEU QD1 13 ASP HA 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 131, 132, 133,
 &end
#
# 11 LEU QD1 16 GLY HA2 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 131, 132, 133,
 &end
#
# 11 LEU QD1 16 GLY HA3 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 193, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 131, 132, 133,
 &end
#
# 11 LEU QD1 16 GLY HN 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 131, 132, 133,
 &end
#
# 11 LEU QD1 17 LYS HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 197, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 131, 132, 133,
 &end
#
# 11 LEU QD1 18 LYS HB2 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 131, 132, 133,
 &end
#
# 11 LEU QD1 18 LYS HB3 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 131, 132, 133,
 &end
#
# 11 LEU QD1 18 LYS HG2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 131, 132, 133,
 &end
#
# 11 LEU QD1 18 LYS HG3 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 131, 132, 133,
 &end
#
# 11 LEU QD1 18 LYS QD 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 131, 132, 133,
 igr2= 229, 230,
 &end
#
# 11 LEU QD1 18 LYS QE 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 131, 132, 133,
 igr2= 232, 233,
 &end
#
# 11 LEU QD2 13 ASP HA 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 135, 136, 137,
 &end
#
# 11 LEU QD2 13 ASP QB 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 135, 136, 137,
 igr2= 155, 156,
 &end
#
# 11 LEU QD2 16 GLY HA2 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 135, 136, 137,
 &end
#
# 11 LEU QD2 18 LYS HA 5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 221, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 135, 136, 137,
 &end
#
# 11 LEU QD2 18 LYS HG2 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 135, 136, 137,
 &end
#
# 11 LEU QD2 18 LYS QE 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 135, 136, 137,
 igr2= 232, 233,
 &end
#
# 12 CYM  HA 14 MET HN 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 163, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 12 CYM  HA 25 LEU QD1 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 346, 347, 348,
 &end
#
# 12 CYM  HA 25 LEU QD2 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 143,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 350, 351, 352,
 &end
#
# 12 CYM  HB2 15 CYM  HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 180, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 12 CYM  HB2 16 GLY HN 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 190, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 12 CYM  HB2 17 LYS HB2 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 201, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 12 CYM  HB2 17 LYS HB3 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 202, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 12 CYM  HB2 17 LYS HN 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 197, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 12 CYM  HB2 19 PHE QD 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 249, 257,
 &end
#
# 12 CYM  HB2 19 PHE QE 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 251, 255,
 &end
#
# 12 CYM  HB2 25 LEU QD1 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 346, 347, 348,
 &end
#
# 12 CYM  HB2 28 HIS HD2 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 402, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 12 CYM  HB3 14 MET HN 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 163, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 12 CYM  HB3 15 CYM  HN 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 180, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
# 12 CYM  HB3 16 GLY HA2 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 192, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 12 CYM  HB3 16 GLY HN 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 190, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 12 CYM  HB3 17 LYS HB2 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 201, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 12 CYM  HB3 17 LYS HB3 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 202, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 12 CYM  HB3 17 LYS HN 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 197, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 12 CYM  HB3 19 PHE QD 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 249, 257,
 &end
#
# 12 CYM  HB3 19 PHE QE 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 251, 255,
 &end
#
# 12 CYM  HB3 25 LEU QD1 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 346, 347, 348,
 &end
#
# 12 CYM  HB3 28 HIS HD2 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 402, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 12 CYM  HN 12 CYM  HB2 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 146, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 12 CYM  HN 12 CYM  HB3 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 145, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 12 CYM  HN 16 GLY HN 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 190, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 12 CYM  HN 17 LYS HN 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 197, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 12 CYM  HN 19 PHE HN 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 241, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 12 CYM  HN 19 PHE QD 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 249, 257,
 &end
#
# 12 CYM  HN 19 PHE QE 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 251, 255,
 &end
#
# 12 CYM  HN 25 LEU QD1 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 346, 347, 348,
 &end
#
# 13 ASP HA 13 ASP QB 2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2= 155, 156,
 &end
#
# 13 ASP HA 16 GLY HN 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 190, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 13 ASP QB 14 MET HN 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 155, 156,
 &end
#
# 14 MET HA 14 MET HG2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 170, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 14 MET HA 14 MET HG3 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 171, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 14 MET HA 14 MET QG 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 170, 171,
 &end
#
# 14 MET HB2 14 MET QE 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 174, 175, 176,
 &end
#
# 14 MET HB2 15 CYM  HN 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 180, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 14 MET HB2 16 GLY HN 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 190, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 14 MET HB2 32 HIS HD2 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 479, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 14 MET HB3 14 MET QE 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 174, 175, 176,
 &end
#
# 14 MET HB3 15 CYM  HN 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 180, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 14 MET HB3 16 GLY HN 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 MET HB3 32 HIS HD2 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 479, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 14 MET HB3 32 HIS HE1 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 476, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 14 MET HB3 32 HIS QB 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 470, 471,
 &end
#
# 14 MET HG2 15 CYM  HN 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 180, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 14 MET HG3 15 CYM  HN 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 180, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 14 MET HN 14 MET HB2 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 167, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 14 MET HN 14 MET HB3 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 168, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 14 MET HN 14 MET HG2 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 14 MET HN 14 MET HG3 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 171, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 14 MET HN 14 MET QE 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 174, 175, 176,
 &end
#
# 14 MET HN 14 MET QG 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 170, 171,
 &end
#
# 14 MET HN 15 CYM  HN 3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 180, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 14 MET HN 16 GLY HN 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 190, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 14 MET QE 29 LYS HA 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 174, 175, 176,
 &end
#
# 14 MET QE 29 LYS HE2 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 174, 175, 176,
 &end
#
# 14 MET QE 29 LYS HE3 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 174, 175, 176,
 &end
#
# 14 MET QE 29 LYS QE 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 174, 175, 176,
 igr2= 419, 420,
 &end
#
# 14 MET QE 32 HIS HD2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 479, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 174, 175, 176,
 &end
#
# 14 MET QE 32 HIS QB 3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 174, 175, 176,
 igr2= 470, 471,
 &end
#
# 14 MET QE 33 THR QG2 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 174, 175, 176,
 igr2= 489, 490, 491,
 &end
#
# 14 MET QG 32 HIS HD2 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 479, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 170, 171,
 &end
#
# 14 MET QG 32 HIS QB 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 170, 171,
 igr2= 470, 471,
 &end
#
# 15 CYM  HA 32 HIS HE1 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 476, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 15 CYM  HB2 16 GLY HN 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 190, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 15 CYM  HB2 32 HIS HE1 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 476, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 15 CYM  HB3 16 GLY HN 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 190, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 15 CYM  HB3 32 HIS HE1 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 476, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 15 CYM  HN 15 CYM  HB2 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 185, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 15 CYM  HN 15 CYM  HB3 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 184, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 15 CYM  HN 15 CYM  QB 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 185, 184,
 &end
#
# 15 CYM  HN 16 GLY HA2 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 192, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 15 CYM  HN 16 GLY HA3 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 193, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 15 CYM  HN 16 GLY HN 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 190, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 15 CYM  QB 16 GLY HN 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 185, 184,
 &end
#
# 15 CYM  QB 17 LYS HN 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 197, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 185, 184,
 &end
#
# 15 CYM  QB 32 HIS HE1 3.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr1= 185, 184,
 &end
#
# 16 GLY HN 17 LYS HN 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 197, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 17 LYS HA 17 LYS HD2 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 207, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 17 LYS HA 17 LYS HD3 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 208, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 17 LYS HA 17 LYS HG2 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 17 LYS HA 17 LYS HG3 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 205, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 17 LYS HA 17 LYS QD 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 207, 208,
 &end
#
# 17 LYS HA 18 LYS HB2 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 223, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 17 LYS HA 18 LYS HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 LYS HA 18 LYS HG3 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 227, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 17 LYS HA 18 LYS HN 2.71
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 219, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
# 17 LYS HB2 17 LYS QE 5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 210, 211,
 &end
#
# 17 LYS HB2 18 LYS HN 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 219, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 17 LYS HB2 19 PHE HZ 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 253, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 17 LYS HB2 19 PHE QD 5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 249, 257,
 &end
#
# 17 LYS HB2 19 PHE QE 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 201,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 251, 255,
 &end
#
# 17 LYS HB2 28 HIS HE1 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 399, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 17 LYS HB3 17 LYS QD 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 207, 208,
 &end
#
# 17 LYS HB3 17 LYS QE 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 210, 211,
 &end
#
# 17 LYS HB3 18 LYS HN 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 219, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 17 LYS HB3 19 PHE HZ 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 253, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 17 LYS HB3 19 PHE QE 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 251, 255,
 &end
#
# 17 LYS HD2 19 PHE HZ 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 253, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 17 LYS HD2 28 HIS HE1 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 399, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 17 LYS HD3 19 PHE HZ 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 253, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 17 LYS HD3 28 HIS HE1 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 399, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 17 LYS HG2 17 LYS QE 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 210, 211,
 &end
#
# 17 LYS HG2 18 LYS HN 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 219, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 17 LYS HG3 17 LYS QE 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 210, 211,
 &end
#
# 17 LYS HG3 19 PHE QE 5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 251, 255,
 &end
#
# 17 LYS HG3 28 HIS HE1 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 399, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 17 LYS HN 17 LYS HB2 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 201, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 17 LYS HN 17 LYS HB3 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 202, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 17 LYS HN 17 LYS HG2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 204, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 17 LYS HN 17 LYS HG3 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 205, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 17 LYS HN 17 LYS QD 5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 207, 208,
 &end
#
# 17 LYS HN 18 LYS HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 197, 219, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 17 LYS HN 19 PHE QE 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 251, 255,
 &end
#
# 17 LYS QD 18 LYS HN 5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 207, 208,
 &end
#
# 17 LYS QD 19 PHE QE 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1= 207, 208,
 igr2= 251, 255,
 &end
#
# 17 LYS QE 28 HIS HE1 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 210, 211,
 &end
#
# 18 LYS HA 18 LYS HG2 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 226, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 18 LYS HA 18 LYS HG3 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 227, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 18 LYS HA 19 PHE QD 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 249, 257,
 &end
#
# 18 LYS HB2 18 LYS QD 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 229, 230,
 &end
#
# 18 LYS HB2 18 LYS QE 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 232, 233,
 &end
#
# 18 LYS HB2 19 PHE HN 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 241, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 18 LYS HB3 18 LYS QD 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 229, 230,
 &end
#
# 18 LYS HB3 18 LYS QE 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 224,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 232, 233,
 &end
#
# 18 LYS HB3 19 PHE HN 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 241, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 18 LYS HG2 18 LYS QE 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 226,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 232, 233,
 &end
#
# 18 LYS HG2 19 PHE HN 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 241, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 18 LYS HG3 18 LYS QE 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 232, 233,
 &end
#
# 18 LYS HG3 19 PHE HN 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 241, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 18 LYS HN 18 LYS HB2 3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 223, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 18 LYS HN 18 LYS HB3 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 224, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 18 LYS HN 18 LYS HG2 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 226, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 18 LYS HN 18 LYS HG3 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 227, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 18 LYS HN 18 LYS QD 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 229, 230,
 &end
#
# 18 LYS HN 19 PHE HN 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 241, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 19 PHE HA 19 PHE QD 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 249, 257,
 &end
#
# 19 PHE HB2 21 SER HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 283, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 19 PHE HB2 24 THR HB 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 327, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 19 PHE HB2 24 THR QG2 5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 329, 330, 331,
 &end
#
# 19 PHE HB2 25 LEU HA 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 339, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 19 PHE HB2 25 LEU HB2 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 341, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 19 PHE HB2 25 LEU HB3 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 342, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 19 PHE HB2 25 LEU HN 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 337, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 19 PHE HB2 25 LEU QD1 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 346, 347, 348,
 &end
#
# 19 PHE HB2 25 LEU QD2 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 350, 351, 352,
 &end
#
# 19 PHE HB3 21 SER HN 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 283, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 19 PHE HB3 24 THR HB 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 327, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
# 19 PHE HB3 24 THR QG2 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 329, 330, 331,
 &end
#
# 19 PHE HB3 25 LEU HA 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 339, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 19 PHE HB3 25 LEU HB2 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 341, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 19 PHE HB3 25 LEU HB3 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 342, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 19 PHE HB3 25 LEU HN 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 337, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 19 PHE HB3 25 LEU QD1 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 346, 347, 348,
 &end
#
# 19 PHE HN 19 PHE HB2 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 245, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 19 PHE HN 19 PHE HB3 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 246, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 19 PHE HN 19 PHE QD 3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 249, 257,
 &end
#
# 19 PHE HN 19 PHE QE 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 251, 255,
 &end
#
# 19 PHE HN 25 LEU QD1 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 346, 347, 348,
 &end
#
# 19 PHE HZ 25 LEU QD1 5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2= 346, 347, 348,
 &end
#
# 19 PHE HZ 28 HIS HB2 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 393, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 19 PHE HZ 28 HIS HB3 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 394, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 19 PHE HZ 28 HIS HD2 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 402, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 19 PHE HZ 28 HIS HE1 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 399, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 19 PHE QD 19 PHE HZ 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 249, 257,
 &end
#
# 19 PHE QD 24 THR HB 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 249, 257,
 &end
#
# 19 PHE QD 24 THR QG2 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 249, 257,
 igr2= 329, 330, 331,
 &end
#
# 19 PHE QD 25 LEU HA 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 249, 257,
 &end
#
# 19 PHE QD 25 LEU HB2 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 249, 257,
 &end
#
# 19 PHE QD 25 LEU HB3 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 249, 257,
 &end
#
# 19 PHE QD 25 LEU HG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 344, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 249, 257,
 &end
#
# 19 PHE QD 25 LEU HN 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 249, 257,
 &end
#
# 19 PHE QD 25 LEU QD1 3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 249, 257,
 igr2= 346, 347, 348,
 &end
#
# 19 PHE QD 25 LEU QD2 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 249, 257,
 igr2= 350, 351, 352,
 &end
#
# 19 PHE QE 24 THR QG2 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 251, 255,
 igr2= 329, 330, 331,
 &end
#
# 19 PHE QE 25 LEU HA 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 251, 255,
 &end
#
# 19 PHE QE 25 LEU QD1 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 251, 255,
 igr2= 346, 347, 348,
 &end
#
# 19 PHE QE 28 HIS HB2 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 251, 255,
 &end
#
# 19 PHE QE 28 HIS HB3 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 251, 255,
 &end
#
# 19 PHE QE 28 HIS HE1 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 251, 255,
 &end
#
# 20 LYS HA 20 LYS QD 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 271, 272,
 &end
#
# 20 LYS HA 20 LYS QG 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 268, 269,
 &end
#
# 20 LYS HB2 20 LYS QD 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 271, 272,
 &end
#
# 20 LYS HB2 21 SER HN 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 265, 283, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 20 LYS HB3 20 LYS QD 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 271, 272,
 &end
#
# 20 LYS HB3 21 SER HN 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 283, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 20 LYS QB 21 SER HN 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 265, 266,
 &end
#
# 20 LYS QG 20 LYS QD 2.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 268, 269,
 igr2= 271, 272,
 &end
#
# 20 LYS QG 20 LYS QE 3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 268, 269,
 igr2= 274, 275,
 &end
#
# 20 LYS QG 21 SER HN 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 268, 269,
 &end
#
# 20 LYS QG 21 SER QB 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 268, 269,
 igr2= 287, 288,
 &end
#
# 21 SER HN 24 THR HB 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 327, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 21 SER HN 24 THR QG2 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 329, 330, 331,
 &end
#
# 21 SER QB 24 THR HB 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 287, 288,
 &end
#
# 21 SER QB 24 THR QG2 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 287, 288,
 igr2= 329, 330, 331,
 &end
#
# 22 LYS HA 22 LYS HG2 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 301, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 22 LYS HA 22 LYS HG3 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 302, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 22 LYS HA 22 LYS QD 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 304, 305,
 &end
#
# 22 LYS HA 25 LEU HB3 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 342, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 22 LYS HA 25 LEU HG 5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 344, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 22 LYS HA 25 LEU HN 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 337, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 22 LYS HA 25 LEU QD2 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 350, 351, 352,
 &end
#
# 22 LYS HA 26 LYS HN 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 356, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 22 LYS QB 22 LYS QE 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 298, 299,
 igr2= 307, 308,
 &end
#
# 22 LYS QB 23 GLY HA2 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 298, 299,
 &end
#
# 22 LYS QB 23 GLY HA3 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 298, 299,
 &end
#
# 22 LYS QB 23 GLY QA 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 298, 299,
 igr2= 318, 319,
 &end
#
# 22 LYS QB 25 LEU QD2 4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 298, 299,
 igr2= 350, 351, 352,
 &end
#
# 22 LYS QB 26 LYS HN 5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 298, 299,
 &end
#
# 22 LYS QB 26 LYS QB 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 298, 299,
 igr2= 360, 361,
 &end
#
# 22 LYS QG 22 LYS QE 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 301, 302,
 igr2= 307, 308,
 &end
#
# 23 GLY HA2 26 LYS QB 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 360, 361,
 &end
#
# 23 GLY HA2 26 LYS QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 366, 367,
 &end
#
# 23 GLY HA3 26 LYS QB 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 360, 361,
 &end
#
# 23 GLY HA3 26 LYS QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 366, 367,
 &end
#
# 23 GLY QA 26 LYS HN 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 318, 319,
 &end
#
# 23 GLY QA 26 LYS QB 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 318, 319,
 igr2= 360, 361,
 &end
#
# 23 GLY QA 26 LYS QD 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 318, 319,
 igr2= 366, 367,
 &end
#
# 24 THR HA 24 THR QG2 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 329, 330, 331,
 &end
#
# 24 THR HA 25 LEU HA 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 339, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 24 THR HA 26 LYS HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 356, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 24 THR HA 27 SER HN 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 378, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 24 THR HB 25 LEU HN 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 337, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 24 THR HN 25 LEU HN 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 337, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 24 THR QG2 25 LEU HB3 5.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 329, 330, 331,
 &end
#
# 24 THR QG2 25 LEU HN 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 329, 330, 331,
 &end
#
# 24 THR QG2 27 SER QB 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1= 329, 330, 331,
 igr2= 382, 383,
 &end
#
# 24 THR QG2 28 HIS HB2 5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 329, 330, 331,
 &end
#
# 25 LEU HA 25 LEU HG 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 344, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 25 LEU HA 25 LEU QD1 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 346, 347, 348,
 &end
#
# 25 LEU HA 25 LEU QD2 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 350, 351, 352,
 &end
#
# 25 LEU HA 28 HIS HB2 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 393, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 25 LEU HA 28 HIS HB3 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 394, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 25 LEU HA 28 HIS HD2 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 402, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 25 LEU HA 28 HIS HN 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 389, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 25 LEU HA 29 LYS HN 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 406, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 25 LEU HB2 25 LEU QD1 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 346, 347, 348,
 &end
#
# 25 LEU HB2 25 LEU QD2 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 350, 351, 352,
 &end
#
# 25 LEU HB2 26 LYS HN 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 356, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 25 LEU HB3 25 LEU QD1 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 346, 347, 348,
 &end
#
# 25 LEU HB3 25 LEU QD2 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 350, 351, 352,
 &end
#
# 25 LEU HB3 26 LYS HN 3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 356, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 25 LEU HG 26 LYS HA 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 358, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 25 LEU HG 26 LYS HN 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 356, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 25 LEU HG 29 LYS HD2 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 416, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 25 LEU HG 29 LYS HD3 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 417, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 25 LEU HG 29 LYS HN 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 406, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 25 LEU HG 29 LYS QE 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 419, 420,
 &end
#
# 25 LEU HG 29 LYS QG 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 413, 414,
 &end
#
# 25 LEU HN 25 LEU HB2 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 341, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 25 LEU HN 25 LEU HB3 3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 342, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 25 LEU HN 25 LEU HG 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 344, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 25 LEU HN 25 LEU QD1 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 346, 347, 348,
 &end
#
# 25 LEU HN 25 LEU QD2 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 350, 351, 352,
 &end
#
# 25 LEU HN 26 LYS HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 LEU HN 26 LYS HN 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 356, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 25 LEU HN 27 SER QB 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 382, 383,
 &end
#
# 25 LEU QD1 26 LYS HA 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 346, 347, 348,
 &end
#
# 25 LEU QD1 26 LYS HN 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 346, 347, 348,
 &end
#
# 25 LEU QD1 28 HIS HB2 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 346, 347, 348,
 &end
#
# 25 LEU QD1 28 HIS HB3 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 346, 347, 348,
 &end
#
# 25 LEU QD1 28 HIS HD2 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 346, 347, 348,
 &end
#
# 25 LEU QD1 28 HIS HN 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 346, 347, 348,
 &end
#
# 25 LEU QD1 29 LYS HA 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 346, 347, 348,
 &end
#
# 25 LEU QD1 29 LYS HD2 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 416, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 346, 347, 348,
 &end
#
# 25 LEU QD1 29 LYS HD3 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 346, 347, 348,
 &end
#
# 25 LEU QD1 29 LYS HE2 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 346, 347, 348,
 &end
#
# 25 LEU QD1 29 LYS HE3 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 346, 347, 348,
 &end
#
# 25 LEU QD1 29 LYS HG2 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 346, 347, 348,
 &end
#
# 25 LEU QD1 29 LYS HG3 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 346, 347, 348,
 &end
#
# 25 LEU QD1 29 LYS HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 346, 347, 348,
 &end
#
# 25 LEU QD1 29 LYS QB 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 346, 347, 348,
 igr2= 410, 411,
 &end
#
# 25 LEU QD1 29 LYS QE 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 346, 347, 348,
 igr2= 419, 420,
 &end
#
# 25 LEU QD2 26 LYS HA 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 358, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 350, 351, 352,
 &end
#
# 25 LEU QD2 26 LYS HN 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 350, 351, 352,
 &end
#
# 25 LEU QD2 29 LYS HD2 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 416, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 350, 351, 352,
 &end
#
# 25 LEU QD2 29 LYS HD3 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 350, 351, 352,
 &end
#
# 25 LEU QD2 29 LYS HE2 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 350, 351, 352,
 &end
#
# 25 LEU QD2 29 LYS HE3 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 350, 351, 352,
 &end
#
# 25 LEU QD2 29 LYS QD 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 350, 351, 352,
 igr2= 416, 417,
 &end
#
# 25 LEU QD2 29 LYS QE 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 350, 351, 352,
 igr2= 419, 420,
 &end
#
# 26 LYS HA 26 LYS HG2 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 363, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 26 LYS HA 26 LYS HG3 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 364, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 26 LYS HA 26 LYS QD 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 366, 367,
 &end
#
# 26 LYS HA 26 LYS QE 5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 369, 370,
 &end
#
# 26 LYS HA 26 LYS QG 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 363, 364,
 &end
#
# 26 LYS HA 28 HIS HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 394, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 LYS HA 29 LYS HD2 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 416, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 26 LYS HA 29 LYS HD3 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 417, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 26 LYS HA 29 LYS HN 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 406, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 26 LYS HA 29 LYS QB 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 410, 411,
 &end
#
# 26 LYS HA 29 LYS QD 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 416, 417,
 &end
#
# 26 LYS HA 29 LYS QG 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 413, 414,
 &end
#
# 26 LYS HA 30 LEU HG 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 LYS HA 30 LEU HN 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 428, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 26 LYS HA 30 LEU QD1 5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2= 437, 438, 439,
 &end
#
# 26 LYS HG2 26 LYS QE 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 363,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 369, 370,
 &end
#
# 26 LYS HG2 27 SER HN 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 378, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 26 LYS HG3 26 LYS QE 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 369, 370,
 &end
#
# 26 LYS HG3 27 SER HN 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 378, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 26 LYS HN 26 LYS QB 2.81
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr2= 360, 361,
 &end
#
# 26 LYS HN 26 LYS QD 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 366, 367,
 &end
#
# 26 LYS HN 26 LYS QE 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 369, 370,
 &end
#
# 26 LYS HN 26 LYS QG 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 363, 364,
 &end
#
# 26 LYS HN 27 SER HN 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 378, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 26 LYS HN 28 HIS HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 394, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 26 LYS HN 28 HIS HN 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 389, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 26 LYS QB 26 LYS QD 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 360, 361,
 igr2= 366, 367,
 &end
#
# 26 LYS QB 26 LYS QE 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 360, 361,
 igr2= 369, 370,
 &end
#
# 26 LYS QB 27 SER HA 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 360, 361,
 &end
#
# 26 LYS QB 27 SER HN 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1= 360, 361,
 &end
#
# 26 LYS QB 27 SER QB 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 360, 361,
 igr2= 382, 383,
 &end
#
# 26 LYS QE 27 SER HN 5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 369, 370,
 &end
#
# 26 LYS QG 26 LYS QE 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 363, 364,
 igr2= 369, 370,
 &end
#
# 26 LYS QG 27 SER HA 5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 363, 364,
 &end
#
# 26 LYS QG 27 SER HN 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 363, 364,
 &end
#
# 26 LYS QG 28 HIS HN 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 363, 364,
 &end
#
# 27 SER HA 30 LEU HB2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 432, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 27 SER HA 30 LEU HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 SER HA 30 LEU HG 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 435, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 27 SER HA 30 LEU HN 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 428, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 27 SER HA 30 LEU QD1 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 437, 438, 439,
 &end
#
# 27 SER HN 27 SER QB 2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr2= 382, 383,
 &end
#
# 27 SER HN 28 HIS HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 394, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 27 SER HN 29 LYS HN 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 406, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 27 SER HN 30 LEU QD1 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 437, 438, 439,
 &end
#
# 27 SER QB 28 HIS HA 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 382, 383,
 &end
#
# 27 SER QB 28 HIS HB2 4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 382, 383,
 &end
#
# 27 SER QB 28 HIS HB3 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 382, 383,
 &end
#
# 27 SER QB 28 HIS HN 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 389, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1= 382, 383,
 &end
#
# 27 SER QB 30 LEU QD1 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 382, 383,
 igr2= 437, 438, 439,
 &end
#
# 28 HIS HA 29 LYS HA 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 408, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 28 HIS HA 31 LEU HB2 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 451, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 28 HIS HA 31 LEU HG 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 454, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 28 HIS HA 31 LEU HN 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 447, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 28 HIS HA 31 LEU QD1 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 456, 457, 458,
 &end
#
# 28 HIS HB2 29 LYS HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 406, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 28 HIS HB3 28 HIS HD2 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 394, 402, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 28 HIS HB3 29 LYS HN 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 394, 406, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 28 HIS HB3 29 LYS QB 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 410, 411,
 &end
#
# 28 HIS HD2 29 LYS HA 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 408, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 28 HIS HD2 29 LYS HG2 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 413, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 28 HIS HD2 29 LYS HG3 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 414, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 28 HIS HD2 29 LYS HN 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 406, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 28 HIS HD2 29 LYS QB 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 410, 411,
 &end
#
# 28 HIS HD2 29 LYS QG 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 413, 414,
 &end
#
# 28 HIS HD2 32 HIS HD2 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 479, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 28 HIS HE1 31 LEU QD1 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2= 456, 457, 458,
 &end
#
# 28 HIS HN 28 HIS HB2 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 393, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 28 HIS HN 28 HIS HB3 2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 394, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 28 HIS HN 28 HIS HD2 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 402, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 28 HIS HN 29 LYS HN 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 406, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 28 HIS HN 29 LYS QB 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 410, 411,
 &end
#
# 28 HIS HN 30 LEU HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 389, 428, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 28 HIS HN 30 LEU QD1 5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 437, 438, 439,
 &end
#
# 29 LYS HA 29 LYS HD2 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 416, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 29 LYS HA 29 LYS HD3 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 417, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 29 LYS HA 29 LYS HG2 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 413, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 29 LYS HA 29 LYS HG3 4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 414, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 29 LYS HA 29 LYS QD 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 416, 417,
 &end
#
# 29 LYS HA 29 LYS QG 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 413, 414,
 &end
#
# 29 LYS HA 30 LEU HA 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 430, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 LYS HA 31 LEU HN 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 447, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 29 LYS HA 32 HIS HD2 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 479, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 29 LYS HA 32 HIS HN 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 466, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 29 LYS HA 32 HIS QB 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 470, 471,
 &end
#
# 29 LYS HN 29 LYS HG2 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 413, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 29 LYS HN 29 LYS HG3 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 414, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 29 LYS HN 29 LYS QB 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2= 410, 411,
 &end
#
# 29 LYS HN 29 LYS QG 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 413, 414,
 &end
#
# 29 LYS HN 30 LEU HN 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 428, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 29 LYS HN 31 LEU HN 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 447, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 29 LYS QB 29 LYS HE2 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 410, 411,
 &end
#
# 29 LYS QB 29 LYS HE3 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 410, 411,
 &end
#
# 29 LYS QB 29 LYS QE 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 410, 411,
 igr2= 419, 420,
 &end
#
# 29 LYS QB 30 LEU HA 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 410, 411,
 &end
#
# 29 LYS QB 30 LEU HN 3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 410, 411,
 &end
#
# 29 LYS QB 32 HIS HD2 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 479, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 410, 411,
 &end
#
# 29 LYS QG 32 HIS HD2 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 479, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 413, 414,
 &end
#
# 30 LEU HA 30 LEU HG 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 435, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 30 LEU HA 30 LEU QD1 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 437, 438, 439,
 &end
#
# 30 LEU HA 30 LEU QD2 2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 441, 442, 443,
 &end
#
# 30 LEU HA 32 HIS HN 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 466, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 30 LEU HA 33 THR QG2 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 489, 490, 491,
 &end
#
# 30 LEU HB2 30 LEU QD1 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 437, 438, 439,
 &end
#
# 30 LEU HB2 30 LEU QD2 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 441, 442, 443,
 &end
#
# 30 LEU HB2 31 LEU HN 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 447, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 30 LEU HB2 31 LEU QD2 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 460, 461, 462,
 &end
#
# 30 LEU HB3 30 LEU QD1 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 437, 438, 439,
 &end
#
# 30 LEU HB3 30 LEU QD2 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 441, 442, 443,
 &end
#
# 30 LEU HB3 31 LEU HN 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 447, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 30 LEU HN 30 LEU HB2 2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 432, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 30 LEU HN 30 LEU HB3 3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 433, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 30 LEU HN 30 LEU HG 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 435, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 30 LEU HN 30 LEU QD1 3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 437, 438, 439,
 &end
#
# 30 LEU HN 30 LEU QD2 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 441, 442, 443,
 &end
#
# 30 LEU HN 31 LEU HG 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 454, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 30 LEU HN 31 LEU HN 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 447, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 30 LEU QD1 31 LEU HN 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 437, 438, 439,
 &end
#
# 30 LEU QD2 31 LEU HN 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 441, 442, 443,
 &end
#
# 30 LEU QD2 33 THR QG2 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 441, 442, 443,
 igr2= 489, 490, 491,
 &end
#
# 31 LEU HA 31 LEU HG 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 454, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 31 LEU HA 31 LEU QD1 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 456, 457, 458,
 &end
#
# 31 LEU HA 31 LEU QD2 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 460, 461, 462,
 &end
#
# 31 LEU HB2 31 LEU QD1 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 456, 457, 458,
 &end
#
# 31 LEU HB2 31 LEU QD2 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 460, 461, 462,
 &end
#
# 31 LEU HB2 32 HIS HD2 5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 479, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
# 31 LEU HB2 32 HIS HN 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 466, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 31 LEU HB3 31 LEU QD1 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 456, 457, 458,
 &end
#
# 31 LEU HB3 31 LEU QD2 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 460, 461, 462,
 &end
#
# 31 LEU HB3 32 HIS HN 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 466, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 31 LEU HG 32 HIS HN 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 466, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 31 LEU HN 31 LEU HB2 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 451, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 31 LEU HN 31 LEU HB3 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 452, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 31 LEU HN 31 LEU HG 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 454, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 31 LEU HN 31 LEU QD1 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 456, 457, 458,
 &end
#
# 31 LEU HN 31 LEU QD2 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 460, 461, 462,
 &end
#
# 31 LEU HN 32 HIS HN 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 466, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 31 LEU HN 32 HIS QB 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 470, 471,
 &end
#
# 32 HIS HN 32 HIS HD2 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 479, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 32 HIS HN 32 HIS QB 2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
 igr2= 470, 471,
 &end
#
# 32 HIS HN 33 THR HN 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 483, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 32 HIS QB 32 HIS HD2 3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 479, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr1= 470, 471,
 &end
#
# 32 HIS QB 33 THR HA 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 470, 471,
 &end
#
# 32 HIS QB 33 THR HN 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 470, 471,
 &end
#
# 32 HIS QB 33 THR QG2 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 470, 471,
 igr2= 489, 490, 491,
 &end
#
# 33 THR HA 33 THR QG2 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 489, 490, 491,
 &end
#
# 33 THR HN 33 THR QG2 4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 489, 490, 491,
 &end
#
# 34 ALA QB 35 ASP HN 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 501, 502, 503,
 &end
# 526 atoms read from pdb file leap.pdb.
# 11 LEU PHI:  (10 HID C)-(11 LEU N)-(11 LEU CA)-(11 LEU C) -129.9 -69.9
 &rst     iat =   119,   121,   123,   138,
   r1 = -130.9, r2 = -129.9, r3 = -69.9, r4 = -68.9,
   rk2 = 60.0, rk3 = 60.0,    &end
# 11 LEU PSI:  (11 LEU N)-(11 LEU CA)-(11 LEU C)-(12 CYM N)  88.6 148.6
 &rst     iat =   121,   123,   138,   140,
   r1 =  87.6, r2 =  88.6, r3 = 148.6, r4 = 149.6,
 &end
# 12 CYS PHI:  (11 LEU C)-(12 CYM N)-(12 CYM CA)-(12 CYM C) -105.0 -45.0
 &rst     iat =   138,   140,   142,   148,
   r1 = -106.0, r2 = -105.0, r3 = -45.0, r4 = -44.0,
 &end
# 12 CYS PSI:  (12 CYM N)-(12 CYM CA)-(12 CYM C)-(13 ASP N) 101.0 161.0
 &rst     iat =   140,   142,   148,   150,
   r1 = 100.0, r2 = 101.0, r3 = 161.0, r4 = 162.0,
 &end
# 17 LYS PHI:  (16 GLY C)-(17 LYS N)-(17 LYS CA)-(17 LYS C) -120.0 -60.0
 &rst     iat =   194,   196,   198,   216,
   r1 = -121.0, r2 = -120.0, r3 = -60.0, r4 = -59.0,
 &end
# 17 LYS PSI:  (17 LYS N)-(17 LYS CA)-(17 LYS C)-(18 LYS N) 118.0 178.0
 &rst     iat =   196,   198,   216,   218,
   r1 = 117.0, r2 = 118.0, r3 = 178.0, r4 = 179.0,
 &end
# 18 LYS PHI:  (17 LYS C)-(18 LYS N)-(18 LYS CA)-(18 LYS C) -146.0 -86.0
 &rst     iat =   216,   218,   220,   238,
   r1 = -147.0, r2 = -146.0, r3 = -86.0, r4 = -85.0,
 &end
# 18 LYS PSI:  (18 LYS N)-(18 LYS CA)-(18 LYS C)-(19 PHE N) 110.0 170.0
 &rst     iat =   218,   220,   238,   240,
   r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
 &end
# 19 PHE PHI:  (18 LYS C)-(19 PHE N)-(19 PHE CA)-(19 PHE C) -134.0 -74.0
 &rst     iat =   238,   240,   242,   258,
   r1 = -135.0, r2 = -134.0, r3 = -74.0, r4 = -73.0,
 &end
# 19 PHE PSI:  (19 PHE N)-(19 PHE CA)-(19 PHE C)-(20 LYS N)  97.0 157.0
 &rst     iat =   240,   242,   258,   260,
   r1 =  96.0, r2 =  97.0, r3 = 157.0, r4 = 158.0,
 &end
# 23 GLY PHI:  (22 LYS C)-(23 GLY N)-(23 GLY CA)-(23 GLY C) -97.0 -37.0
 &rst     iat =   313,   315,   317,   320,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end
# 23 GLY PSI:  (23 GLY N)-(23 GLY CA)-(23 GLY C)-(24 THR N) -68.0  -8.0
 &rst     iat =   315,   317,   320,   322,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end
# 24 THR PHI:  (23 GLY C)-(24 THR N)-(24 THR CA)-(24 THR C) -96.0 -36.0
 &rst     iat =   320,   322,   324,   334,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end
# 24 THR PSI:  (24 THR N)-(24 THR CA)-(24 THR C)-(25 LEU N) -71.0 -11.0
 &rst     iat =   322,   324,   334,   336,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 25 LEU PHI:  (24 THR C)-(25 LEU N)-(25 LEU CA)-(25 LEU C) -97.0 -37.0
 &rst     iat =   334,   336,   338,   353,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end
# 25 LEU PSI:  (25 LEU N)-(25 LEU CA)-(25 LEU C)-(26 LYS N) -74.0 -14.0
 &rst     iat =   336,   338,   353,   355,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end
# 26 LYS PHI:  (25 LEU C)-(26 LYS N)-(26 LYS CA)-(26 LYS C) -89.0 -29.0
 &rst     iat =   353,   355,   357,   375,
   r1 = -90.0, r2 = -89.0, r3 = -29.0, r4 = -28.0,
 &end
# 26 LYS PSI:  (26 LYS N)-(26 LYS CA)-(26 LYS C)-(27 SER N) -71.0 -11.0
 &rst     iat =   355,   357,   375,   377,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 27 SER PHI:  (26 LYS C)-(27 SER N)-(27 SER CA)-(27 SER C) -96.0 -36.0
 &rst     iat =   375,   377,   379,   386,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end
# 27 SER PSI:  (27 SER N)-(27 SER CA)-(27 SER C)-(28 HID N) -70.0 -10.0
 &rst     iat =   377,   379,   386,   388,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end
# 28 HIS PHI:  (27 SER C)-(28 HID N)-(28 HID CA)-(28 HID C) -97.0 -37.0
 &rst     iat =   386,   388,   390,   403,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end
# 28 HIS PSI:  (28 HID N)-(28 HID CA)-(28 HID C)-(29 LYS N) -70.0 -10.0
 &rst     iat =   388,   390,   403,   405,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end
# 29 LYS PHI:  (28 HID C)-(29 LYS N)-(29 LYS CA)-(29 LYS C) -96.0 -36.0
 &rst     iat =   403,   405,   407,   425,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end
# 29 LYS PSI:  (29 LYS N)-(29 LYS CA)-(29 LYS C)-(30 LEU N) -65.0  -5.0
 &rst     iat =   405,   407,   425,   427,
   r1 = -66.0, r2 = -65.0, r3 =  -5.0, r4 =  -4.0,
 &end
# 30 LEU PHI:  (29 LYS C)-(30 LEU N)-(30 LEU CA)-(30 LEU C) -97.0 -37.0
 &rst     iat =   425,   427,   429,   444,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end
# 30 LEU PSI:  (30 LEU N)-(30 LEU CA)-(30 LEU C)-(31 LEU N) -64.0  -4.0
 &rst     iat =   427,   429,   444,   446,
   r1 = -65.0, r2 = -64.0, r3 =  -4.0, r4 =  -3.0,
 &end
# 31 LEU PHI:  (30 LEU C)-(31 LEU N)-(31 LEU CA)-(31 LEU C) -101.0 -41.0
 &rst     iat =   444,   446,   448,   463,
   r1 = -102.0, r2 = -101.0, r3 = -41.0, r4 = -40.0,
 &end
# 31 LEU PSI:  (31 LEU N)-(31 LEU CA)-(31 LEU C)-(32 HID N) -62.0  -2.0
 &rst     iat =   446,   448,   463,   465,
   r1 = -63.0, r2 = -62.0, r3 =  -2.0, r4 =  -1.0,
 &end
# 32 HIS PHI:  (31 LEU C)-(32 HID N)-(32 HID CA)-(32 HID C) -108.0 -48.0
 &rst     iat =   463,   465,   467,   480,
   r1 = -109.0, r2 = -108.0, r3 = -48.0, r4 = -47.0,
 &end
# 32 HIS PSI:  (32 HID N)-(32 HID CA)-(32 HID C)-(33 THR N) -53.0   7.0
 &rst     iat =   465,   467,   480,   482,
   r1 = -54.0, r2 = -53.0, r3 =   7.0, r4 =   8.0,
 &end
#
#  12 CYM  SG   15 CYM  SG   3.56  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 186, r1= 3.06, r2= 3.56, r3= 3.96, r4= 4.46, 
      rk2=1000, rk3=1000, ir6=1, ialtd=0,
 &end
#
#  12 CYM  SG   28 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 400, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  SG   32 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 477, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  12 CYM  CB   37  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 526, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  12 CYM  SG   37  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 526, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  15 CYM  SG   28 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 400, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  15 CYM  SG   32 HID NE2   3.32  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 477, r1= 2.82, r2= 3.32, r3= 3.72, r4= 4.22,  &end
#
#  15 CYM  CB   37  Zn  Zn   3.25  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 526, r1= 2.75, r2= 3.25, r3= 3.51, r4= 4.01,  &end
#
#  15 CYM  SG   37  Zn  Zn   2.19  2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 526, r1= 1.69, r2= 2.19, r3= 2.39, r4= 2.89,  &end
#
#  28 HID NE2   32 HID NE2   3.00  3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 477, r1= 2.50, r2= 3.00, r3= 3.60, r4= 4.10,  &end
#
#  28 HID NE2   37  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 526, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end
#
#  32 HID NE2   37  Zn  Zn   1.90  2.10
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 526, 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   2.040 -16.035  -6.610
    2    H2   GLY   1           2H       GLY   1   2.647 -15.354  -5.253
    3    H3   GLY   1           3H       GLY   1   2.015 -16.867  -5.192
    4    HA2  GLY   1           1HA      GLY   1   4.436 -16.938  -5.140
    5    HA3  GLY   1           2HA      GLY   1   3.759 -17.747  -6.567
    6    H    SER   2           H        SER   2   6.276 -17.127  -6.925
    7    HA   SER   2           HA       SER   2   7.001 -14.503  -7.633
    8    HB2  SER   2           1HB      SER   2   8.099 -17.095  -8.783
    9    HB3  SER   2           2HB      SER   2   8.915 -15.520  -8.743
   10    HG   SER   2           HG       SER   2   9.581 -16.884  -7.015
   11    H    SER   3           H        SER   3   5.283 -16.871  -9.599
   12    HA   SER   3           HA       SER   3   5.627 -15.367 -12.097
   13    HB2  SER   3           1HB      SER   3   3.949 -17.827 -11.508
   14    HB3  SER   3           2HB      SER   3   4.358 -17.178 -13.109
   15    HG   SER   3           HG       SER   3   5.752 -18.897 -12.496
   16    H    GLY   4           H        GLY   4   3.431 -15.025  -9.500
   17    HA2  GLY   4           1HA      GLY   4   1.912 -12.993 -10.581
   18    HA3  GLY   4           2HA      GLY   4   1.009 -14.442 -11.018
   19    H    SER   5           H        SER   5   0.099 -12.323  -9.372
   20    HA   SER   5           HA       SER   5   0.061 -13.224  -6.577
   21    HB2  SER   5           1HB      SER   5  -1.269 -11.165  -6.235
   22    HB3  SER   5           2HB      SER   5   0.284 -10.865  -7.030
   23    HG   SER   5           HG       SER   5  -1.445  -9.741  -8.049
   24    H    SER   6           H        SER   6  -2.063 -13.208  -5.419
   25    HA   SER   6           HA       SER   6  -4.417 -14.130  -6.946
   26    HB2  SER   6           1HB      SER   6  -3.127 -16.175  -6.258
   27    HB3  SER   6           2HB      SER   6  -3.353 -15.693  -4.565
   28    HG   SER   6           HG       SER   6  -4.968 -17.174  -5.329
   29    H    GLY   7           H        GLY   7  -6.401 -13.981  -5.701
   30    HA2  GLY   7           1HA      GLY   7  -7.884 -12.800  -4.351
   31    HA3  GLY   7           2HA      GLY   7  -6.583 -12.574  -3.184
   32    H    LYS   8           H        LYS   8  -7.223 -10.433  -2.771
   33    HA   LYS   8           HA       LYS   8  -6.225  -8.422  -4.713
   34    HB2  LYS   8           1HB      LYS   8  -8.684  -8.641  -5.056
   35    HB3  LYS   8           2HB      LYS   8  -8.951  -8.212  -3.362
   36    HG2  LYS   8           1HG      LYS   8  -7.875  -6.002  -3.756
   37    HG3  LYS   8           2HG      LYS   8  -7.589  -6.435  -5.446
   38    HD2  LYS   8           1HD      LYS   8 -10.327  -6.196  -4.114
   39    HD3  LYS   8           2HD      LYS   8  -9.554  -4.945  -5.096
   40    HE2  LYS   8           1HE      LYS   8  -9.514  -6.499  -7.046
   41    HE3  LYS   8           2HE      LYS   8 -10.338  -7.727  -6.075
   42    HZ1  LYS   8           3HZ      LYS   8 -12.219  -6.192  -5.848
   43    HZ2  LYS   8           1HZ      LYS   8 -11.912  -6.472  -7.425
   44    HZ3  LYS   8           2HZ      LYS   8 -11.460  -5.059  -6.749
   45    H    THR   9           H        THR   9  -5.143  -6.791  -3.808
   46    HA   THR   9           HA       THR   9  -5.417  -6.080  -0.951
   47    HB   THR   9           HB       THR   9  -2.948  -5.986  -0.653
   48    HG1  THR   9           1HG      THR   9  -2.884  -7.627  -2.965
   49   HG21  THR   9          3HG2      THR   9  -2.525  -8.289  -0.175
   50   HG22  THR   9          1HG2      THR   9  -3.858  -8.826  -1.216
   51   HG23  THR   9          2HG2      THR   9  -4.196  -7.909   0.274
   52    H    HIS  10           H        HIS  10  -4.526  -4.020  -0.426
   53    HA   HIS  10           HA       HIS  10  -4.064  -2.183  -2.731
   54    HB2  HIS  10           1HB      HIS  10  -4.530  -1.642   0.223
   55    HB3  HIS  10           2HB      HIS  10  -4.212  -0.426  -1.007
   56    HD1  HIS  10           1HD      HIS  10  -6.225   0.196  -2.650
   57    HD2  HIS  10           2HD      HIS  10  -6.979  -2.897   0.096
   58    HE1  HIS  10           1HE      HIS  10  -8.752  -0.146  -2.640
   59    H    LEU  11           H        LEU  11  -2.080  -2.801  -3.405
   60    HA   LEU  11           HA       LEU  11   0.106  -3.343  -1.514
   61    HB2  LEU  11           1HB      LEU  11  -0.221  -4.962  -3.166
   62    HB3  LEU  11           2HB      LEU  11  -0.390  -3.761  -4.456
   63    HG   LEU  11           HG       LEU  11   2.047  -3.220  -4.263
   64   HD11  LEU  11          1HD1      LEU  11   2.139  -5.688  -2.479
   65   HD12  LEU  11          2HD1      LEU  11   2.470  -4.028  -1.941
   66   HD13  LEU  11          3HD1      LEU  11   3.529  -4.801  -3.122
   67   HD21  LEU  11          3HD2      LEU  11   2.802  -5.271  -5.375
   68   HD22  LEU  11          1HD2      LEU  11   1.191  -4.801  -5.941
   69   HD23  LEU  11          2HD2      LEU  11   1.362  -6.139  -4.781
   70    H    CYS  12           H        CYS  12   1.737  -2.115  -1.060
   71    HA   CYS  12           HA       CYS  12   2.142   0.559  -2.153
   72    HB2  CYS  12           1HB      CYS  12   2.435  -0.238   0.262
   73    HB3  CYS  12           2HB      CYS  12   3.879  -1.085  -0.277
   74    H    ASP  13           H        ASP  13   3.104   0.797  -4.112
   75    HA   ASP  13           HA       ASP  13   4.914  -1.170  -5.262
   76    HB2  ASP  13           1HB      ASP  13   5.038   0.374  -7.129
   77    HB3  ASP  13           2HB      ASP  13   3.367   0.138  -6.634
   78    H    MET  14           H        MET  14   5.410   1.146  -2.881
   79    HA   MET  14           HA       MET  14   8.109   2.006  -3.716
   80    HB2  MET  14           1HB      MET  14   6.425   2.648  -1.273
   81    HB3  MET  14           2HB      MET  14   7.976   3.369  -1.660
   82    HG2  MET  14           1HG      MET  14   7.035   4.262  -3.762
   83    HG3  MET  14           2HG      MET  14   5.465   3.552  -3.373
   84    HE1  MET  14           3HE      MET  14   5.893   6.617  -4.135
   85    HE2  MET  14           1HE      MET  14   4.316   5.873  -3.783
   86    HE3  MET  14           2HE      MET  14   4.790   7.381  -2.965
   87    H    CYS  15           H        CYS  15   6.663  -0.034  -1.199
   88    HA   CYS  15           HA       CYS  15   9.372  -1.065  -0.469
   89    HB2  CYS  15           1HB      CYS  15   8.726  -1.211   1.830
   90    HB3  CYS  15           2HB      CYS  15   8.630   0.444   1.233
   91    H    GLY  16           H        GLY  16   6.121  -1.875  -1.373
   92    HA2  GLY  16           1HA      GLY  16   5.493  -3.975  -2.234
   93    HA3  GLY  16           2HA      GLY  16   6.822  -4.754  -1.392
   94    H    LYS  17           H        LYS  17   5.221  -2.792   0.857
   95    HA   LYS  17           HA       LYS  17   3.932  -5.031   2.197
   96    HB2  LYS  17           1HB      LYS  17   3.911  -2.033   2.727
   97    HB3  LYS  17           2HB      LYS  17   3.119  -3.224   3.764
   98    HG2  LYS  17           1HG      LYS  17   5.285  -4.367   4.142
   99    HG3  LYS  17           2HG      LYS  17   6.102  -3.174   3.117
  100    HD2  LYS  17           1HD      LYS  17   5.304  -1.363   4.659
  101    HD3  LYS  17           2HD      LYS  17   4.648  -2.596   5.741
  102    HE2  LYS  17           1HE      LYS  17   7.574  -2.344   4.891
  103    HE3  LYS  17           2HE      LYS  17   6.909  -1.704   6.396
  104    HZ1  LYS  17           3HZ      LYS  17   7.928  -3.856   6.771
  105    HZ2  LYS  17           1HZ      LYS  17   6.982  -4.582   5.662
  106    HZ3  LYS  17           2HZ      LYS  17   6.326  -3.987   7.039
  107    H    LYS  18           H        LYS  18   1.822  -5.437   2.581
  108    HA   LYS  18           HA       LYS  18  -0.139  -4.433   0.545
  109    HB2  LYS  18           1HB      LYS  18   0.344  -7.154   1.801
  110    HB3  LYS  18           2HB      LYS  18  -1.180  -6.746   1.015
  111    HG2  LYS  18           1HG      LYS  18  -0.126  -6.347  -1.103
  112    HG3  LYS  18           2HG      LYS  18   1.485  -6.387  -0.388
  113    HD2  LYS  18           1HD      LYS  18   1.259  -8.774   0.133
  114    HD3  LYS  18           2HD      LYS  18  -0.381  -8.786  -0.546
  115    HE2  LYS  18           1HE      LYS  18   0.513  -8.094  -2.748
  116    HE3  LYS  18           2HE      LYS  18   2.151  -8.050  -2.078
  117    HZ1  LYS  18           3HZ      LYS  18   0.457 -10.486  -2.263
  118    HZ2  LYS  18           1HZ      LYS  18   1.969 -10.440  -1.641
  119    HZ3  LYS  18           2HZ      LYS  18   1.731 -10.145  -3.227
  120    H    PHE  19           H        PHE  19  -2.017  -3.656   1.141
  121    HA   PHE  19           HA       PHE  19  -2.800  -3.635   4.027
  122    HB2  PHE  19           1HB      PHE  19  -2.805  -1.383   1.985
  123    HB3  PHE  19           2HB      PHE  19  -3.446  -1.246   3.602
  124    HD1  PHE  19           2HD      PHE  19  -1.890  -1.537   5.609
  125    HD2  PHE  19           1HD      PHE  19  -0.423  -1.244   1.569
  126    HE1  PHE  19           2HE      PHE  19   0.383  -1.026   6.469
  127    HE2  PHE  19           1HE      PHE  19   1.847  -0.742   2.429
  128    HZ   PHE  19           HZ       PHE  19   2.257  -0.643   4.881
  129    H    LYS  20           H        LYS  20  -5.000  -3.263   4.514
  130    HA   LYS  20           HA       LYS  20  -6.800  -4.702   2.691
  131    HB2  LYS  20           1HB      LYS  20  -8.214  -5.011   4.577
  132    HB3  LYS  20           2HB      LYS  20  -6.552  -5.340   5.059
  133    HG2  LYS  20           1HG      LYS  20  -6.437  -3.016   6.058
  134    HG3  LYS  20           2HG      LYS  20  -8.145  -2.802   5.680
  135    HD2  LYS  20           1HD      LYS  20  -6.934  -4.906   7.523
  136    HD3  LYS  20           2HD      LYS  20  -7.777  -3.453   8.041
  137    HE2  LYS  20           1HE      LYS  20  -9.031  -5.757   6.473
  138    HE3  LYS  20           2HE      LYS  20  -9.138  -5.534   8.217
  139    HZ1  LYS  20           3HZ      LYS  20 -11.106  -4.663   7.139
  140    HZ2  LYS  20           1HZ      LYS  20 -10.241  -3.649   6.201
  141    HZ3  LYS  20           2HZ      LYS  20 -10.298  -3.425   7.822
  142    H    SER  21           H        SER  21  -6.183  -1.456   3.017
  143    HA   SER  21           HA       SER  21  -8.589  -0.749   1.493
  144    HB2  SER  21           1HB      SER  21  -9.420  -0.395   3.746
  145    HB3  SER  21           2HB      SER  21  -7.978   0.537   4.181
  146    HG   SER  21           HG       SER  21  -9.901   1.784   3.570
  147    H    LYS  22           H        LYS  22  -8.339   1.100   0.275
  148    HA   LYS  22           HA       LYS  22  -5.709   2.103  -0.369
  149    HB2  LYS  22           1HB      LYS  22  -6.981   3.854  -1.649
  150    HB3  LYS  22           2HB      LYS  22  -7.318   2.191  -2.097
  151    HG2  LYS  22           1HG      LYS  22  -9.447   2.225  -0.874
  152    HG3  LYS  22           2HG      LYS  22  -9.108   3.863  -0.291
  153    HD2  LYS  22           1HD      LYS  22  -9.140   4.708  -2.627
  154    HD3  LYS  22           2HD      LYS  22  -9.370   3.061  -3.220
  155    HE2  LYS  22           1HE      LYS  22 -11.501   4.119  -3.286
  156    HE3  LYS  22           2HE      LYS  22 -11.541   2.925  -1.989
  157    HZ1  LYS  22           3HZ      LYS  22 -11.143   5.850  -1.605
  158    HZ2  LYS  22           1HZ      LYS  22 -11.225   4.749  -0.395
  159    HZ3  LYS  22           2HZ      LYS  22 -12.532   5.049  -1.320
  160    H    GLY  23           H        GLY  23  -8.112   3.145   1.988
  161    HA2  GLY  23           1HA      GLY  23  -6.906   5.707   2.635
  162    HA3  GLY  23           2HA      GLY  23  -7.998   4.754   3.651
  163    H    THR  24           H        THR  24  -6.499   2.377   3.938
  164    HA   THR  24           HA       THR  24  -4.541   3.066   5.926
  165    HB   THR  24           HB       THR  24  -4.892   0.373   4.562
  166    HG1  THR  24           1HG      THR  24  -6.299   0.008   6.377
  167   HG21  THR  24          3HG2      THR  24  -2.904   0.588   6.063
  168   HG22  THR  24          1HG2      THR  24  -4.119  -0.519   6.721
  169   HG23  THR  24          2HG2      THR  24  -3.970   1.131   7.374
  170    H    LEU  25           H        LEU  25  -4.200   1.814   2.546
  171    HA   LEU  25           HA       LEU  25  -1.357   1.812   2.481
  172    HB2  LEU  25           1HB      LEU  25  -2.660   0.664   0.816
  173    HB3  LEU  25           2HB      LEU  25  -3.517   2.137   0.382
  174    HG   LEU  25           HG       LEU  25  -1.389   3.095  -0.531
  175   HD11  LEU  25          1HD1      LEU  25   0.241   1.771   0.814
  176   HD12  LEU  25          2HD1      LEU  25   0.531   1.620  -0.917
  177   HD13  LEU  25          3HD1      LEU  25  -0.276   0.302  -0.046
  178   HD21  LEU  25          3HD2      LEU  25  -2.128   0.399  -1.690
  179   HD22  LEU  25          1HD2      LEU  25  -1.342   1.745  -2.539
  180   HD23  LEU  25          2HD2      LEU  25  -3.009   1.925  -1.957
  181    H    LYS  26           H        LYS  26  -3.678   4.470   1.658
  182    HA   LYS  26           HA       LYS  26  -1.704   6.408   0.953
  183    HB2  LYS  26           1HB      LYS  26  -4.073   6.650   0.439
  184    HB3  LYS  26           2HB      LYS  26  -4.480   6.768   2.160
  185    HG2  LYS  26           1HG      LYS  26  -3.137   8.824   2.364
  186    HG3  LYS  26           2HG      LYS  26  -2.665   8.716   0.669
  187    HD2  LYS  26           1HD      LYS  26  -5.501   9.064   1.738
  188    HD3  LYS  26           2HD      LYS  26  -4.499  10.368   1.112
  189    HE2  LYS  26           1HE      LYS  26  -5.463   7.967  -0.518
  190    HE3  LYS  26           2HE      LYS  26  -6.247   9.545  -0.481
  191    HZ1  LYS  26           3HZ      LYS  26  -4.207  10.527  -1.381
  192    HZ2  LYS  26           1HZ      LYS  26  -4.779   9.378  -2.385
  193    HZ3  LYS  26           2HZ      LYS  26  -3.480   9.063  -1.452
  194    H    SER  27           H        SER  27  -3.230   5.779   4.130
  195    HA   SER  27           HA       SER  27  -1.772   7.694   5.644
  196    HB2  SER  27           1HB      SER  27  -2.867   4.999   6.545
  197    HB3  SER  27           2HB      SER  27  -2.359   6.324   7.604
  198    HG   SER  27           HG       SER  27  -4.534   6.255   5.776
  199    H    HIS  28           H        HIS  28  -0.780   4.550   4.463
  200    HA   HIS  28           HA       HIS  28   1.695   4.437   6.057
  201    HB2  HIS  28           1HB      HIS  28   0.766   2.333   5.567
  202    HB3  HIS  28           2HB      HIS  28   0.443   2.740   3.888
  203    HD1  HIS  28           1HD      HIS  28   3.533   2.015   6.112
  204    HD2  HIS  28           2HD      HIS  28   2.256   2.202   2.111
  205    HE1  HIS  28           1HE      HIS  28   5.486   1.179   4.726
  206    H    LYS  29           H        LYS  29   0.840   5.201   2.632
  207    HA   LYS  29           HA       LYS  29   3.517   5.635   1.762
  208    HB2  LYS  29           1HB      LYS  29   0.792   6.417   0.712
  209    HB3  LYS  29           2HB      LYS  29   2.254   7.077  -0.040
  210    HG2  LYS  29           1HG      LYS  29   3.161   4.813  -0.362
  211    HG3  LYS  29           2HG      LYS  29   1.696   4.099   0.334
  212    HD2  LYS  29           1HD      LYS  29   0.348   4.864  -1.506
  213    HD3  LYS  29           2HD      LYS  29   1.631   5.956  -2.079
  214    HE2  LYS  29           1HE      LYS  29   3.099   4.011  -2.532
  215    HE3  LYS  29           2HE      LYS  29   1.820   2.909  -2.031
  216    HZ1  LYS  29           3HZ      LYS  29   1.540   4.852  -4.269
  217    HZ2  LYS  29           1HZ      LYS  29   0.490   3.651  -3.898
  218    HZ3  LYS  29           2HZ      LYS  29   1.989   3.305  -4.485
  219    H    LEU  30           H        LEU  30   1.482   7.824   3.568
  220    HA   LEU  30           HA       LEU  30   2.959  10.237   3.245
  221    HB2  LEU  30           1HB      LEU  30   1.552   9.038   5.662
  222    HB3  LEU  30           2HB      LEU  30   2.189  10.677   5.633
  223    HG   LEU  30           HG       LEU  30   0.044   9.665   3.723
  224   HD11  LEU  30          1HD1      LEU  30  -0.192  11.417   6.198
  225   HD12  LEU  30          2HD1      LEU  30  -0.695   9.718   6.086
  226   HD13  LEU  30          3HD1      LEU  30  -1.513  10.945   5.100
  227   HD21  LEU  30          3HD2      LEU  30   1.281  11.554   2.770
  228   HD22  LEU  30          1HD2      LEU  30   1.099  12.467   4.284
  229   HD23  LEU  30          2HD2      LEU  30  -0.323  12.080   3.287
  230    H    LEU  31           H        LEU  31   3.880   7.296   4.934
  231    HA   LEU  31           HA       LEU  31   6.122   8.498   6.380
  232    HB2  LEU  31           1HB      LEU  31   5.569   5.570   5.786
  233    HB3  LEU  31           2HB      LEU  31   6.663   6.212   6.997
  234    HG   LEU  31           HG       LEU  31   3.622   6.512   7.049
  235   HD11  LEU  31          1HD1      LEU  31   4.394   4.210   7.447
  236   HD12  LEU  31          2HD1      LEU  31   3.726   4.937   8.918
  237   HD13  LEU  31          3HD1      LEU  31   5.489   4.788   8.723
  238   HD21  LEU  31          3HD2      LEU  31   4.696   8.409   8.186
  239   HD22  LEU  31          1HD2      LEU  31   5.731   7.295   9.110
  240   HD23  LEU  31          2HD2      LEU  31   3.971   7.315   9.367
  241    H    HIS  32           H        HIS  32   5.680   7.273   3.135
  242    HA   HIS  32           HA       HIS  32   8.592   7.045   2.618
  243    HB2  HIS  32           1HB      HIS  32   6.183   6.773   0.782
  244    HB3  HIS  32           2HB      HIS  32   7.859   6.560   0.298
  245    HD1  HIS  32           1HD      HIS  32   9.048   4.565   2.282
  246    HD2  HIS  32           2HD      HIS  32   5.159   4.422   0.711
  247    HE1  HIS  32           1HE      HIS  32   8.353   2.127   2.382
  248    H    THR  33           H        THR  33   5.843   9.218   1.799
  249    HA   THR  33           HA       THR  33   7.750  11.403   1.240
  250    HB   THR  33           HB       THR  33   7.578  10.288  -0.907
  251    HG1  THR  33           1HG      THR  33   7.003  12.109  -2.060
  252   HG21  THR  33          3HG2      THR  33   5.295   9.296  -0.741
  253   HG22  THR  33          1HG2      THR  33   5.544  10.220  -2.227
  254   HG23  THR  33          2HG2      THR  33   4.597  10.924  -0.902
  255    H    ALA  34           H        ALA  34   7.001  13.406   1.578
  256    HA   ALA  34           HA       ALA  34   4.179  14.059   1.867
  257    HB1  ALA  34           1HB      ALA  34   6.049  14.201   4.281
  258    HB2  ALA  34           2HB      ALA  34   4.397  14.849   4.210
  259    HB3  ALA  34           3HB      ALA  34   4.664  13.101   4.101
  260    H    ASP  35           H        ASP  35   3.867  16.402   2.171
  261    HA   ASP  35           HA       ASP  35   5.812  17.995   0.704
  262    HB2  ASP  35           1HB      ASP  35   3.386  18.275   0.424
  263    HB3  ASP  35           2HB      ASP  35   3.233  18.766   2.114
  264    H    GLY  36           H        GLY  36   7.090  19.680   1.410
  265    HA2  GLY  36           1HA      GLY  36   7.201  20.809   4.036
  266    HA3  GLY  36           2HA      GLY  36   8.384  19.506   3.923
  Start of MODEL    2
    1    H1   GLY   1           1H       GLY   1  10.341  -8.999 -12.558
    2    H2   GLY   1           2H       GLY   1   9.094  -8.050 -13.043
    3    H3   GLY   1           3H       GLY   1   9.199  -9.596 -13.571
    4    HA2  GLY   1           1HA      GLY   1   8.870 -10.451 -11.340
    5    HA3  GLY   1           2HA      GLY   1   8.739  -8.774 -10.779
    6    H    SER   2           H        SER   2   6.631  -9.272  -9.963
    7    HA   SER   2           HA       SER   2   4.469  -8.903 -11.941
    8    HB2  SER   2           1HB      SER   2   4.647 -11.352 -11.736
    9    HB3  SER   2           2HB      SER   2   4.502 -11.228  -9.972
   10    HG   SER   2           HG       SER   2   2.508 -11.707 -11.141
   11    H    SER   3           H        SER   3   2.575  -8.027 -11.059
   12    HA   SER   3           HA       SER   3   2.790  -6.637  -8.471
   13    HB2  SER   3           1HB      SER   3   0.637  -5.631  -9.153
   14    HB3  SER   3           2HB      SER   3   1.916  -5.413 -10.359
   15    HG   SER   3           HG       SER   3  -0.042  -6.080 -11.339
   16    H    GLY   4           H        GLY   4   1.605  -9.686  -9.525
   17    HA2  GLY   4           1HA      GLY   4   0.441 -11.365  -8.452
   18    HA3  GLY   4           2HA      GLY   4   0.837 -10.540  -6.948
   19    H    SER   5           H        SER   5  -1.040 -10.669  -5.839
   20    HA   SER   5           HA       SER   5  -3.664 -10.366  -6.967
   21    HB2  SER   5           1HB      SER   5  -2.861 -10.405  -4.043
   22    HB3  SER   5           2HB      SER   5  -4.469 -10.735  -4.721
   23    HG   SER   5           HG       SER   5  -3.326 -12.672  -4.273
   24    H    SER   6           H        SER   6  -2.104  -7.952  -7.416
   25    HA   SER   6           HA       SER   6  -2.966  -5.786  -5.730
   26    HB2  SER   6           1HB      SER   6  -1.082  -5.671  -7.348
   27    HB3  SER   6           2HB      SER   6  -2.252  -5.720  -8.684
   28    HG   SER   6           HG       SER   6  -1.661  -3.567  -8.116
   29    H    GLY   7           H        GLY   7  -4.636  -4.287  -6.015
   30    HA2  GLY   7           1HA      GLY   7  -6.748  -3.488  -6.631
   31    HA3  GLY   7           2HA      GLY   7  -6.870  -4.730  -7.880
   32    H    LYS   8           H        LYS   8  -6.543  -7.076  -6.393
   33    HA   LYS   8           HA       LYS   8  -8.992  -7.347  -4.788
   34    HB2  LYS   8           1HB      LYS   8  -6.643  -9.264  -5.133
   35    HB3  LYS   8           2HB      LYS   8  -8.193  -9.660  -4.419
   36    HG2  LYS   8           1HG      LYS   8  -7.663  -8.910  -7.328
   37    HG3  LYS   8           2HG      LYS   8  -8.012 -10.513  -6.704
   38    HD2  LYS   8           1HD      LYS   8  -9.949  -8.155  -6.730
   39    HD3  LYS   8           2HD      LYS   8  -9.954  -9.538  -7.829
   40    HE2  LYS   8           1HE      LYS   8 -10.326 -11.071  -5.892
   41    HE3  LYS   8           2HE      LYS   8 -10.395  -9.673  -4.811
   42    HZ1  LYS   8           3HZ      LYS   8 -12.616 -10.378  -5.485
   43    HZ2  LYS   8           1HZ      LYS   8 -12.266 -10.179  -7.064
   44    HZ3  LYS   8           2HZ      LYS   8 -12.332  -8.882  -6.071
   45    H    THR   9           H        THR   9  -5.571  -6.959  -4.160
   46    HA   THR   9           HA       THR   9  -6.137  -6.163  -1.332
   47    HB   THR   9           HB       THR   9  -3.529  -7.406  -2.297
   48    HG1  THR   9           1HG      THR   9  -5.148  -8.957  -2.378
   49   HG21  THR   9          3HG2      THR   9  -3.201  -7.803   0.150
   50   HG22  THR   9          1HG2      THR   9  -4.672  -6.866   0.482
   51   HG23  THR   9          2HG2      THR   9  -3.256  -6.085  -0.261
   52    H    HIS  10           H        HIS  10  -4.990  -4.272  -0.640
   53    HA   HIS  10           HA       HIS  10  -4.105  -2.501  -2.842
   54    HB2  HIS  10           1HB      HIS  10  -4.520  -1.955   0.117
   55    HB3  HIS  10           2HB      HIS  10  -4.135  -0.759  -1.112
   56    HD1  HIS  10           1HD      HIS  10  -6.130  -0.034  -2.773
   57    HD2  HIS  10           2HD      HIS  10  -7.061  -2.941   0.119
   58    HE1  HIS  10           1HE      HIS  10  -8.676  -0.173  -2.693
   59    H    LEU  11           H        LEU  11  -1.972  -1.684  -3.042
   60    HA   LEU  11           HA       LEU  11   0.128  -3.039  -1.404
   61    HB2  LEU  11           1HB      LEU  11  -0.291  -4.473  -3.223
   62    HB3  LEU  11           2HB      LEU  11  -0.399  -3.135  -4.376
   63    HG   LEU  11           HG       LEU  11   2.070  -2.755  -4.118
   64   HD11  LEU  11          1HD1      LEU  11   3.420  -4.575  -3.139
   65   HD12  LEU  11          2HD1      LEU  11   1.947  -5.395  -2.591
   66   HD13  LEU  11          3HD1      LEU  11   2.410  -3.827  -1.898
   67   HD21  LEU  11          3HD2      LEU  11   2.708  -4.714  -5.444
   68   HD22  LEU  11          1HD2      LEU  11   1.131  -4.093  -5.958
   69   HD23  LEU  11          2HD2      LEU  11   1.216  -5.555  -4.946
   70    H    CYS  12           H        CYS  12   1.847  -1.942  -0.913
   71    HA   CYS  12           HA       CYS  12   2.360   0.813  -1.714
   72    HB2  CYS  12           1HB      CYS  12   2.835  -0.077   0.541
   73    HB3  CYS  12           2HB      CYS  12   3.961  -1.248  -0.157
   74    H    ASP  13           H        ASP  13   3.382   1.400  -3.548
   75    HA   ASP  13           HA       ASP  13   4.813  -0.564  -5.196
   76    HB2  ASP  13           1HB      ASP  13   4.871   1.160  -6.869
   77    HB3  ASP  13           2HB      ASP  13   3.249   1.023  -6.212
   78    H    MET  14           H        MET  14   5.747   1.112  -2.532
   79    HA   MET  14           HA       MET  14   8.460   1.894  -3.533
   80    HB2  MET  14           1HB      MET  14   6.752   2.835  -1.214
   81    HB3  MET  14           2HB      MET  14   8.423   3.360  -1.494
   82    HG2  MET  14           1HG      MET  14   7.803   4.146  -3.739
   83    HG3  MET  14           2HG      MET  14   6.122   3.715  -3.464
   84    HE1  MET  14           3HE      MET  14   4.701   6.377  -1.153
   85    HE2  MET  14           1HE      MET  14   4.365   5.218  -2.459
   86    HE3  MET  14           2HE      MET  14   5.043   4.644  -0.922
   87    H    CYS  15           H        CYS  15   6.867   0.060  -0.959
   88    HA   CYS  15           HA       CYS  15   9.435  -1.370  -0.536
   89    HB2  CYS  15           1HB      CYS  15   9.247  -1.445   1.822
   90    HB3  CYS  15           2HB      CYS  15   9.272   0.224   1.282
   91    H    GLY  16           H        GLY  16   6.284  -1.727  -1.459
   92    HA2  GLY  16           1HA      GLY  16   5.382  -3.699  -2.291
   93    HA3  GLY  16           2HA      GLY  16   6.698  -4.603  -1.565
   94    H    LYS  17           H        LYS  17   5.093  -2.756   0.801
   95    HA   LYS  17           HA       LYS  17   3.909  -5.088   2.082
   96    HB2  LYS  17           1HB      LYS  17   3.834  -2.119   2.761
   97    HB3  LYS  17           2HB      LYS  17   3.166  -3.391   3.790
   98    HG2  LYS  17           1HG      LYS  17   5.392  -4.446   3.998
   99    HG3  LYS  17           2HG      LYS  17   6.075  -3.235   2.898
  100    HD2  LYS  17           1HD      LYS  17   5.422  -1.441   4.527
  101    HD3  LYS  17           2HD      LYS  17   4.869  -2.692   5.641
  102    HE2  LYS  17           1HE      LYS  17   7.112  -1.891   6.232
  103    HE3  LYS  17           2HE      LYS  17   7.140  -3.607   5.818
  104    HZ1  LYS  17           3HZ      LYS  17   8.117  -3.092   3.719
  105    HZ2  LYS  17           1HZ      LYS  17   8.960  -2.200   4.800
  106    HZ3  LYS  17           2HZ      LYS  17   7.824  -1.499   3.830
  107    H    LYS  18           H        LYS  18   1.827  -5.568   2.499
  108    HA   LYS  18           HA       LYS  18  -0.186  -4.491   0.573
  109    HB2  LYS  18           1HB      LYS  18   0.375  -7.248   1.656
  110    HB3  LYS  18           2HB      LYS  18  -1.226  -6.841   1.043
  111    HG2  LYS  18           1HG      LYS  18  -0.402  -6.303  -1.144
  112    HG3  LYS  18           2HG      LYS  18   1.280  -6.331  -0.600
  113    HD2  LYS  18           1HD      LYS  18   1.069  -8.763  -0.091
  114    HD3  LYS  18           2HD      LYS  18  -0.593  -8.738  -0.723
  115    HE2  LYS  18           1HE      LYS  18   0.239  -8.035  -2.938
  116    HE3  LYS  18           2HE      LYS  18   1.890  -7.935  -2.310
  117    HZ1  LYS  18           3HZ      LYS  18   1.526 -10.037  -3.464
  118    HZ2  LYS  18           1HZ      LYS  18   0.296 -10.439  -2.464
  119    HZ3  LYS  18           2HZ      LYS  18   1.820 -10.329  -1.889
  120    H    PHE  19           H        PHE  19  -2.224  -4.056   1.148
  121    HA   PHE  19           HA       PHE  19  -2.915  -3.829   4.044
  122    HB2  PHE  19           1HB      PHE  19  -3.009  -1.643   1.933
  123    HB3  PHE  19           2HB      PHE  19  -3.620  -1.486   3.571
  124    HD1  PHE  19           2HD      PHE  19  -2.051  -1.467   5.523
  125    HD2  PHE  19           1HD      PHE  19  -0.607  -1.598   1.466
  126    HE1  PHE  19           2HE      PHE  19   0.210  -0.800   6.306
  127    HE2  PHE  19           1HE      PHE  19   1.650  -0.935   2.249
  128    HZ   PHE  19           HZ       PHE  19   2.067  -0.551   4.672
  129    H    LYS  20           H        LYS  20  -5.086  -3.543   4.562
  130    HA   LYS  20           HA       LYS  20  -6.954  -4.974   2.844
  131    HB2  LYS  20           1HB      LYS  20  -6.716  -5.344   5.288
  132    HB3  LYS  20           2HB      LYS  20  -7.271  -3.704   5.599
  133    HG2  LYS  20           1HG      LYS  20  -9.018  -5.344   6.030
  134    HG3  LYS  20           2HG      LYS  20  -9.497  -4.250   4.741
  135    HD2  LYS  20           1HD      LYS  20  -8.934  -6.022   3.048
  136    HD3  LYS  20           2HD      LYS  20  -8.391  -7.072   4.359
  137    HE2  LYS  20           1HE      LYS  20 -10.586  -7.779   3.743
  138    HE3  LYS  20           2HE      LYS  20 -10.701  -7.010   5.329
  139    HZ1  LYS  20           3HZ      LYS  20 -11.388  -5.698   2.745
  140    HZ2  LYS  20           1HZ      LYS  20 -11.546  -5.008   4.219
  141    HZ3  LYS  20           2HZ      LYS  20 -12.474  -6.285   3.813
  142    H    SER  21           H        SER  21  -6.294  -1.621   3.275
  143    HA   SER  21           HA       SER  21  -8.598  -0.894   1.556
  144    HB2  SER  21           1HB      SER  21  -9.481  -0.553   3.786
  145    HB3  SER  21           2HB      SER  21  -8.040   0.360   4.267
  146    HG   SER  21           HG       SER  21  -9.933   1.636   3.623
  147    H    LYS  22           H        LYS  22  -8.308   0.904   0.324
  148    HA   LYS  22           HA       LYS  22  -5.689   1.925  -0.282
  149    HB2  LYS  22           1HB      LYS  22  -6.925   3.645  -1.602
  150    HB3  LYS  22           2HB      LYS  22  -7.317   1.988  -2.011
  151    HG2  LYS  22           1HG      LYS  22  -9.435   2.124  -0.756
  152    HG3  LYS  22           2HG      LYS  22  -9.038   3.771  -0.240
  153    HD2  LYS  22           1HD      LYS  22  -9.035   4.513  -2.609
  154    HD3  LYS  22           2HD      LYS  22  -9.429   2.857  -3.124
  155    HE2  LYS  22           1HE      LYS  22 -11.531   2.951  -1.798
  156    HE3  LYS  22           2HE      LYS  22 -11.137   4.596  -1.282
  157    HZ1  LYS  22           3HZ      LYS  22 -11.247   5.284  -3.620
  158    HZ2  LYS  22           1HZ      LYS  22 -12.659   4.604  -3.171
  159    HZ3  LYS  22           2HZ      LYS  22 -11.613   3.764  -4.097
  160    H    GLY  23           H        GLY  23  -8.108   2.989   2.063
  161    HA2  GLY  23           1HA      GLY  23  -6.900   5.576   2.623
  162    HA3  GLY  23           2HA      GLY  23  -8.023   4.689   3.656
  163    H    THR  24           H        THR  24  -6.593   2.311   4.133
  164    HA   THR  24           HA       THR  24  -4.637   3.026   6.094
  165    HB   THR  24           HB       THR  24  -4.927   0.320   4.737
  166    HG1  THR  24           1HG      THR  24  -6.382  -0.067   6.500
  167   HG21  THR  24          3HG2      THR  24  -4.080   1.106   7.563
  168   HG22  THR  24          1HG2      THR  24  -2.980   0.571   6.277
  169   HG23  THR  24          2HG2      THR  24  -4.191  -0.550   6.915
  170    H    LEU  25           H        LEU  25  -4.278   1.777   2.734
  171    HA   LEU  25           HA       LEU  25  -1.431   1.796   2.664
  172    HB2  LEU  25           1HB      LEU  25  -2.743   0.603   1.032
  173    HB3  LEU  25           2HB      LEU  25  -3.594   2.070   0.564
  174    HG   LEU  25           HG       LEU  25  -1.484   3.006  -0.377
  175   HD11  LEU  25          1HD1      LEU  25   0.451   1.514  -0.728
  176   HD12  LEU  25          2HD1      LEU  25  -0.341   0.241   0.204
  177   HD13  LEU  25          3HD1      LEU  25   0.171   1.746   0.997
  178   HD21  LEU  25          3HD2      LEU  25  -3.102   1.759  -1.757
  179   HD22  LEU  25          1HD2      LEU  25  -2.185   0.263  -1.442
  180   HD23  LEU  25          2HD2      LEU  25  -1.441   1.586  -2.351
  181    H    LYS  26           H        LYS  26  -3.776   4.441   1.820
  182    HA   LYS  26           HA       LYS  26  -1.858   6.354   0.993
  183    HB2  LYS  26           1HB      LYS  26  -4.292   6.613   0.710
  184    HB3  LYS  26           2HB      LYS  26  -4.510   6.743   2.459
  185    HG2  LYS  26           1HG      LYS  26  -3.132   8.838   2.458
  186    HG3  LYS  26           2HG      LYS  26  -2.940   8.671   0.710
  187    HD2  LYS  26           1HD      LYS  26  -4.677  10.273   1.075
  188    HD3  LYS  26           2HD      LYS  26  -5.473   8.796   0.505
  189    HE2  LYS  26           1HE      LYS  26  -6.065   8.209   2.845
  190    HE3  LYS  26           2HE      LYS  26  -5.212   9.642   3.430
  191    HZ1  LYS  26           3HZ      LYS  26  -6.807  11.016   2.201
  192    HZ2  LYS  26           1HZ      LYS  26  -7.600  10.047   3.244
  193    HZ3  LYS  26           2HZ      LYS  26  -7.596   9.693   1.651
  194    H    SER  27           H        SER  27  -3.153   5.823   4.303
  195    HA   SER  27           HA       SER  27  -1.477   7.649   5.676
  196    HB2  SER  27           1HB      SER  27  -2.693   5.034   6.628
  197    HB3  SER  27           2HB      SER  27  -1.955   6.259   7.679
  198    HG   SER  27           HG       SER  27  -4.238   6.521   7.500
  199    H    HIS  28           H        HIS  28  -0.583   4.583   4.278
  200    HA   HIS  28           HA       HIS  28   1.989   4.455   5.750
  201    HB2  HIS  28           1HB      HIS  28   0.889   2.357   5.341
  202    HB3  HIS  28           2HB      HIS  28   0.706   2.708   3.625
  203    HD1  HIS  28           1HD      HIS  28   3.544   1.915   6.126
  204    HD2  HIS  28           2HD      HIS  28   2.666   2.108   2.019
  205    HE1  HIS  28           1HE      HIS  28   5.577   0.963   4.940
  206    H    LYS  29           H        LYS  29   0.826   5.168   2.406
  207    HA   LYS  29           HA       LYS  29   3.424   5.672   1.288
  208    HB2  LYS  29           1HB      LYS  29   0.648   6.607   0.477
  209    HB3  LYS  29           2HB      LYS  29   2.117   6.937  -0.458
  210    HG2  LYS  29           1HG      LYS  29   2.537   4.400  -0.457
  211    HG3  LYS  29           2HG      LYS  29   0.884   4.221   0.140
  212    HD2  LYS  29           1HD      LYS  29   0.069   5.496  -1.881
  213    HD3  LYS  29           2HD      LYS  29   1.749   5.570  -2.448
  214    HE2  LYS  29           1HE      LYS  29   1.730   2.971  -2.188
  215    HE3  LYS  29           2HE      LYS  29  -0.029   3.143  -2.095
  216    HZ1  LYS  29           3HZ      LYS  29   1.754   3.788  -4.362
  217    HZ2  LYS  29           1HZ      LYS  29   0.203   4.364  -4.311
  218    HZ3  LYS  29           2HZ      LYS  29   0.504   2.755  -4.354
  219    H    LEU  30           H        LEU  30   1.280   7.827   3.086
  220    HA   LEU  30           HA       LEU  30   2.720  10.260   2.748
  221    HB2  LEU  30           1HB      LEU  30   1.116   9.104   5.055
  222    HB3  LEU  30           2HB      LEU  30   1.786  10.731   5.104
  223    HG   LEU  30           HG       LEU  30  -0.155   9.796   2.946
  224   HD11  LEU  30          1HD1      LEU  30  -1.157   9.784   5.202
  225   HD12  LEU  30          2HD1      LEU  30  -1.831  11.078   4.195
  226   HD13  LEU  30          3HD1      LEU  30  -0.625  11.458   5.453
  227   HD21  LEU  30          3HD2      LEU  30  -0.441  12.233   2.565
  228   HD22  LEU  30          1HD2      LEU  30   1.200  11.694   2.201
  229   HD23  LEU  30          2HD2      LEU  30   0.873  12.557   3.719
  230    H    LEU  31           H        LEU  31   3.616   7.437   4.621
  231    HA   LEU  31           HA       LEU  31   5.698   8.791   6.167
  232    HB2  LEU  31           1HB      LEU  31   5.384   5.814   5.673
  233    HB3  LEU  31           2HB      LEU  31   6.296   6.590   6.953
  234    HG   LEU  31           HG       LEU  31   3.261   6.645   6.674
  235   HD11  LEU  31          1HD1      LEU  31   3.276   5.171   8.626
  236   HD12  LEU  31          2HD1      LEU  31   5.056   5.168   8.637
  237   HD13  LEU  31          3HD1      LEU  31   4.166   4.436   7.282
  238   HD21  LEU  31          3HD2      LEU  31   4.054   8.679   7.809
  239   HD22  LEU  31          1HD2      LEU  31   5.059   7.697   8.901
  240   HD23  LEU  31          2HD2      LEU  31   3.284   7.587   8.965
  241    H    HIS  32           H        HIS  32   5.594   7.386   2.959
  242    HA   HIS  32           HA       HIS  32   8.515   7.049   2.749
  243    HB2  HIS  32           1HB      HIS  32   6.205   6.756   0.804
  244    HB3  HIS  32           2HB      HIS  32   7.885   6.678   0.298
  245    HD1  HIS  32           1HD      HIS  32   9.394   4.656   1.470
  246    HD2  HIS  32           2HD      HIS  32   5.202   4.447   1.596
  247    HE1  HIS  32           1HE      HIS  32   8.838   2.216   1.867
  248    H    THR  33           H        THR  33   6.103   9.477   1.726
  249    HA   THR  33           HA       THR  33   7.997  10.946   0.081
  250    HB   THR  33           HB       THR  33   5.684  10.992  -0.514
  251    HG1  THR  33           1HG      THR  33   5.573  13.140  -0.898
  252   HG21  THR  33          3HG2      THR  33   5.166  12.518   2.077
  253   HG22  THR  33          1HG2      THR  33   4.576  10.889   1.669
  254   HG23  THR  33          2HG2      THR  33   4.010  12.285   0.746
  255    H    ALA  34           H        ALA  34   8.817  13.020   0.377
  256    HA   ALA  34           HA       ALA  34   9.586  13.736   3.135
  257    HB1  ALA  34           1HB      ALA  34  10.355  14.926   0.437
  258    HB2  ALA  34           2HB      ALA  34  11.089  15.317   2.007
  259    HB3  ALA  34           3HB      ALA  34  11.272  13.688   1.330
  260    H    ASP  35           H        ASP  35   6.948  14.469   1.112
  261    HA   ASP  35           HA       ASP  35   6.619  17.273   1.657
  262    HB2  ASP  35           1HB      ASP  35   5.598  16.095  -0.255
  263    HB3  ASP  35           2HB      ASP  35   4.591  15.159   0.853
  264    H    GLY  36           H        GLY  36   5.392  18.370   3.143
  265    HA2  GLY  36           1HA      GLY  36   3.617  17.283   5.104
  266    HA3  GLY  36           2HA      GLY  36   5.225  17.441   5.811
  Start of MODEL    3
    1    H1   GLY   1           1H       GLY   1  -8.953  -8.671 -25.964
    2    H2   GLY   1           2H       GLY   1 -10.456  -9.137 -25.505
    3    H3   GLY   1           3H       GLY   1  -9.168 -10.092 -25.177
    4    HA2  GLY   1           1HA      GLY   1  -8.247  -8.457 -23.678
    5    HA3  GLY   1           2HA      GLY   1  -9.633  -7.412 -24.036
    6    H    SER   2           H        SER   2  -9.030  -8.100 -21.446
    7    HA   SER   2           HA       SER   2 -11.275  -9.897 -20.618
    8    HB2  SER   2           1HB      SER   2  -8.470  -9.873 -19.441
    9    HB3  SER   2           2HB      SER   2  -9.855 -10.794 -18.823
   10    HG   SER   2           HG       SER   2  -8.490 -12.061 -20.180
   11    H    SER   3           H        SER   3 -12.221  -9.450 -18.601
   12    HA   SER   3           HA       SER   3 -12.195  -6.620 -17.870
   13    HB2  SER   3           1HB      SER   3 -14.199  -7.256 -16.546
   14    HB3  SER   3           2HB      SER   3 -14.298  -7.691 -18.261
   15    HG   SER   3           HG       SER   3 -14.984  -9.404 -16.874
   16    H    GLY   4           H        GLY   4 -10.480  -9.271 -16.632
   17    HA2  GLY   4           1HA      GLY   4  -9.043  -9.395 -14.802
   18    HA3  GLY   4           2HA      GLY   4  -9.524  -7.770 -14.335
   19    H    SER   5           H        SER   5  -9.702  -8.251 -12.149
   20    HA   SER   5           HA       SER   5 -12.154  -9.662 -11.281
   21    HB2  SER   5           1HB      SER   5 -10.419 -11.400 -11.203
   22    HB3  SER   5           2HB      SER   5  -9.383 -10.348 -10.220
   23    HG   SER   5           HG       SER   5 -10.676 -11.923  -9.031
   24    H    SER   6           H        SER   6 -12.944  -8.993  -9.303
   25    HA   SER   6           HA       SER   6 -11.982  -6.422  -8.216
   26    HB2  SER   6           1HB      SER   6 -14.364  -8.136  -7.423
   27    HB3  SER   6           2HB      SER   6 -14.022  -6.486  -6.868
   28    HG   SER   6           HG       SER   6 -15.515  -6.530  -8.622
   29    H    GLY   7           H        GLY   7 -11.252  -9.666  -7.585
   30    HA2  GLY   7           1HA      GLY   7 -11.104  -9.659  -4.694
   31    HA3  GLY   7           2HA      GLY   7 -10.446 -10.869  -5.794
   32    H    LYS   8           H        LYS   8  -9.721  -7.393  -5.411
   33    HA   LYS   8           HA       LYS   8  -6.808  -7.933  -5.561
   34    HB2  LYS   8           1HB      LYS   8  -8.428  -5.361  -5.769
   35    HB3  LYS   8           2HB      LYS   8  -6.673  -5.469  -5.945
   36    HG2  LYS   8           1HG      LYS   8  -6.930  -6.955  -7.907
   37    HG3  LYS   8           2HG      LYS   8  -8.681  -6.931  -7.716
   38    HD2  LYS   8           1HD      LYS   8  -8.098  -5.412  -9.491
   39    HD3  LYS   8           2HD      LYS   8  -8.746  -4.511  -8.127
   40    HE2  LYS   8           1HE      LYS   8  -6.907  -3.264  -9.003
   41    HE3  LYS   8           2HE      LYS   8  -6.409  -3.904  -7.438
   42    HZ1  LYS   8           3HZ      LYS   8  -5.678  -5.070 -10.078
   43    HZ2  LYS   8           1HZ      LYS   8  -5.184  -5.657  -8.635
   44    HZ3  LYS   8           2HZ      LYS   8  -4.683  -4.189  -9.135
   45    H    THR   9           H        THR   9  -5.306  -6.749  -4.302
   46    HA   THR   9           HA       THR   9  -6.143  -5.955  -1.536
   47    HB   THR   9           HB       THR   9  -3.545  -7.366  -2.266
   48    HG1  THR   9           1HG      THR   9  -4.457  -9.137  -1.229
   49   HG21  THR   9          3HG2      THR   9  -4.813  -6.680   0.427
   50   HG22  THR   9          1HG2      THR   9  -3.322  -5.983  -0.249
   51   HG23  THR   9          2HG2      THR   9  -3.367  -7.689   0.200
   52    H    HIS  10           H        HIS  10  -5.111  -4.078  -0.728
   53    HA   HIS  10           HA       HIS  10  -4.025  -2.281  -2.774
   54    HB2  HIS  10           1HB      HIS  10  -4.563  -1.928   0.198
   55    HB3  HIS  10           2HB      HIS  10  -3.960  -0.670  -0.858
   56    HD1  HIS  10           1HD      HIS  10  -5.683   0.317  -2.707
   57    HD2  HIS  10           2HD      HIS  10  -7.186  -2.595  -0.067
   58    HE1  HIS  10           1HE      HIS  10  -8.216   0.392  -2.931
   59    H    LEU  11           H        LEU  11  -1.892  -1.691  -3.056
   60    HA   LEU  11           HA       LEU  11   0.175  -3.040  -1.372
   61    HB2  LEU  11           1HB      LEU  11  -0.283  -4.523  -3.145
   62    HB3  LEU  11           2HB      LEU  11  -0.366  -3.222  -4.338
   63    HG   LEU  11           HG       LEU  11   2.105  -2.888  -4.118
   64   HD11  LEU  11          1HD1      LEU  11   2.439  -3.870  -1.846
   65   HD12  LEU  11          2HD1      LEU  11   3.447  -4.655  -3.064
   66   HD13  LEU  11          3HD1      LEU  11   1.979  -5.461  -2.484
   67   HD21  LEU  11          3HD2      LEU  11   2.698  -4.935  -5.350
   68   HD22  LEU  11          1HD2      LEU  11   1.136  -4.297  -5.890
   69   HD23  LEU  11          2HD2      LEU  11   1.190  -5.709  -4.811
   70    H    CYS  12           H        CYS  12   1.906  -1.949  -0.921
   71    HA   CYS  12           HA       CYS  12   2.450   0.750  -1.926
   72    HB2  CYS  12           1HB      CYS  12   2.826   0.016   0.436
   73    HB3  CYS  12           2HB      CYS  12   4.047  -1.126  -0.142
   74    H    ASP  13           H        ASP  13   3.398   1.020  -3.897
   75    HA   ASP  13           HA       ASP  13   5.003  -1.081  -5.152
   76    HB2  ASP  13           1HB      ASP  13   5.110   0.434  -7.049
   77    HB3  ASP  13           2HB      ASP  13   3.461   0.218  -6.485
   78    H    MET  14           H        MET  14   5.795   1.006  -2.733
   79    HA   MET  14           HA       MET  14   8.528   1.674  -3.732
   80    HB2  MET  14           1HB      MET  14   6.846   2.706  -1.433
   81    HB3  MET  14           2HB      MET  14   8.521   3.191  -1.733
   82    HG2  MET  14           1HG      MET  14   7.911   3.930  -3.999
   83    HG3  MET  14           2HG      MET  14   6.220   3.537  -3.703
   84    HE1  MET  14           3HE      MET  14   4.871   6.269  -1.445
   85    HE2  MET  14           1HE      MET  14   4.506   5.136  -2.762
   86    HE3  MET  14           2HE      MET  14   5.158   4.525  -1.226
   87    H    CYS  15           H        CYS  15   6.931  -0.034  -1.068
   88    HA   CYS  15           HA       CYS  15   9.529  -1.376  -0.479
   89    HB2  CYS  15           1HB      CYS  15   9.146  -1.371   1.871
   90    HB3  CYS  15           2HB      CYS  15   9.176   0.275   1.252
   91    H    GLY  16           H        GLY  16   6.293  -1.850  -1.366
   92    HA2  GLY  16           1HA      GLY  16   5.503  -3.893  -2.194
   93    HA3  GLY  16           2HA      GLY  16   6.788  -4.747  -1.363
   94    H    LYS  17           H        LYS  17   5.199  -2.788   0.890
   95    HA   LYS  17           HA       LYS  17   3.907  -5.025   2.219
   96    HB2  LYS  17           1HB      LYS  17   3.927  -2.024   2.763
   97    HB3  LYS  17           2HB      LYS  17   3.114  -3.204   3.797
   98    HG2  LYS  17           1HG      LYS  17   5.275  -4.411   4.120
   99    HG3  LYS  17           2HG      LYS  17   6.096  -3.184   3.138
  100    HD2  LYS  17           1HD      LYS  17   5.416  -1.435   4.776
  101    HD3  LYS  17           2HD      LYS  17   4.633  -2.688   5.769
  102    HE2  LYS  17           1HE      LYS  17   6.828  -3.875   5.944
  103    HE3  LYS  17           2HE      LYS  17   7.589  -2.590   5.000
  104    HZ1  LYS  17           3HZ      LYS  17   7.895  -2.254   7.387
  105    HZ2  LYS  17           1HZ      LYS  17   6.286  -2.212   7.647
  106    HZ3  LYS  17           2HZ      LYS  17   7.010  -1.028   6.778
  107    H    LYS  18           H        LYS  18   1.856  -5.539   2.533
  108    HA   LYS  18           HA       LYS  18  -0.166  -4.424   0.647
  109    HB2  LYS  18           1HB      LYS  18   0.345  -7.186   1.753
  110    HB3  LYS  18           2HB      LYS  18  -1.250  -6.743   1.146
  111    HG2  LYS  18           1HG      LYS  18  -0.411  -6.221  -1.048
  112    HG3  LYS  18           2HG      LYS  18   1.270  -6.356  -0.509
  113    HD2  LYS  18           1HD      LYS  18   0.943  -8.756  -0.022
  114    HD3  LYS  18           2HD      LYS  18  -0.744  -8.643  -0.577
  115    HE2  LYS  18           1HE      LYS  18   0.048  -7.937  -2.826
  116    HE3  LYS  18           2HE      LYS  18   1.725  -8.028  -2.271
  117    HZ1  LYS  18           3HZ      LYS  18   1.076 -10.049  -3.451
  118    HZ2  LYS  18           1HZ      LYS  18  -0.145 -10.337  -2.410
  119    HZ3  LYS  18           2HZ      LYS  18   1.405 -10.416  -1.897
  120    H    PHE  19           H        PHE  19  -2.189  -3.997   1.215
  121    HA   PHE  19           HA       PHE  19  -2.903  -3.711   4.098
  122    HB2  PHE  19           1HB      PHE  19  -2.949  -1.567   1.938
  123    HB3  PHE  19           2HB      PHE  19  -3.542  -1.354   3.572
  124    HD1  PHE  19           2HD      PHE  19  -1.884  -1.598   5.534
  125    HD2  PHE  19           1HD      PHE  19  -0.614  -1.357   1.426
  126    HE1  PHE  19           2HE      PHE  19   0.408  -1.000   6.279
  127    HE2  PHE  19           1HE      PHE  19   1.676  -0.772   2.170
  128    HZ   PHE  19           HZ       PHE  19   2.195  -0.598   4.596
  129    H    LYS  20           H        LYS  20  -5.118  -3.419   4.555
  130    HA   LYS  20           HA       LYS  20  -6.890  -4.849   2.697
  131    HB2  LYS  20           1HB      LYS  20  -8.386  -5.068   4.571
  132    HB3  LYS  20           2HB      LYS  20  -6.746  -5.512   5.034
  133    HG2  LYS  20           1HG      LYS  20  -6.455  -3.332   6.186
  134    HG3  LYS  20           2HG      LYS  20  -8.049  -2.812   5.631
  135    HD2  LYS  20           1HD      LYS  20  -8.202  -3.486   7.936
  136    HD3  LYS  20           2HD      LYS  20  -9.111  -4.630   6.937
  137    HE2  LYS  20           1HE      LYS  20  -7.210  -6.232   7.041
  138    HE3  LYS  20           2HE      LYS  20  -6.280  -5.071   8.001
  139    HZ1  LYS  20           3HZ      LYS  20  -7.370  -6.723   9.410
  140    HZ2  LYS  20           1HZ      LYS  20  -8.846  -6.316   8.845
  141    HZ3  LYS  20           2HZ      LYS  20  -7.985  -5.248   9.736
  142    H    SER  21           H        SER  21  -6.311  -1.564   3.116
  143    HA   SER  21           HA       SER  21  -8.746  -0.835   1.617
  144    HB2  SER  21           1HB      SER  21  -9.496  -0.643   3.935
  145    HB3  SER  21           2HB      SER  21  -8.086   0.349   4.342
  146    HG   SER  21           HG       SER  21 -10.069   1.536   3.881
  147    H    LYS  22           H        LYS  22  -8.607   1.142   0.555
  148    HA   LYS  22           HA       LYS  22  -6.024   2.071  -0.283
  149    HB2  LYS  22           1HB      LYS  22  -8.428   2.247  -1.403
  150    HB3  LYS  22           2HB      LYS  22  -8.521   3.768  -0.505
  151    HG2  LYS  22           1HG      LYS  22  -6.309   4.419  -1.575
  152    HG3  LYS  22           2HG      LYS  22  -6.416   2.966  -2.568
  153    HD2  LYS  22           1HD      LYS  22  -8.433   5.259  -2.526
  154    HD3  LYS  22           2HD      LYS  22  -7.177   5.012  -3.745
  155    HE2  LYS  22           1HE      LYS  22  -8.204   2.829  -4.364
  156    HE3  LYS  22           2HE      LYS  22  -9.482   3.094  -3.170
  157    HZ1  LYS  22           3HZ      LYS  22 -10.145   5.081  -4.418
  158    HZ2  LYS  22           1HZ      LYS  22 -10.195   3.770  -5.387
  159    HZ3  LYS  22           2HZ      LYS  22  -8.967   4.833  -5.524
  160    H    GLY  23           H        GLY  23  -8.250   3.209   2.237
  161    HA2  GLY  23           1HA      GLY  23  -6.893   5.668   2.898
  162    HA3  GLY  23           2HA      GLY  23  -7.981   4.746   3.946
  163    H    THR  24           H        THR  24  -6.524   2.300   4.092
  164    HA   THR  24           HA       THR  24  -4.487   2.889   6.037
  165    HB   THR  24           HB       THR  24  -4.926   0.245   4.605
  166    HG1  THR  24           1HG      THR  24  -6.302  -0.151   6.439
  167   HG21  THR  24          3HG2      THR  24  -3.958   0.900   7.427
  168   HG22  THR  24          1HG2      THR  24  -2.906   0.425   6.082
  169   HG23  THR  24          2HG2      THR  24  -4.105  -0.721   6.703
  170    H    LEU  25           H        LEU  25  -4.302   1.735   2.608
  171    HA   LEU  25           HA       LEU  25  -1.455   1.714   2.433
  172    HB2  LEU  25           1HB      LEU  25  -2.828   0.610   0.796
  173    HB3  LEU  25           2HB      LEU  25  -3.703   2.093   0.435
  174    HG   LEU  25           HG       LEU  25  -1.597   3.075  -0.533
  175   HD11  LEU  25          1HD1      LEU  25   0.270   1.535  -1.066
  176   HD12  LEU  25          2HD1      LEU  25  -0.517   0.253  -0.134
  177   HD13  LEU  25          3HD1      LEU  25   0.080   1.715   0.681
  178   HD21  LEU  25          3HD2      LEU  25  -2.320   0.430  -1.806
  179   HD22  LEU  25          1HD2      LEU  25  -1.688   1.881  -2.596
  180   HD23  LEU  25          2HD2      LEU  25  -3.323   1.900  -1.901
  181    H    LYS  26           H        LYS  26  -3.801   4.387   1.786
  182    HA   LYS  26           HA       LYS  26  -1.879   6.350   1.024
  183    HB2  LYS  26           1HB      LYS  26  -4.286   6.562   0.642
  184    HB3  LYS  26           2HB      LYS  26  -4.594   6.658   2.381
  185    HG2  LYS  26           1HG      LYS  26  -3.270   8.730   2.538
  186    HG3  LYS  26           2HG      LYS  26  -2.879   8.645   0.822
  187    HD2  LYS  26           1HD      LYS  26  -5.669   8.940   2.022
  188    HD3  LYS  26           2HD      LYS  26  -4.711  10.270   1.381
  189    HE2  LYS  26           1HE      LYS  26  -5.707   7.888  -0.255
  190    HE3  LYS  26           2HE      LYS  26  -6.515   9.451  -0.151
  191    HZ1  LYS  26           3HZ      LYS  26  -4.533  10.487  -1.113
  192    HZ2  LYS  26           1HZ      LYS  26  -5.127   9.352  -2.118
  193    HZ3  LYS  26           2HZ      LYS  26  -3.783   9.038  -1.248
  194    H    SER  27           H        SER  27  -3.216   5.637   4.260
  195    HA   SER  27           HA       SER  27  -1.681   7.501   5.756
  196    HB2  SER  27           1HB      SER  27  -2.685   4.757   6.608
  197    HB3  SER  27           2HB      SER  27  -2.113   6.038   7.688
  198    HG   SER  27           HG       SER  27  -4.405   6.042   6.006
  199    H    HIS  28           H        HIS  28  -0.698   4.446   4.350
  200    HA   HIS  28           HA       HIS  28   1.888   4.383   5.778
  201    HB2  HIS  28           1HB      HIS  28   0.882   2.262   5.339
  202    HB3  HIS  28           2HB      HIS  28   0.622   2.641   3.640
  203    HD1  HIS  28           1HD      HIS  28   3.584   1.949   6.028
  204    HD2  HIS  28           2HD      HIS  28   2.573   2.180   1.953
  205    HE1  HIS  28           1HE      HIS  28   5.645   1.185   4.762
  206    H    LYS  29           H        LYS  29   0.743   5.090   2.427
  207    HA   LYS  29           HA       LYS  29   3.336   5.614   1.348
  208    HB2  LYS  29           1HB      LYS  29   0.520   6.345   0.485
  209    HB3  LYS  29           2HB      LYS  29   1.941   6.939  -0.388
  210    HG2  LYS  29           1HG      LYS  29   2.764   4.581  -0.591
  211    HG3  LYS  29           2HG      LYS  29   1.232   4.010   0.080
  212    HD2  LYS  29           1HD      LYS  29  -0.007   4.841  -1.813
  213    HD3  LYS  29           2HD      LYS  29   1.363   5.834  -2.357
  214    HE2  LYS  29           1HE      LYS  29   2.703   3.749  -2.700
  215    HE3  LYS  29           2HE      LYS  29   1.271   2.788  -2.333
  216    HZ1  LYS  29           3HZ      LYS  29   0.220   3.627  -4.304
  217    HZ2  LYS  29           1HZ      LYS  29   1.768   3.255  -4.750
  218    HZ3  LYS  29           2HZ      LYS  29   1.345   4.803  -4.516
  219    H    LEU  30           H        LEU  30   1.249   7.776   3.173
  220    HA   LEU  30           HA       LEU  30   2.662  10.212   2.752
  221    HB2  LEU  30           1HB      LEU  30   1.236   9.038   5.170
  222    HB3  LEU  30           2HB      LEU  30   1.897  10.668   5.174
  223    HG   LEU  30           HG       LEU  30  -0.191   9.730   3.162
  224   HD11  LEU  30          1HD1      LEU  30  -1.038   9.687   5.484
  225   HD12  LEU  30          2HD1      LEU  30  -1.792  10.979   4.535
  226   HD13  LEU  30          3HD1      LEU  30  -0.510  11.366   5.710
  227   HD21  LEU  30          3HD2      LEU  30  -0.527  12.164   2.821
  228   HD22  LEU  30          1HD2      LEU  30   1.093  11.647   2.345
  229   HD23  LEU  30          2HD2      LEU  30   0.855  12.495   3.890
  230    H    LEU  31           H        LEU  31   3.674   7.379   4.575
  231    HA   LEU  31           HA       LEU  31   5.815   8.728   6.026
  232    HB2  LEU  31           1HB      LEU  31   5.463   5.755   5.520
  233    HB3  LEU  31           2HB      LEU  31   6.440   6.509   6.764
  234    HG   LEU  31           HG       LEU  31   3.391   6.608   6.630
  235   HD11  LEU  31          1HD1      LEU  31   3.479   5.109   8.559
  236   HD12  LEU  31          2HD1      LEU  31   5.257   5.075   8.479
  237   HD13  LEU  31          3HD1      LEU  31   4.286   4.379   7.162
  238   HD21  LEU  31          3HD2      LEU  31   4.271   8.614   7.751
  239   HD22  LEU  31          1HD2      LEU  31   5.314   7.602   8.778
  240   HD23  LEU  31          2HD2      LEU  31   3.543   7.517   8.928
  241    H    HIS  32           H        HIS  32   5.584   7.520   2.786
  242    HA   HIS  32           HA       HIS  32   8.511   7.221   2.446
  243    HB2  HIS  32           1HB      HIS  32   6.134   6.811   0.605
  244    HB3  HIS  32           2HB      HIS  32   7.796   6.734   0.050
  245    HD1  HIS  32           1HD      HIS  32   9.368   4.783   1.362
  246    HD2  HIS  32           2HD      HIS  32   5.185   4.480   1.297
  247    HE1  HIS  32           1HE      HIS  32   8.850   2.330   1.743
  248    H    THR  33           H        THR  33   6.559   9.908   2.611
  249    HA   THR  33           HA       THR  33   8.247  11.471   0.714
  250    HB   THR  33           HB       THR  33   6.148  10.816  -0.407
  251    HG1  THR  33           1HG      THR  33   5.741  12.871  -1.153
  252   HG21  THR  33          3HG2      THR  33   4.572  10.841   1.490
  253   HG22  THR  33          1HG2      THR  33   4.032  11.901   0.183
  254   HG23  THR  33          2HG2      THR  33   4.763  12.602   1.644
  255    H    ALA  34           H        ALA  34   7.898  13.858   0.975
  256    HA   ALA  34           HA       ALA  34   7.263  14.820   3.668
  257    HB1  ALA  34           1HB      ALA  34   9.576  13.967   3.954
  258    HB2  ALA  34           2HB      ALA  34  10.117  14.962   2.584
  259    HB3  ALA  34           3HB      ALA  34   9.528  15.733   4.073
  260    H    ASP  35           H        ASP  35   7.302  17.157   3.821
  261    HA   ASP  35           HA       ASP  35   6.414  18.469   1.380
  262    HB2  ASP  35           1HB      ASP  35   6.814  19.475   4.223
  263    HB3  ASP  35           2HB      ASP  35   6.089  20.417   2.923
  264    H    GLY  36           H        GLY  36   9.510  18.188   2.830
  265    HA2  GLY  36           1HA      GLY  36  11.597  18.991   2.200
  266    HA3  GLY  36           2HA      GLY  36  10.843  19.834   0.847
  Start of MODEL    4
    1    H1   GLY   1           1H       GLY   1   7.507 -16.817 -12.010
    2    H2   GLY   1           2H       GLY   1   7.672 -17.898 -10.790
    3    H3   GLY   1           3H       GLY   1   8.796 -16.725 -11.004
    4    HA2  GLY   1           1HA      GLY   1   5.986 -16.294 -10.211
    5    HA3  GLY   1           2HA      GLY   1   7.392 -16.171  -9.136
    6    H    SER   2           H        SER   2   6.989 -14.003  -8.637
    7    HA   SER   2           HA       SER   2   7.030 -11.746  -8.808
    8    HB2  SER   2           1HB      SER   2   9.272 -12.331 -10.762
    9    HB3  SER   2           2HB      SER   2   9.041 -10.840  -9.827
   10    HG   SER   2           HG       SER   2  10.528 -12.277  -8.819
   11    H    SER   3           H        SER   3   5.000 -12.744 -10.512
   12    HA   SER   3           HA       SER   3   4.842 -10.658 -12.651
   13    HB2  SER   3           1HB      SER   3   4.137 -13.604 -12.963
   14    HB3  SER   3           2HB      SER   3   3.863 -12.335 -14.164
   15    HG   SER   3           HG       SER   3   6.364 -13.269 -13.163
   16    H    GLY   4           H        GLY   4   2.736 -10.086 -13.326
   17    HA2  GLY   4           1HA      GLY   4   0.445  -9.772 -13.182
   18    HA3  GLY   4           2HA      GLY   4   0.327 -11.117 -12.057
   19    H    SER   5           H        SER   5  -1.335  -9.413 -11.347
   20    HA   SER   5           HA       SER   5  -0.335  -7.985  -8.967
   21    HB2  SER   5           1HB      SER   5  -1.474  -5.894  -9.572
   22    HB3  SER   5           2HB      SER   5  -0.186  -6.283 -10.719
   23    HG   SER   5           HG       SER   5  -2.103  -5.622 -11.788
   24    H    SER   6           H        SER   6  -2.156  -7.157  -7.612
   25    HA   SER   6           HA       SER   6  -4.481  -9.032  -7.683
   26    HB2  SER   6           1HB      SER   6  -3.113  -9.182  -5.686
   27    HB3  SER   6           2HB      SER   6  -3.334  -7.448  -5.369
   28    HG   SER   6           HG       SER   6  -4.825  -9.237  -4.420
   29    H    GLY   7           H        GLY   7  -6.493  -8.358  -7.862
   30    HA2  GLY   7           1HA      GLY   7  -7.176  -5.462  -8.022
   31    HA3  GLY   7           2HA      GLY   7  -8.190  -6.824  -8.504
   32    H    LYS   8           H        LYS   8  -6.976  -7.754  -5.575
   33    HA   LYS   8           HA       LYS   8  -9.336  -6.681  -4.063
   34    HB2  LYS   8           1HB      LYS   8  -9.675  -8.902  -3.132
   35    HB3  LYS   8           2HB      LYS   8  -9.779  -8.919  -4.893
   36    HG2  LYS   8           1HG      LYS   8  -7.512  -9.867  -5.041
   37    HG3  LYS   8           2HG      LYS   8  -7.373  -9.831  -3.268
   38    HD2  LYS   8           1HD      LYS   8  -9.307 -11.364  -3.075
   39    HD3  LYS   8           2HD      LYS   8  -9.494 -11.365  -4.848
   40    HE2  LYS   8           1HE      LYS   8  -7.198 -12.241  -5.083
   41    HE3  LYS   8           2HE      LYS   8  -7.019 -12.257  -3.321
   42    HZ1  LYS   8           3HZ      LYS   8  -7.638 -14.458  -4.168
   43    HZ2  LYS   8           1HZ      LYS   8  -8.999 -13.873  -4.848
   44    HZ3  LYS   8           2HZ      LYS   8  -8.837 -13.887  -3.221
   45    H    THR   9           H        THR   9  -5.981  -6.842  -3.941
   46    HA   THR   9           HA       THR   9  -6.051  -6.053  -1.051
   47    HB   THR   9           HB       THR   9  -3.656  -7.401  -2.345
   48    HG1  THR   9           1HG      THR   9  -5.394  -8.868  -2.198
   49   HG21  THR   9          3HG2      THR   9  -3.049  -7.807   0.043
   50   HG22  THR   9          1HG2      THR   9  -4.432  -6.815   0.548
   51   HG23  THR   9          2HG2      THR   9  -3.093  -6.086  -0.368
   52    H    HIS  10           H        HIS  10  -4.952  -4.182  -0.530
   53    HA   HIS  10           HA       HIS  10  -4.096  -2.476  -2.795
   54    HB2  HIS  10           1HB      HIS  10  -4.512  -1.855   0.150
   55    HB3  HIS  10           2HB      HIS  10  -4.113  -0.688  -1.102
   56    HD1  HIS  10           1HD      HIS  10  -6.104   0.057  -2.744
   57    HD2  HIS  10           2HD      HIS  10  -7.052  -2.900   0.094
   58    HE1  HIS  10           1HE      HIS  10  -8.649  -0.120  -2.717
   59    H    LEU  11           H        LEU  11  -1.965  -1.768  -3.088
   60    HA   LEU  11           HA       LEU  11   0.126  -3.080  -1.396
   61    HB2  LEU  11           1HB      LEU  11  -0.323  -4.535  -3.201
   62    HB3  LEU  11           2HB      LEU  11  -0.381  -3.209  -4.369
   63    HG   LEU  11           HG       LEU  11   2.088  -2.874  -4.073
   64   HD11  LEU  11          1HD1      LEU  11   1.913  -5.507  -2.542
   65   HD12  LEU  11          2HD1      LEU  11   2.369  -3.943  -1.838
   66   HD13  LEU  11          3HD1      LEU  11   3.401  -4.691  -3.058
   67   HD21  LEU  11          3HD2      LEU  11   2.709  -4.865  -5.371
   68   HD22  LEU  11          1HD2      LEU  11   1.168  -4.191  -5.923
   69   HD23  LEU  11          2HD2      LEU  11   1.180  -5.653  -4.906
   70    H    CYS  12           H        CYS  12   1.856  -1.997  -0.927
   71    HA   CYS  12           HA       CYS  12   2.385   0.736  -1.794
   72    HB2  CYS  12           1HB      CYS  12   2.869  -0.123   0.482
   73    HB3  CYS  12           2HB      CYS  12   4.017  -1.277  -0.208
   74    H    ASP  13           H        ASP  13   3.326   1.216  -3.682
   75    HA   ASP  13           HA       ASP  13   4.811  -0.762  -5.265
   76    HB2  ASP  13           1HB      ASP  13   3.202   0.874  -6.226
   77    HB3  ASP  13           2HB      ASP  13   4.282   2.189  -5.755
   78    H    MET  14           H        MET  14   5.680   1.083  -2.641
   79    HA   MET  14           HA       MET  14   8.366   1.893  -3.653
   80    HB2  MET  14           1HB      MET  14   6.860   2.752  -1.170
   81    HB3  MET  14           2HB      MET  14   8.359   3.429  -1.782
   82    HG2  MET  14           1HG      MET  14   7.168   4.144  -3.848
   83    HG3  MET  14           2HG      MET  14   5.658   3.523  -3.166
   84    HE1  MET  14           3HE      MET  14   4.895   7.261  -2.912
   85    HE2  MET  14           1HE      MET  14   5.655   6.336  -4.233
   86    HE3  MET  14           2HE      MET  14   4.292   5.639  -3.322
   87    H    CYS  15           H        CYS  15   6.860   0.060  -0.997
   88    HA   CYS  15           HA       CYS  15   9.472  -1.273  -0.543
   89    HB2  CYS  15           1HB      CYS  15   9.284  -1.278   1.805
   90    HB3  CYS  15           2HB      CYS  15   9.259   0.367   1.199
   91    H    GLY  16           H        GLY  16   6.356  -1.754  -1.493
   92    HA2  GLY  16           1HA      GLY  16   5.516  -3.772  -2.288
   93    HA3  GLY  16           2HA      GLY  16   6.827  -4.626  -1.495
   94    H    LYS  17           H        LYS  17   5.096  -2.739   0.755
   95    HA   LYS  17           HA       LYS  17   3.956  -5.088   2.066
   96    HB2  LYS  17           1HB      LYS  17   3.865  -2.116   2.732
   97    HB3  LYS  17           2HB      LYS  17   3.230  -3.393   3.777
   98    HG2  LYS  17           1HG      LYS  17   5.477  -4.410   3.956
   99    HG3  LYS  17           2HG      LYS  17   6.123  -3.193   2.841
  100    HD2  LYS  17           1HD      LYS  17   5.462  -1.402   4.469
  101    HD3  LYS  17           2HD      LYS  17   4.949  -2.656   5.599
  102    HE2  LYS  17           1HE      LYS  17   7.185  -1.819   6.153
  103    HE3  LYS  17           2HE      LYS  17   7.241  -3.533   5.735
  104    HZ1  LYS  17           3HZ      LYS  17   8.164  -2.989   3.614
  105    HZ2  LYS  17           1HZ      LYS  17   9.016  -2.098   4.689
  106    HZ3  LYS  17           2HZ      LYS  17   7.852  -1.402   3.748
  107    H    LYS  18           H        LYS  18   1.897  -5.612   2.474
  108    HA   LYS  18           HA       LYS  18  -0.170  -4.531   0.612
  109    HB2  LYS  18           1HB      LYS  18   0.414  -7.258   1.753
  110    HB3  LYS  18           2HB      LYS  18  -1.224  -6.856   1.250
  111    HG2  LYS  18           1HG      LYS  18  -0.545  -6.365  -1.010
  112    HG3  LYS  18           2HG      LYS  18   1.169  -6.444  -0.582
  113    HD2  LYS  18           1HD      LYS  18   0.944  -8.846  -0.036
  114    HD3  LYS  18           2HD      LYS  18  -0.779  -8.789  -0.473
  115    HE2  LYS  18           1HE      LYS  18  -0.167  -8.104  -2.783
  116    HE3  LYS  18           2HE      LYS  18   1.546  -8.136  -2.344
  117    HZ1  LYS  18           3HZ      LYS  18   0.879 -10.201  -3.439
  118    HZ2  LYS  18           1HZ      LYS  18  -0.258 -10.502  -2.308
  119    HZ3  LYS  18           2HZ      LYS  18   1.325 -10.524  -1.905
  120    H    PHE  19           H        PHE  19  -2.156  -4.003   1.225
  121    HA   PHE  19           HA       PHE  19  -2.801  -3.708   4.123
  122    HB2  PHE  19           1HB      PHE  19  -2.867  -1.575   1.953
  123    HB3  PHE  19           2HB      PHE  19  -3.459  -1.354   3.590
  124    HD1  PHE  19           2HD      PHE  19  -1.827  -1.567   5.555
  125    HD2  PHE  19           1HD      PHE  19  -0.516  -1.418   1.453
  126    HE1  PHE  19           2HE      PHE  19   0.471  -1.009   6.310
  127    HE2  PHE  19           1HE      PHE  19   1.777  -0.872   2.210
  128    HZ   PHE  19           HZ       PHE  19   2.281  -0.679   4.638
  129    H    LYS  20           H        LYS  20  -4.951  -3.333   4.663
  130    HA   LYS  20           HA       LYS  20  -6.848  -4.870   3.089
  131    HB2  LYS  20           1HB      LYS  20  -8.248  -4.756   5.030
  132    HB3  LYS  20           2HB      LYS  20  -6.591  -5.084   5.535
  133    HG2  LYS  20           1HG      LYS  20  -6.340  -2.611   6.075
  134    HG3  LYS  20           2HG      LYS  20  -8.054  -2.402   5.726
  135    HD2  LYS  20           1HD      LYS  20  -6.837  -4.188   7.875
  136    HD3  LYS  20           2HD      LYS  20  -7.590  -2.623   8.151
  137    HE2  LYS  20           1HE      LYS  20  -9.025  -5.097   7.070
  138    HE3  LYS  20           2HE      LYS  20  -9.020  -4.584   8.756
  139    HZ1  LYS  20           3HZ      LYS  20 -10.107  -2.510   8.075
  140    HZ2  LYS  20           1HZ      LYS  20 -11.007  -3.799   7.649
  141    HZ3  LYS  20           2HZ      LYS  20 -10.155  -3.000   6.514
  142    H    SER  21           H        SER  21  -6.234  -1.507   3.175
  143    HA   SER  21           HA       SER  21  -8.586  -0.945   1.487
  144    HB2  SER  21           1HB      SER  21  -9.506  -0.570   3.701
  145    HB3  SER  21           2HB      SER  21  -8.121   0.433   4.156
  146    HG   SER  21           HG       SER  21 -10.077   1.577   3.453
  147    H    LYS  22           H        LYS  22  -8.401   0.949   0.289
  148    HA   LYS  22           HA       LYS  22  -5.799   2.011  -0.364
  149    HB2  LYS  22           1HB      LYS  22  -7.105   3.753  -1.605
  150    HB3  LYS  22           2HB      LYS  22  -7.453   2.095  -2.063
  151    HG2  LYS  22           1HG      LYS  22  -9.554   2.124  -0.775
  152    HG3  LYS  22           2HG      LYS  22  -9.199   3.764  -0.207
  153    HD2  LYS  22           1HD      LYS  22  -9.261   4.590  -2.546
  154    HD3  LYS  22           2HD      LYS  22  -9.606   2.942  -3.116
  155    HE2  LYS  22           1HE      LYS  22 -11.687   2.911  -1.752
  156    HE3  LYS  22           2HE      LYS  22 -11.344   4.552  -1.188
  157    HZ1  LYS  22           3HZ      LYS  22 -12.898   4.564  -3.054
  158    HZ2  LYS  22           1HZ      LYS  22 -11.836   3.794  -4.022
  159    HZ3  LYS  22           2HZ      LYS  22 -11.519   5.310  -3.501
  160    H    GLY  23           H        GLY  23  -8.197   2.974   2.034
  161    HA2  GLY  23           1HA      GLY  23  -7.030   5.540   2.720
  162    HA3  GLY  23           2HA      GLY  23  -8.088   4.544   3.731
  163    H    THR  24           H        THR  24  -6.635   2.219   4.071
  164    HA   THR  24           HA       THR  24  -4.636   2.838   6.007
  165    HB   THR  24           HB       THR  24  -4.883   0.217   4.491
  166    HG1  THR  24           1HG      THR  24  -6.364   1.069   6.752
  167   HG21  THR  24          3HG2      THR  24  -2.985   0.391   6.082
  168   HG22  THR  24          1HG2      THR  24  -4.199  -0.783   6.623
  169   HG23  THR  24          2HG2      THR  24  -4.114   0.827   7.378
  170    H    LEU  25           H        LEU  25  -4.314   1.746   2.579
  171    HA   LEU  25           HA       LEU  25  -1.464   1.800   2.509
  172    HB2  LEU  25           1HB      LEU  25  -2.739   0.608   0.856
  173    HB3  LEU  25           2HB      LEU  25  -3.631   2.057   0.412
  174    HG   LEU  25           HG       LEU  25  -1.536   3.066  -0.508
  175   HD11  LEU  25          1HD1      LEU  25   0.143   1.812   0.845
  176   HD12  LEU  25          2HD1      LEU  25   0.437   1.646  -0.883
  177   HD13  LEU  25          3HD1      LEU  25  -0.324   0.317   0.008
  178   HD21  LEU  25          3HD2      LEU  25  -1.453   1.696  -2.505
  179   HD22  LEU  25          1HD2      LEU  25  -3.123   1.821  -1.915
  180   HD23  LEU  25          2HD2      LEU  25  -2.180   0.335  -1.635
  181    H    LYS  26           H        LYS  26  -3.856   4.442   1.797
  182    HA   LYS  26           HA       LYS  26  -1.928   6.361   0.963
  183    HB2  LYS  26           1HB      LYS  26  -4.330   6.635   0.634
  184    HB3  LYS  26           2HB      LYS  26  -4.594   6.787   2.380
  185    HG2  LYS  26           1HG      LYS  26  -3.215   8.825   2.445
  186    HG3  LYS  26           2HG      LYS  26  -2.855   8.669   0.723
  187    HD2  LYS  26           1HD      LYS  26  -5.632   9.097   1.922
  188    HD3  LYS  26           2HD      LYS  26  -4.599  10.372   1.257
  189    HE2  LYS  26           1HE      LYS  26  -4.618   9.219  -0.959
  190    HE3  LYS  26           2HE      LYS  26  -5.715   7.997  -0.302
  191    HZ1  LYS  26           3HZ      LYS  26  -6.322  10.901  -0.500
  192    HZ2  LYS  26           1HZ      LYS  26  -7.335   9.775   0.114
  193    HZ3  LYS  26           2HZ      LYS  26  -6.936   9.742  -1.468
  194    H    SER  27           H        SER  27  -3.222   5.784   4.264
  195    HA   SER  27           HA       SER  27  -1.553   7.601   5.658
  196    HB2  SER  27           1HB      SER  27  -2.706   4.939   6.560
  197    HB3  SER  27           2HB      SER  27  -1.973   6.149   7.633
  198    HG   SER  27           HG       SER  27  -4.262   6.371   7.505
  199    H    HIS  28           H        HIS  28  -0.685   4.513   4.247
  200    HA   HIS  28           HA       HIS  28   1.915   4.398   5.649
  201    HB2  HIS  28           1HB      HIS  28   0.826   2.302   5.253
  202    HB3  HIS  28           2HB      HIS  28   0.611   2.650   3.539
  203    HD1  HIS  28           1HD      HIS  28   3.471   1.856   6.009
  204    HD2  HIS  28           2HD      HIS  28   2.616   2.181   1.903
  205    HE1  HIS  28           1HE      HIS  28   5.548   1.034   4.805
  206    H    LYS  29           H        LYS  29   0.749   5.097   2.301
  207    HA   LYS  29           HA       LYS  29   3.310   5.544   1.127
  208    HB2  LYS  29           1HB      LYS  29   0.511   6.503   0.446
  209    HB3  LYS  29           2HB      LYS  29   1.922   7.004  -0.492
  210    HG2  LYS  29           1HG      LYS  29   2.513   4.660  -0.953
  211    HG3  LYS  29           2HG      LYS  29   1.096   4.103  -0.044
  212    HD2  LYS  29           1HD      LYS  29  -0.417   5.183  -1.624
  213    HD3  LYS  29           2HD      LYS  29   0.942   5.976  -2.440
  214    HE2  LYS  29           1HE      LYS  29   1.849   3.757  -3.096
  215    HE3  LYS  29           2HE      LYS  29   0.446   2.977  -2.360
  216    HZ1  LYS  29           3HZ      LYS  29   0.115   3.283  -4.742
  217    HZ2  LYS  29           1HZ      LYS  29   0.343   4.893  -4.630
  218    HZ3  LYS  29           2HZ      LYS  29  -0.969   4.206  -3.942
  219    H    LEU  30           H        LEU  30   1.298   7.775   2.991
  220    HA   LEU  30           HA       LEU  30   2.808  10.155   2.599
  221    HB2  LEU  30           1HB      LEU  30   1.219   9.073   4.958
  222    HB3  LEU  30           2HB      LEU  30   1.918  10.689   4.959
  223    HG   LEU  30           HG       LEU  30  -0.070   9.745   2.847
  224   HD11  LEU  30          1HD1      LEU  30  -1.723  11.060   4.099
  225   HD12  LEU  30          2HD1      LEU  30  -0.507  11.428   5.347
  226   HD13  LEU  30          3HD1      LEU  30  -1.064   9.760   5.105
  227   HD21  LEU  30          3HD2      LEU  30   0.984  12.506   3.589
  228   HD22  LEU  30          1HD2      LEU  30  -0.335  12.178   2.438
  229   HD23  LEU  30          2HD2      LEU  30   1.303  11.622   2.078
  230    H    LEU  31           H        LEU  31   3.645   7.330   4.516
  231    HA   LEU  31           HA       LEU  31   5.703   8.639   6.101
  232    HB2  LEU  31           1HB      LEU  31   5.402   5.677   5.500
  233    HB3  LEU  31           2HB      LEU  31   6.304   6.404   6.818
  234    HG   LEU  31           HG       LEU  31   3.271   6.495   6.509
  235   HD11  LEU  31          1HD1      LEU  31   3.251   4.947   8.402
  236   HD12  LEU  31          2HD1      LEU  31   5.030   4.928   8.435
  237   HD13  LEU  31          3HD1      LEU  31   4.152   4.256   7.042
  238   HD21  LEU  31          3HD2      LEU  31   5.057   7.446   8.792
  239   HD22  LEU  31          1HD2      LEU  31   3.280   7.347   8.834
  240   HD23  LEU  31          2HD2      LEU  31   4.069   8.476   7.728
  241    H    HIS  32           H        HIS  32   5.685   7.459   2.834
  242    HA   HIS  32           HA       HIS  32   8.617   7.168   2.668
  243    HB2  HIS  32           1HB      HIS  32   6.372   6.882   0.645
  244    HB3  HIS  32           2HB      HIS  32   8.072   6.727   0.236
  245    HD1  HIS  32           1HD      HIS  32   9.414   4.702   1.733
  246    HD2  HIS  32           2HD      HIS  32   5.271   4.570   1.076
  247    HE1  HIS  32           1HE      HIS  32   8.760   2.264   1.969
  248    H    THR  33           H        THR  33   6.718   9.885   2.810
  249    HA   THR  33           HA       THR  33   8.565  11.488   1.115
  250    HB   THR  33           HB       THR  33   6.598  10.876  -0.242
  251    HG1  THR  33           1HG      THR  33   6.263  12.951  -0.963
  252   HG21  THR  33          3HG2      THR  33   4.427  11.944   0.157
  253   HG22  THR  33          1HG2      THR  33   4.995  12.582   1.715
  254   HG23  THR  33          2HG2      THR  33   4.827  10.828   1.469
  255    H    ALA  34           H        ALA  34   8.144  13.883   1.409
  256    HA   ALA  34           HA       ALA  34   7.181  14.736   4.036
  257    HB1  ALA  34           1HB      ALA  34   9.345  15.726   4.719
  258    HB2  ALA  34           2HB      ALA  34   9.465  13.962   4.583
  259    HB3  ALA  34           3HB      ALA  34  10.134  15.000   3.302
  260    H    ASP  35           H        ASP  35   6.917  16.998   4.207
  261    HA   ASP  35           HA       ASP  35   6.636  18.435   1.661
  262    HB2  ASP  35           1HB      ASP  35   5.406  20.054   2.909
  263    HB3  ASP  35           2HB      ASP  35   4.835  18.449   3.340
  264    H    GLY  36           H        GLY  36   7.384  20.614   1.341
  265    HA2  GLY  36           1HA      GLY  36   9.295  22.035   2.843
  266    HA3  GLY  36           2HA      GLY  36  10.205  20.981   1.759
  Start of MODEL    5
    1    H1   GLY   1           1H       GLY   1  11.848 -17.513  -8.002
    2    H2   GLY   1           2H       GLY   1  13.005 -16.442  -7.556
    3    H3   GLY   1           3H       GLY   1  12.150 -16.200  -8.934
    4    HA2  GLY   1           1HA      GLY   1  11.037 -16.138  -6.204
    5    HA3  GLY   1           2HA      GLY   1  11.384 -14.712  -7.198
    6    H    SER   2           H        SER   2   8.819 -15.744  -6.049
    7    HA   SER   2           HA       SER   2   7.156 -16.797  -8.125
    8    HB2  SER   2           1HB      SER   2   6.371 -15.228  -5.641
    9    HB3  SER   2           2HB      SER   2   5.299 -16.238  -6.630
   10    HG   SER   2           HG       SER   2   6.096 -17.357  -4.779
   11    H    SER   3           H        SER   3   5.501 -15.845  -9.345
   12    HA   SER   3           HA       SER   3   5.959 -13.127 -10.308
   13    HB2  SER   3           1HB      SER   3   5.227 -15.072 -11.733
   14    HB3  SER   3           2HB      SER   3   3.636 -14.971 -10.952
   15    HG   SER   3           HG       SER   3   3.778 -13.767 -12.931
   16    H    GLY   4           H        GLY   4   4.269 -11.474 -10.394
   17    HA2  GLY   4           1HA      GLY   4   3.276 -10.803  -7.779
   18    HA3  GLY   4           2HA      GLY   4   2.969  -9.916  -9.267
   19    H    SER   5           H        SER   5   1.305 -10.955  -6.865
   20    HA   SER   5           HA       SER   5  -1.149 -11.482  -8.383
   21    HB2  SER   5           1HB      SER   5  -0.139 -13.754  -8.012
   22    HB3  SER   5           2HB      SER   5  -0.224 -13.465  -6.264
   23    HG   SER   5           HG       SER   5  -2.055 -14.619  -7.113
   24    H    SER   6           H        SER   6  -3.057 -11.160  -7.108
   25    HA   SER   6           HA       SER   6  -2.832 -10.152  -4.354
   26    HB2  SER   6           1HB      SER   6  -2.255  -8.173  -5.716
   27    HB3  SER   6           2HB      SER   6  -3.779  -8.340  -6.611
   28    HG   SER   6           HG       SER   6  -3.832  -6.841  -4.809
   29    H    GLY   7           H        GLY   7  -4.672 -10.398  -3.216
   30    HA2  GLY   7           1HA      GLY   7  -7.081 -11.612  -4.458
   31    HA3  GLY   7           2HA      GLY   7  -6.705 -11.505  -2.735
   32    H    LYS   8           H        LYS   8  -6.896  -9.082  -5.363
   33    HA   LYS   8           HA       LYS   8  -7.666  -6.958  -5.453
   34    HB2  LYS   8           1HB      LYS   8  -9.843  -8.357  -5.304
   35    HB3  LYS   8           2HB      LYS   8 -10.007  -7.682  -3.681
   36    HG2  LYS   8           1HG      LYS   8  -9.853  -5.365  -4.725
   37    HG3  LYS   8           2HG      LYS   8  -9.827  -6.134  -6.312
   38    HD2  LYS   8           1HD      LYS   8 -12.077  -6.360  -4.261
   39    HD3  LYS   8           2HD      LYS   8 -12.066  -5.281  -5.663
   40    HE2  LYS   8           1HE      LYS   8 -11.911  -7.254  -7.178
   41    HE3  LYS   8           2HE      LYS   8 -11.971  -8.330  -5.777
   42    HZ1  LYS   8           3HZ      LYS   8 -14.167  -8.056  -6.767
   43    HZ2  LYS   8           1HZ      LYS   8 -14.126  -6.440  -6.560
   44    HZ3  LYS   8           2HZ      LYS   8 -14.177  -7.431  -5.260
   45    H    THR   9           H        THR   9  -5.737  -7.574  -3.527
   46    HA   THR   9           HA       THR   9  -6.190  -5.963  -1.114
   47    HB   THR   9           HB       THR   9  -3.574  -7.233  -1.982
   48    HG1  THR   9           1HG      THR   9  -4.303  -9.074  -0.793
   49   HG21  THR   9          3HG2      THR   9  -4.861  -6.690   0.730
   50   HG22  THR   9          1HG2      THR   9  -3.427  -5.892   0.042
   51   HG23  THR   9          2HG2      THR   9  -3.357  -7.600   0.490
   52    H    HIS  10           H        HIS  10  -5.001  -4.051  -0.590
   53    HA   HIS  10           HA       HIS  10  -4.042  -2.469  -2.903
   54    HB2  HIS  10           1HB      HIS  10  -4.518  -1.780   0.019
   55    HB3  HIS  10           2HB      HIS  10  -3.839  -0.672  -1.159
   56    HD1  HIS  10           1HD      HIS  10  -5.498   0.363  -2.978
   57    HD2  HIS  10           2HD      HIS  10  -7.174  -2.461  -0.349
   58    HE1  HIS  10           1HE      HIS  10  -8.018   0.511  -3.291
   59    H    LEU  11           H        LEU  11  -1.894  -1.720  -3.120
   60    HA   LEU  11           HA       LEU  11   0.169  -3.110  -1.469
   61    HB2  LEU  11           1HB      LEU  11  -0.274  -4.530  -3.315
   62    HB3  LEU  11           2HB      LEU  11  -0.276  -3.183  -4.459
   63    HG   LEU  11           HG       LEU  11   2.184  -2.890  -4.096
   64   HD11  LEU  11          1HD1      LEU  11   3.457  -4.695  -3.029
   65   HD12  LEU  11          2HD1      LEU  11   1.957  -5.516  -2.563
   66   HD13  LEU  11          3HD1      LEU  11   2.385  -3.950  -1.844
   67   HD21  LEU  11          3HD2      LEU  11   1.298  -5.677  -4.937
   68   HD22  LEU  11          1HD2      LEU  11   2.835  -4.885  -5.366
   69   HD23  LEU  11          2HD2      LEU  11   1.305  -4.226  -5.966
   70    H    CYS  12           H        CYS  12   1.877  -2.026  -0.964
   71    HA   CYS  12           HA       CYS  12   2.411   0.714  -1.834
   72    HB2  CYS  12           1HB      CYS  12   2.753  -0.161   0.487
   73    HB3  CYS  12           2HB      CYS  12   4.008  -1.236  -0.135
   74    H    ASP  13           H        ASP  13   3.346   1.085  -3.788
   75    HA   ASP  13           HA       ASP  13   5.132  -0.869  -5.055
   76    HB2  ASP  13           1HB      ASP  13   5.180   0.656  -6.914
   77    HB3  ASP  13           2HB      ASP  13   3.524   0.371  -6.399
   78    H    MET  14           H        MET  14   5.634   1.251  -2.556
   79    HA   MET  14           HA       MET  14   8.337   2.171  -3.384
   80    HB2  MET  14           1HB      MET  14   6.857   2.616  -0.794
   81    HB3  MET  14           2HB      MET  14   8.315   3.417  -1.303
   82    HG2  MET  14           1HG      MET  14   5.628   3.682  -2.724
   83    HG3  MET  14           2HG      MET  14   6.166   4.724  -1.420
   84    HE1  MET  14           3HE      MET  14   5.118   6.063  -3.869
   85    HE2  MET  14           1HE      MET  14   5.863   6.872  -2.473
   86    HE3  MET  14           2HE      MET  14   6.361   7.312  -4.127
   87    H    CYS  15           H        CYS  15   6.816   0.088  -0.883
   88    HA   CYS  15           HA       CYS  15   9.460  -1.155  -0.350
   89    HB2  CYS  15           1HB      CYS  15   9.179  -1.157   1.968
   90    HB3  CYS  15           2HB      CYS  15   9.054   0.483   1.359
   91    H    GLY  16           H        GLY  16   6.332  -1.775  -1.357
   92    HA2  GLY  16           1HA      GLY  16   5.645  -3.827  -2.211
   93    HA3  GLY  16           2HA      GLY  16   6.937  -4.629  -1.334
   94    H    LYS  17           H        LYS  17   5.099  -2.765   0.816
   95    HA   LYS  17           HA       LYS  17   3.915  -5.120   2.085
   96    HB2  LYS  17           1HB      LYS  17   3.826  -2.153   2.766
   97    HB3  LYS  17           2HB      LYS  17   3.154  -3.430   3.785
   98    HG2  LYS  17           1HG      LYS  17   5.395  -4.461   4.018
   99    HG3  LYS  17           2HG      LYS  17   6.071  -3.237   2.930
  100    HD2  LYS  17           1HD      LYS  17   5.340  -1.459   4.562
  101    HD3  LYS  17           2HD      LYS  17   4.846  -2.739   5.672
  102    HE2  LYS  17           1HE      LYS  17   7.058  -1.858   6.255
  103    HE3  LYS  17           2HE      LYS  17   7.159  -3.564   5.814
  104    HZ1  LYS  17           3HZ      LYS  17   8.093  -2.976   3.716
  105    HZ2  LYS  17           1HZ      LYS  17   8.903  -2.060   4.801
  106    HZ3  LYS  17           2HZ      LYS  17   7.725  -1.402   3.851
  107    H    LYS  18           H        LYS  18   1.862  -5.687   2.366
  108    HA   LYS  18           HA       LYS  18  -0.163  -4.510   0.537
  109    HB2  LYS  18           1HB      LYS  18   0.354  -7.259   1.649
  110    HB3  LYS  18           2HB      LYS  18  -1.284  -6.811   1.188
  111    HG2  LYS  18           1HG      LYS  18  -0.619  -6.273  -1.076
  112    HG3  LYS  18           2HG      LYS  18   1.097  -6.479  -0.678
  113    HD2  LYS  18           1HD      LYS  18   0.794  -8.846  -0.262
  114    HD3  LYS  18           2HD      LYS  18  -0.967  -8.709  -0.470
  115    HE2  LYS  18           1HE      LYS  18  -0.667  -8.023  -2.820
  116    HE3  LYS  18           2HE      LYS  18   1.091  -8.091  -2.643
  117    HZ1  LYS  18           3HZ      LYS  18  -0.687 -10.444  -2.279
  118    HZ2  LYS  18           1HZ      LYS  18   0.947 -10.463  -2.301
  119    HZ3  LYS  18           2HZ      LYS  18   0.105 -10.118  -3.667
  120    H    PHE  19           H        PHE  19  -2.134  -3.930   1.110
  121    HA   PHE  19           HA       PHE  19  -2.859  -3.663   3.993
  122    HB2  PHE  19           1HB      PHE  19  -2.837  -1.498   1.854
  123    HB3  PHE  19           2HB      PHE  19  -3.484  -1.294   3.472
  124    HD1  PHE  19           2HD      PHE  19  -1.921  -1.589   5.490
  125    HD2  PHE  19           1HD      PHE  19  -0.474  -1.324   1.439
  126    HE1  PHE  19           2HE      PHE  19   0.357  -1.088   6.337
  127    HE2  PHE  19           1HE      PHE  19   1.801  -0.850   2.289
  128    HZ   PHE  19           HZ       PHE  19   2.229  -0.734   4.736
  129    H    LYS  20           H        LYS  20  -5.049  -3.407   4.483
  130    HA   LYS  20           HA       LYS  20  -6.822  -4.894   2.746
  131    HB2  LYS  20           1HB      LYS  20  -6.682  -5.112   5.227
  132    HB3  LYS  20           2HB      LYS  20  -7.330  -3.484   5.401
  133    HG2  LYS  20           1HG      LYS  20  -9.023  -5.151   5.846
  134    HG3  LYS  20           2HG      LYS  20  -9.480  -4.205   4.435
  135    HD2  LYS  20           1HD      LYS  20  -8.730  -6.043   2.942
  136    HD3  LYS  20           2HD      LYS  20  -8.214  -6.994   4.339
  137    HE2  LYS  20           1HE      LYS  20 -11.071  -6.045   3.813
  138    HE3  LYS  20           2HE      LYS  20 -10.445  -7.623   3.334
  139    HZ1  LYS  20           3HZ      LYS  20 -10.640  -6.662   6.137
  140    HZ2  LYS  20           1HZ      LYS  20 -10.022  -8.109   5.686
  141    HZ3  LYS  20           2HZ      LYS  20 -11.599  -7.780   5.442
  142    H    SER  21           H        SER  21  -6.349  -1.484   3.177
  143    HA   SER  21           HA       SER  21  -8.608  -0.861   1.347
  144    HB2  SER  21           1HB      SER  21  -9.540  -0.657   3.601
  145    HB3  SER  21           2HB      SER  21  -8.208   0.409   4.082
  146    HG   SER  21           HG       SER  21 -10.193   1.496   3.436
  147    H    LYS  22           H        LYS  22  -8.456   1.130   0.297
  148    HA   LYS  22           HA       LYS  22  -5.852   2.081  -0.418
  149    HB2  LYS  22           1HB      LYS  22  -8.217   2.250  -1.636
  150    HB3  LYS  22           2HB      LYS  22  -8.344   3.771  -0.749
  151    HG2  LYS  22           1HG      LYS  22  -6.176   4.503  -1.759
  152    HG3  LYS  22           2HG      LYS  22  -6.083   2.974  -2.645
  153    HD2  LYS  22           1HD      LYS  22  -8.203   3.520  -3.818
  154    HD3  LYS  22           2HD      LYS  22  -8.300   5.055  -2.925
  155    HE2  LYS  22           1HE      LYS  22  -6.126   5.757  -3.906
  156    HE3  LYS  22           2HE      LYS  22  -6.029   4.232  -4.794
  157    HZ1  LYS  22           3HZ      LYS  22  -6.918   6.013  -6.186
  158    HZ2  LYS  22           1HZ      LYS  22  -8.152   6.283  -5.157
  159    HZ3  LYS  22           2HZ      LYS  22  -8.064   4.873  -5.979
  160    H    GLY  23           H        GLY  23  -8.190   3.221   1.997
  161    HA2  GLY  23           1HA      GLY  23  -6.857   5.676   2.710
  162    HA3  GLY  23           2HA      GLY  23  -7.997   4.770   3.711
  163    H    THR  24           H        THR  24  -6.497   2.304   3.872
  164    HA   THR  24           HA       THR  24  -4.571   2.897   5.937
  165    HB   THR  24           HB       THR  24  -4.900   0.267   4.454
  166    HG1  THR  24           1HG      THR  24  -6.364  -0.178   6.208
  167   HG21  THR  24          3HG2      THR  24  -4.176  -0.711   6.584
  168   HG22  THR  24          1HG2      THR  24  -4.082   0.906   7.324
  169   HG23  THR  24          2HG2      THR  24  -2.962   0.451   6.025
  170    H    LEU  25           H        LEU  25  -4.220   1.759   2.518
  171    HA   LEU  25           HA       LEU  25  -1.373   1.770   2.439
  172    HB2  LEU  25           1HB      LEU  25  -2.690   0.685   0.736
  173    HB3  LEU  25           2HB      LEU  25  -3.552   2.174   0.368
  174    HG   LEU  25           HG       LEU  25  -1.441   3.179  -0.520
  175   HD11  LEU  25          1HD1      LEU  25   0.226   1.861   0.743
  176   HD12  LEU  25          2HD1      LEU  25   0.471   1.680  -0.998
  177   HD13  LEU  25          3HD1      LEU  25  -0.316   0.380  -0.080
  178   HD21  LEU  25          3HD2      LEU  25  -3.084   2.001  -1.959
  179   HD22  LEU  25          1HD2      LEU  25  -2.093   0.524  -1.811
  180   HD23  LEU  25          2HD2      LEU  25  -1.421   1.970  -2.585
  181    H    LYS  26           H        LYS  26  -3.717   4.413   1.711
  182    HA   LYS  26           HA       LYS  26  -1.837   6.445   1.069
  183    HB2  LYS  26           1HB      LYS  26  -4.239   6.657   0.653
  184    HB3  LYS  26           2HB      LYS  26  -4.588   6.573   2.380
  185    HG2  LYS  26           1HG      LYS  26  -3.352   8.707   2.742
  186    HG3  LYS  26           2HG      LYS  26  -2.975   8.768   1.019
  187    HD2  LYS  26           1HD      LYS  26  -4.835  10.259   1.456
  188    HD3  LYS  26           2HD      LYS  26  -5.399   8.900   0.492
  189    HE2  LYS  26           1HE      LYS  26  -7.068   9.392   2.139
  190    HE3  LYS  26           2HE      LYS  26  -6.347   7.837   2.542
  191    HZ1  LYS  26           3HZ      LYS  26  -5.029   8.969   4.262
  192    HZ2  LYS  26           1HZ      LYS  26  -6.610   9.284   4.494
  193    HZ3  LYS  26           2HZ      LYS  26  -5.651  10.425   3.840
  194    H    SER  27           H        SER  27  -3.240   5.630   4.262
  195    HA   SER  27           HA       SER  27  -1.773   7.555   5.771
  196    HB2  SER  27           1HB      SER  27  -2.868   4.861   6.672
  197    HB3  SER  27           2HB      SER  27  -2.356   6.191   7.727
  198    HG   SER  27           HG       SER  27  -4.548   6.086   5.930
  199    H    HIS  28           H        HIS  28  -0.787   4.437   4.527
  200    HA   HIS  28           HA       HIS  28   1.715   4.312   6.076
  201    HB2  HIS  28           1HB      HIS  28   0.732   2.225   5.503
  202    HB3  HIS  28           2HB      HIS  28   0.517   2.679   3.819
  203    HD1  HIS  28           1HD      HIS  28   3.415   1.802   6.224
  204    HD2  HIS  28           2HD      HIS  28   2.464   2.201   2.148
  205    HE1  HIS  28           1HE      HIS  28   5.444   0.955   4.956
  206    H    LYS  29           H        LYS  29   0.791   5.188   2.703
  207    HA   LYS  29           HA       LYS  29   3.445   5.660   1.786
  208    HB2  LYS  29           1HB      LYS  29   0.691   6.445   0.816
  209    HB3  LYS  29           2HB      LYS  29   2.126   7.151   0.056
  210    HG2  LYS  29           1HG      LYS  29   3.061   4.907  -0.350
  211    HG3  LYS  29           2HG      LYS  29   1.610   4.156   0.335
  212    HD2  LYS  29           1HD      LYS  29   0.233   4.977  -1.463
  213    HD3  LYS  29           2HD      LYS  29   1.498   6.101  -2.007
  214    HE2  LYS  29           1HE      LYS  29   2.985   4.178  -2.526
  215    HE3  LYS  29           2HE      LYS  29   1.697   3.058  -2.083
  216    HZ1  LYS  29           3HZ      LYS  29   1.456   5.088  -4.242
  217    HZ2  LYS  29           1HZ      LYS  29   0.393   3.876  -3.934
  218    HZ3  LYS  29           2HZ      LYS  29   1.908   3.547  -4.498
  219    H    LEU  30           H        LEU  30   1.528   7.747   3.767
  220    HA   LEU  30           HA       LEU  30   2.926  10.200   3.436
  221    HB2  LEU  30           1HB      LEU  30   1.763   8.866   5.913
  222    HB3  LEU  30           2HB      LEU  30   2.306  10.541   5.873
  223    HG   LEU  30           HG       LEU  30   0.098   9.454   4.078
  224   HD11  LEU  30          1HD1      LEU  30  -0.127  11.072   6.637
  225   HD12  LEU  30          2HD1      LEU  30  -0.491   9.341   6.476
  226   HD13  LEU  30          3HD1      LEU  30  -1.464  10.529   5.588
  227   HD21  LEU  30          3HD2      LEU  30   1.153  11.464   3.154
  228   HD22  LEU  30          1HD2      LEU  30   0.980  12.297   4.715
  229   HD23  LEU  30          2HD2      LEU  30  -0.458  11.845   3.769
  230    H    LEU  31           H        LEU  31   4.066   7.209   4.844
  231    HA   LEU  31           HA       LEU  31   6.414   8.367   6.152
  232    HB2  LEU  31           1HB      LEU  31   5.812   5.488   5.383
  233    HB3  LEU  31           2HB      LEU  31   7.066   6.027   6.486
  234    HG   LEU  31           HG       LEU  31   4.065   6.330   6.982
  235   HD11  LEU  31          1HD1      LEU  31   4.835   3.993   7.046
  236   HD12  LEU  31          2HD1      LEU  31   4.394   4.577   8.660
  237   HD13  LEU  31          3HD1      LEU  31   6.109   4.435   8.206
  238   HD21  LEU  31          3HD2      LEU  31   6.455   6.891   8.793
  239   HD22  LEU  31          1HD2      LEU  31   4.750   6.897   9.296
  240   HD23  LEU  31          2HD2      LEU  31   5.324   8.098   8.135
  241    H    HIS  32           H        HIS  32   5.686   7.538   2.870
  242    HA   HIS  32           HA       HIS  32   8.570   7.342   2.114
  243    HB2  HIS  32           1HB      HIS  32   6.055   6.725   0.528
  244    HB3  HIS  32           2HB      HIS  32   7.705   6.553  -0.053
  245    HD1  HIS  32           1HD      HIS  32   9.213   4.751   1.738
  246    HD2  HIS  32           2HD      HIS  32   5.082   4.434   1.093
  247    HE1  HIS  32           1HE      HIS  32   8.621   2.330   2.235
  248    H    THR  33           H        THR  33   5.672   9.386   1.644
  249    HA   THR  33           HA       THR  33   6.733  10.915  -0.537
  250    HB   THR  33           HB       THR  33   4.939  12.577   0.081
  251    HG1  THR  33           1HG      THR  33   4.844  12.042   2.314
  252   HG21  THR  33          3HG2      THR  33   4.066   9.669  -0.204
  253   HG22  THR  33          1HG2      THR  33   4.505  10.769  -1.528
  254   HG23  THR  33          2HG2      THR  33   3.074  11.104  -0.540
  255    H    ALA  34           H        ALA  34   7.797  12.829  -0.690
  256    HA   ALA  34           HA       ALA  34   9.404  13.652   1.593
  257    HB1  ALA  34           1HB      ALA  34  10.536  15.047  -0.081
  258    HB2  ALA  34           2HB      ALA  34  10.323  13.391  -0.678
  259    HB3  ALA  34           3HB      ALA  34   9.262  14.694  -1.267
  260    H    ASP  35           H        ASP  35   6.413  14.785   0.287
  261    HA   ASP  35           HA       ASP  35   5.116  16.594   0.552
  262    HB2  ASP  35           1HB      ASP  35   5.151  15.550   2.815
  263    HB3  ASP  35           2HB      ASP  35   6.351  16.741   3.315
  264    H    GLY  36           H        GLY  36   7.480  17.214  -0.820
  265    HA2  GLY  36           1HA      GLY  36   7.326  20.001  -1.156
  266    HA3  GLY  36           2HA      GLY  36   8.683  19.713  -0.065
  Start of MODEL    6
    1    H1   GLY   1           1H       GLY   1 -17.291 -10.938 -14.933
    2    H2   GLY   1           2H       GLY   1 -16.082 -10.047 -14.275
    3    H3   GLY   1           3H       GLY   1 -16.624 -11.388 -13.506
    4    HA2  GLY   1           1HA      GLY   1 -15.814 -12.812 -15.265
    5    HA3  GLY   1           2HA      GLY   1 -15.251 -11.363 -16.119
    6    H    SER   2           H        SER   2 -13.793 -13.761 -15.003
    7    HA   SER   2           HA       SER   2 -12.453 -13.223 -12.616
    8    HB2  SER   2           1HB      SER   2 -11.413 -14.828 -14.979
    9    HB3  SER   2           2HB      SER   2 -10.925 -14.996 -13.281
   10    HG   SER   2           HG       SER   2 -12.505 -16.555 -13.887
   11    H    SER   3           H        SER   3 -11.690 -11.838 -15.742
   12    HA   SER   3           HA       SER   3  -8.965 -11.057 -15.132
   13    HB2  SER   3           1HB      SER   3 -10.876  -9.926 -17.207
   14    HB3  SER   3           2HB      SER   3  -9.113  -9.768 -17.194
   15    HG   SER   3           HG       SER   3  -8.946 -12.017 -17.491
   16    H    GLY   4           H        GLY   4 -11.911  -9.815 -13.935
   17    HA2  GLY   4           1HA      GLY   4 -11.389  -6.993 -13.935
   18    HA3  GLY   4           2HA      GLY   4 -12.537  -7.845 -12.912
   19    H    SER   5           H        SER   5 -10.849  -5.599 -12.219
   20    HA   SER   5           HA       SER   5  -8.742  -6.581 -10.432
   21    HB2  SER   5           1HB      SER   5  -8.340  -4.164 -10.055
   22    HB3  SER   5           2HB      SER   5  -8.302  -4.629 -11.763
   23    HG   SER   5           HG       SER   5  -9.533  -2.713 -11.408
   24    H    SER   6           H        SER   6 -12.068  -6.215 -10.026
   25    HA   SER   6           HA       SER   6 -12.375  -4.937  -7.563
   26    HB2  SER   6           1HB      SER   6 -14.009  -7.267  -8.637
   27    HB3  SER   6           2HB      SER   6 -14.523  -6.093  -7.410
   28    HG   SER   6           HG       SER   6 -15.290  -5.541  -9.505
   29    H    GLY   7           H        GLY   7 -12.246  -5.465  -5.452
   30    HA2  GLY   7           1HA      GLY   7 -12.033  -6.669  -3.509
   31    HA3  GLY   7           2HA      GLY   7 -12.239  -8.159  -4.425
   32    H    LYS   8           H        LYS   8  -9.601  -6.552  -5.791
   33    HA   LYS   8           HA       LYS   8  -7.666  -8.366  -4.573
   34    HB2  LYS   8           1HB      LYS   8  -7.321  -6.086  -6.560
   35    HB3  LYS   8           2HB      LYS   8  -6.027  -7.161  -6.023
   36    HG2  LYS   8           1HG      LYS   8  -7.294  -9.130  -6.894
   37    HG3  LYS   8           2HG      LYS   8  -8.568  -8.048  -7.461
   38    HD2  LYS   8           1HD      LYS   8  -7.207  -8.588  -9.341
   39    HD3  LYS   8           2HD      LYS   8  -6.885  -6.894  -8.930
   40    HE2  LYS   8           1HE      LYS   8  -4.801  -7.570  -7.760
   41    HE3  LYS   8           2HE      LYS   8  -5.150  -9.269  -8.101
   42    HZ1  LYS   8           3HZ      LYS   8  -4.639  -7.188 -10.163
   43    HZ2  LYS   8           1HZ      LYS   8  -4.962  -8.760 -10.479
   44    HZ3  LYS   8           2HZ      LYS   8  -3.585  -8.348  -9.709
   45    H    THR   9           H        THR   9  -5.852  -7.896  -3.373
   46    HA   THR   9           HA       THR   9  -6.148  -6.070  -1.226
   47    HB   THR   9           HB       THR   9  -3.505  -7.308  -2.058
   48    HG1  THR   9           1HG      THR   9  -4.208  -9.184  -1.012
   49   HG21  THR   9          3HG2      THR   9  -4.830  -6.779   0.644
   50   HG22  THR   9          1HG2      THR   9  -3.397  -5.961  -0.022
   51   HG23  THR   9          2HG2      THR   9  -3.313  -7.671   0.419
   52    H    HIS  10           H        HIS  10  -5.035  -4.157  -0.646
   53    HA   HIS  10           HA       HIS  10  -4.084  -2.491  -2.891
   54    HB2  HIS  10           1HB      HIS  10  -4.453  -1.837   0.056
   55    HB3  HIS  10           2HB      HIS  10  -4.086  -0.696  -1.226
   56    HD1  HIS  10           1HD      HIS  10  -6.119   0.067  -2.794
   57    HD2  HIS  10           2HD      HIS  10  -7.006  -2.835   0.118
   58    HE1  HIS  10           1HE      HIS  10  -8.663  -0.031  -2.636
   59    H    LEU  11           H        LEU  11  -1.937  -1.612  -3.011
   60    HA   LEU  11           HA       LEU  11   0.142  -3.016  -1.389
   61    HB2  LEU  11           1HB      LEU  11  -0.288  -4.430  -3.233
   62    HB3  LEU  11           2HB      LEU  11  -0.365  -3.075  -4.368
   63    HG   LEU  11           HG       LEU  11   2.105  -2.726  -4.066
   64   HD11  LEU  11          1HD1      LEU  11   1.942  -5.410  -2.625
   65   HD12  LEU  11          2HD1      LEU  11   2.378  -3.866  -1.862
   66   HD13  LEU  11          3HD1      LEU  11   3.425  -4.564  -3.103
   67   HD21  LEU  11          3HD2      LEU  11   1.194  -3.986  -5.957
   68   HD22  LEU  11          1HD2      LEU  11   1.211  -5.481  -4.989
   69   HD23  LEU  11          2HD2      LEU  11   2.738  -4.670  -5.426
   70    H    CYS  12           H        CYS  12   1.887  -1.940  -0.910
   71    HA   CYS  12           HA       CYS  12   2.417   0.812  -1.729
   72    HB2  CYS  12           1HB      CYS  12   2.894  -0.058   0.536
   73    HB3  CYS  12           2HB      CYS  12   4.015  -1.237  -0.153
   74    H    ASP  13           H        ASP  13   3.459   1.356  -3.553
   75    HA   ASP  13           HA       ASP  13   4.857  -0.637  -5.203
   76    HB2  ASP  13           1HB      ASP  13   3.287   1.072  -6.109
   77    HB3  ASP  13           2HB      ASP  13   4.420   2.340  -5.630
   78    H    MET  14           H        MET  14   5.812   1.098  -2.550
   79    HA   MET  14           HA       MET  14   8.542   1.803  -3.555
   80    HB2  MET  14           1HB      MET  14   6.838   2.814  -1.263
   81    HB3  MET  14           2HB      MET  14   8.512   3.322  -1.554
   82    HG2  MET  14           1HG      MET  14   7.919   4.083  -3.799
   83    HG3  MET  14           2HG      MET  14   6.238   3.627  -3.567
   84    HE1  MET  14           3HE      MET  14   4.722   6.268  -1.286
   85    HE2  MET  14           1HE      MET  14   4.422   5.106  -2.596
   86    HE3  MET  14           2HE      MET  14   5.097   4.544  -1.052
   87    H    CYS  15           H        CYS  15   6.917   0.058  -0.944
   88    HA   CYS  15           HA       CYS  15   9.466  -1.386  -0.465
   89    HB2  CYS  15           1HB      CYS  15   9.253  -1.419   1.888
   90    HB3  CYS  15           2HB      CYS  15   9.292   0.240   1.317
   91    H    GLY  16           H        GLY  16   6.340  -1.746  -1.446
   92    HA2  GLY  16           1HA      GLY  16   5.451  -3.727  -2.273
   93    HA3  GLY  16           2HA      GLY  16   6.754  -4.623  -1.515
   94    H    LYS  17           H        LYS  17   5.126  -2.764   0.814
   95    HA   LYS  17           HA       LYS  17   3.915  -5.088   2.090
   96    HB2  LYS  17           1HB      LYS  17   3.857  -2.114   2.759
   97    HB3  LYS  17           2HB      LYS  17   3.177  -3.379   3.789
   98    HG2  LYS  17           1HG      LYS  17   5.397  -4.440   4.018
   99    HG3  LYS  17           2HG      LYS  17   6.092  -3.241   2.914
  100    HD2  LYS  17           1HD      LYS  17   5.425  -1.432   4.529
  101    HD3  LYS  17           2HD      LYS  17   4.875  -2.679   5.649
  102    HE2  LYS  17           1HE      LYS  17   7.110  -1.873   6.244
  103    HE3  LYS  17           2HE      LYS  17   7.151  -3.587   5.826
  104    HZ1  LYS  17           3HZ      LYS  17   7.824  -1.467   3.850
  105    HZ2  LYS  17           1HZ      LYS  17   8.124  -3.057   3.727
  106    HZ3  LYS  17           2HZ      LYS  17   8.963  -2.171   4.814
  107    H    LYS  18           H        LYS  18   1.846  -5.609   2.423
  108    HA   LYS  18           HA       LYS  18  -0.159  -4.449   0.548
  109    HB2  LYS  18           1HB      LYS  18   0.354  -7.224   1.608
  110    HB3  LYS  18           2HB      LYS  18  -1.245  -6.777   1.023
  111    HG2  LYS  18           1HG      LYS  18  -0.424  -6.200  -1.167
  112    HG3  LYS  18           2HG      LYS  18   1.260  -6.339  -0.640
  113    HD2  LYS  18           1HD      LYS  18   0.941  -8.757  -0.214
  114    HD3  LYS  18           2HD      LYS  18  -0.749  -8.631  -0.758
  115    HE2  LYS  18           1HE      LYS  18   0.031  -7.861  -2.990
  116    HE3  LYS  18           2HE      LYS  18   1.711  -7.966  -2.446
  117    HZ1  LYS  18           3HZ      LYS  18   1.058  -9.954  -3.680
  118    HZ2  LYS  18           1HZ      LYS  18  -0.159 -10.273  -2.640
  119    HZ3  LYS  18           2HZ      LYS  18   1.395 -10.364  -2.139
  120    H    PHE  19           H        PHE  19  -2.179  -3.974   1.113
  121    HA   PHE  19           HA       PHE  19  -2.865  -3.724   4.010
  122    HB2  PHE  19           1HB      PHE  19  -2.922  -1.556   1.876
  123    HB3  PHE  19           2HB      PHE  19  -3.536  -1.368   3.507
  124    HD1  PHE  19           2HD      PHE  19  -1.942  -1.554   5.486
  125    HD2  PHE  19           1HD      PHE  19  -0.559  -1.400   1.409
  126    HE1  PHE  19           2HE      PHE  19   0.341  -0.985   6.284
  127    HE2  PHE  19           1HE      PHE  19   1.719  -0.843   2.206
  128    HZ   PHE  19           HZ       PHE  19   2.179  -0.648   4.643
  129    H    LYS  20           H        LYS  20  -5.021  -3.550   4.553
  130    HA   LYS  20           HA       LYS  20  -6.882  -4.887   2.740
  131    HB2  LYS  20           1HB      LYS  20  -8.323  -5.084   4.653
  132    HB3  LYS  20           2HB      LYS  20  -6.678  -5.528   5.094
  133    HG2  LYS  20           1HG      LYS  20  -6.363  -3.290   6.164
  134    HG3  LYS  20           2HG      LYS  20  -8.024  -2.854   5.720
  135    HD2  LYS  20           1HD      LYS  20  -8.887  -4.744   7.078
  136    HD3  LYS  20           2HD      LYS  20  -7.223  -5.182   7.522
  137    HE2  LYS  20           1HE      LYS  20  -6.917  -2.949   8.570
  138    HE3  LYS  20           2HE      LYS  20  -8.573  -2.510   8.128
  139    HZ1  LYS  20           3HZ      LYS  20  -7.832  -4.735   9.957
  140    HZ2  LYS  20           1HZ      LYS  20  -9.363  -4.330   9.548
  141    HZ3  LYS  20           2HZ      LYS  20  -8.450  -3.300  10.421
  142    H    SER  21           H        SER  21  -6.211  -1.620   3.125
  143    HA   SER  21           HA       SER  21  -8.620  -0.866   1.608
  144    HB2  SER  21           1HB      SER  21  -9.413  -0.562   3.878
  145    HB3  SER  21           2HB      SER  21  -7.959   0.352   4.313
  146    HG   SER  21           HG       SER  21  -9.890   1.619   3.759
  147    H    LYS  22           H        LYS  22  -8.377   0.946   0.387
  148    HA   LYS  22           HA       LYS  22  -5.788   2.017  -0.276
  149    HB2  LYS  22           1HB      LYS  22  -7.081   3.722  -1.542
  150    HB3  LYS  22           2HB      LYS  22  -7.475   2.062  -1.952
  151    HG2  LYS  22           1HG      LYS  22  -9.526   2.220  -0.481
  152    HG3  LYS  22           2HG      LYS  22  -9.155   3.925  -0.227
  153    HD2  LYS  22           1HD      LYS  22  -9.765   2.581  -2.896
  154    HD3  LYS  22           2HD      LYS  22 -10.881   3.572  -1.946
  155    HE2  LYS  22           1HE      LYS  22  -9.326   5.521  -2.191
  156    HE3  LYS  22           2HE      LYS  22  -8.274   4.528  -3.213
  157    HZ1  LYS  22           3HZ      LYS  22 -11.098   5.215  -3.839
  158    HZ2  LYS  22           1HZ      LYS  22 -10.130   4.295  -4.780
  159    HZ3  LYS  22           2HZ      LYS  22  -9.787   5.873  -4.551
  160    H    GLY  23           H        GLY  23  -8.169   2.986   2.133
  161    HA2  GLY  23           1HA      GLY  23  -7.034   5.583   2.759
  162    HA3  GLY  23           2HA      GLY  23  -8.073   4.592   3.793
  163    H    THR  24           H        THR  24  -6.591   2.293   4.173
  164    HA   THR  24           HA       THR  24  -4.571   2.992   6.063
  165    HB   THR  24           HB       THR  24  -4.886   0.310   4.664
  166    HG1  THR  24           1HG      THR  24  -6.255  -0.122   6.486
  167   HG21  THR  24          3HG2      THR  24  -4.054  -0.596   6.794
  168   HG22  THR  24          1HG2      THR  24  -3.921   1.047   7.464
  169   HG23  THR  24          2HG2      THR  24  -2.877   0.543   6.122
  170    H    LEU  25           H        LEU  25  -4.290   1.811   2.655
  171    HA   LEU  25           HA       LEU  25  -1.446   1.876   2.541
  172    HB2  LEU  25           1HB      LEU  25  -2.752   0.692   0.899
  173    HB3  LEU  25           2HB      LEU  25  -3.635   2.154   0.469
  174    HG   LEU  25           HG       LEU  25  -1.566   3.151  -0.479
  175   HD11  LEU  25          1HD1      LEU  25   0.146   1.944   0.863
  176   HD12  LEU  25          2HD1      LEU  25   0.418   1.733  -0.864
  177   HD13  LEU  25          3HD1      LEU  25  -0.324   0.424   0.077
  178   HD21  LEU  25          3HD2      LEU  25  -1.490   1.765  -2.466
  179   HD22  LEU  25          1HD2      LEU  25  -3.153   1.863  -1.855
  180   HD23  LEU  25          2HD2      LEU  25  -2.175   0.399  -1.572
  181    H    LYS  26           H        LYS  26  -3.849   4.515   1.831
  182    HA   LYS  26           HA       LYS  26  -1.933   6.436   0.986
  183    HB2  LYS  26           1HB      LYS  26  -4.340   6.711   0.690
  184    HB3  LYS  26           2HB      LYS  26  -4.581   6.860   2.438
  185    HG2  LYS  26           1HG      LYS  26  -3.193   8.892   2.492
  186    HG3  LYS  26           2HG      LYS  26  -2.864   8.745   0.764
  187    HD2  LYS  26           1HD      LYS  26  -5.618   9.173   2.013
  188    HD3  LYS  26           2HD      LYS  26  -4.594  10.448   1.336
  189    HE2  LYS  26           1HE      LYS  26  -4.657   9.307  -0.885
  190    HE3  LYS  26           2HE      LYS  26  -5.745   8.084  -0.215
  191    HZ1  LYS  26           3HZ      LYS  26  -7.352   9.865   0.240
  192    HZ2  LYS  26           1HZ      LYS  26  -6.981   9.839  -1.349
  193    HZ3  LYS  26           2HZ      LYS  26  -6.346  10.991  -0.384
  194    H    SER  27           H        SER  27  -3.178   5.857   4.307
  195    HA   SER  27           HA       SER  27  -1.479   7.678   5.665
  196    HB2  SER  27           1HB      SER  27  -2.635   5.029   6.609
  197    HB3  SER  27           2HB      SER  27  -1.887   6.249   7.658
  198    HG   SER  27           HG       SER  27  -4.176   6.475   7.553
  199    H    HIS  28           H        HIS  28  -0.657   4.569   4.270
  200    HA   HIS  28           HA       HIS  28   1.947   4.416   5.661
  201    HB2  HIS  28           1HB      HIS  28   0.803   2.339   5.237
  202    HB3  HIS  28           2HB      HIS  28   0.642   2.703   3.522
  203    HD1  HIS  28           1HD      HIS  28   3.424   1.843   6.060
  204    HD2  HIS  28           2HD      HIS  28   2.670   2.177   1.936
  205    HE1  HIS  28           1HE      HIS  28   5.508   0.970   4.904
  206    H    LYS  29           H        LYS  29   0.762   5.209   2.351
  207    HA   LYS  29           HA       LYS  29   3.326   5.628   1.157
  208    HB2  LYS  29           1HB      LYS  29   0.550   6.692   0.527
  209    HB3  LYS  29           2HB      LYS  29   1.972   7.111  -0.438
  210    HG2  LYS  29           1HG      LYS  29   2.419   4.715  -0.871
  211    HG3  LYS  29           2HG      LYS  29   0.972   4.266   0.040
  212    HD2  LYS  29           1HD      LYS  29  -0.462   5.450  -1.550
  213    HD3  LYS  29           2HD      LYS  29   0.960   6.102  -2.384
  214    HE2  LYS  29           1HE      LYS  29   1.671   3.795  -2.981
  215    HE3  LYS  29           2HE      LYS  29   0.195   3.168  -2.240
  216    HZ1  LYS  29           3HZ      LYS  29   0.283   5.035  -4.549
  217    HZ2  LYS  29           1HZ      LYS  29  -1.089   4.479  -3.861
  218    HZ3  LYS  29           2HZ      LYS  29  -0.083   3.450  -4.635
  219    H    LEU  30           H        LEU  30   1.363   7.850   3.098
  220    HA   LEU  30           HA       LEU  30   2.941  10.196   2.794
  221    HB2  LEU  30           1HB      LEU  30   1.368   9.091   5.152
  222    HB3  LEU  30           2HB      LEU  30   2.093  10.694   5.154
  223    HG   LEU  30           HG       LEU  30   0.006   9.795   3.124
  224   HD11  LEU  30          1HD1      LEU  30  -0.879   9.891   5.431
  225   HD12  LEU  30          2HD1      LEU  30  -1.551  11.178   4.416
  226   HD13  LEU  30          3HD1      LEU  30  -0.270  11.548   5.597
  227   HD21  LEU  30          3HD2      LEU  30  -0.208  12.231   2.685
  228   HD22  LEU  30          1HD2      LEU  30   1.386  11.612   2.245
  229   HD23  LEU  30          2HD2      LEU  30   1.184  12.531   3.754
  230    H    LEU  31           H        LEU  31   3.682   7.281   4.639
  231    HA   LEU  31           HA       LEU  31   5.845   8.464   6.181
  232    HB2  LEU  31           1HB      LEU  31   5.428   5.530   5.521
  233    HB3  LEU  31           2HB      LEU  31   6.382   6.202   6.831
  234    HG   LEU  31           HG       LEU  31   3.345   6.369   6.599
  235   HD11  LEU  31          1HD1      LEU  31   3.336   4.792   8.465
  236   HD12  LEU  31          2HD1      LEU  31   5.115   4.736   8.457
  237   HD13  LEU  31          3HD1      LEU  31   4.193   4.105   7.075
  238   HD21  LEU  31          3HD2      LEU  31   4.212   8.314   7.829
  239   HD22  LEU  31          1HD2      LEU  31   5.201   7.247   8.853
  240   HD23  LEU  31          2HD2      LEU  31   3.427   7.185   8.937
  241    H    HIS  32           H        HIS  32   5.624   7.336   2.898
  242    HA   HIS  32           HA       HIS  32   8.569   7.149   2.567
  243    HB2  HIS  32           1HB      HIS  32   6.251   6.773   0.640
  244    HB3  HIS  32           2HB      HIS  32   7.947   6.707   0.183
  245    HD1  HIS  32           1HD      HIS  32   9.421   4.675   1.397
  246    HD2  HIS  32           2HD      HIS  32   5.226   4.490   1.465
  247    HE1  HIS  32           1HE      HIS  32   8.848   2.250   1.855
  248    H    THR  33           H        THR  33   5.898   9.440   1.858
  249    HA   THR  33           HA       THR  33   7.656  11.187   0.287
  250    HB   THR  33           HB       THR  33   5.757  12.725   0.215
  251    HG1  THR  33           1HG      THR  33   3.833  12.147   1.137
  252   HG21  THR  33          3HG2      THR  33   5.924  10.878  -1.448
  253   HG22  THR  33          1HG2      THR  33   4.248  11.339  -1.110
  254   HG23  THR  33          2HG2      THR  33   4.917   9.855  -0.399
  255    H    ALA  34           H        ALA  34   6.569  11.077   3.666
  256    HA   ALA  34           HA       ALA  34   7.763  13.616   4.397
  257    HB1  ALA  34           1HB      ALA  34   5.957  12.562   5.701
  258    HB2  ALA  34           2HB      ALA  34   7.024  11.190   6.086
  259    HB3  ALA  34           3HB      ALA  34   7.404  12.815   6.696
  260    H    ASP  35           H        ASP  35   9.697  13.983   5.578
  261    HA   ASP  35           HA       ASP  35  11.967  12.378   4.718
  262    HB2  ASP  35           1HB      ASP  35  11.936  14.858   4.804
  263    HB3  ASP  35           2HB      ASP  35  11.801  14.790   6.561
  264    H    GLY  36           H        GLY  36  10.084  12.528   7.664
  265    HA2  GLY  36           1HA      GLY  36  11.198  10.172   8.837
  266    HA3  GLY  36           2HA      GLY  36  11.908  11.586   9.617
  Start of MODEL    7
    1    H1   GLY   1           1H       GLY   1  -6.973 -23.126  -9.559
    2    H2   GLY   1           2H       GLY   1  -8.217 -22.897  -8.517
    3    H3   GLY   1           3H       GLY   1  -6.774 -23.433  -7.961
    4    HA2  GLY   1           1HA      GLY   1  -5.702 -21.359  -8.535
    5    HA3  GLY   1           2HA      GLY   1  -7.259 -20.778  -9.152
    6    H    SER   2           H        SER   2  -5.895 -19.344  -7.231
    7    HA   SER   2           HA       SER   2  -6.620 -19.914  -4.527
    8    HB2  SER   2           1HB      SER   2  -5.934 -17.242  -5.806
    9    HB3  SER   2           2HB      SER   2  -5.911 -17.617  -4.072
   10    HG   SER   2           HG       SER   2  -3.822 -17.783  -5.034
   11    H    SER   3           H        SER   3  -8.144 -18.979  -3.140
   12    HA   SER   3           HA       SER   3 -10.773 -18.573  -4.155
   13    HB2  SER   3           1HB      SER   3  -9.653 -17.887  -1.410
   14    HB3  SER   3           2HB      SER   3 -11.369 -18.057  -1.832
   15    HG   SER   3           HG       SER   3 -10.504 -19.979  -0.904
   16    H    GLY   4           H        GLY   4 -12.089 -16.765  -4.340
   17    HA2  GLY   4           1HA      GLY   4 -10.971 -14.357  -5.272
   18    HA3  GLY   4           2HA      GLY   4 -12.657 -14.588  -4.797
   19    H    SER   5           H        SER   5 -11.979 -15.160  -1.960
   20    HA   SER   5           HA       SER   5 -11.984 -12.579  -0.798
   21    HB2  SER   5           1HB      SER   5 -11.150 -15.204   0.495
   22    HB3  SER   5           2HB      SER   5 -11.732 -13.746   1.323
   23    HG   SER   5           HG       SER   5 -13.403 -15.295   1.046
   24    H    SER   6           H        SER   6  -9.241 -14.470  -1.860
   25    HA   SER   6           HA       SER   6  -7.283 -12.904  -0.292
   26    HB2  SER   6           1HB      SER   6  -6.863 -15.105  -2.340
   27    HB3  SER   6           2HB      SER   6  -5.625 -14.386  -1.295
   28    HG   SER   6           HG       SER   6  -6.429 -16.341  -0.418
   29    H    GLY   7           H        GLY   7  -8.980 -12.312  -3.109
   30    HA2  GLY   7           1HA      GLY   7  -6.801 -11.044  -4.659
   31    HA3  GLY   7           2HA      GLY   7  -8.491 -11.201  -5.118
   32    H    LYS   8           H        LYS   8  -7.505  -8.925  -5.697
   33    HA   LYS   8           HA       LYS   8  -7.685  -6.669  -5.592
   34    HB2  LYS   8           1HB      LYS   8 -10.117  -7.249  -3.866
   35    HB3  LYS   8           2HB      LYS   8  -9.817  -5.777  -4.786
   36    HG2  LYS   8           1HG      LYS   8 -10.286  -8.517  -6.002
   37    HG3  LYS   8           2HG      LYS   8 -11.435  -7.183  -5.870
   38    HD2  LYS   8           1HD      LYS   8  -9.652  -5.772  -7.156
   39    HD3  LYS   8           2HD      LYS   8  -8.936  -7.327  -7.607
   40    HE2  LYS   8           1HE      LYS   8 -11.842  -6.514  -8.005
   41    HE3  LYS   8           2HE      LYS   8 -10.596  -6.331  -9.248
   42    HZ1  LYS   8           3HZ      LYS   8 -11.468  -8.928  -8.089
   43    HZ2  LYS   8           1HZ      LYS   8 -10.293  -8.754  -9.216
   44    HZ3  LYS   8           2HZ      LYS   8 -11.837  -8.384  -9.580
   45    H    THR   9           H        THR   9  -6.066  -7.874  -3.334
   46    HA   THR   9           HA       THR   9  -6.156  -6.082  -1.115
   47    HB   THR   9           HB       THR   9  -3.599  -7.360  -2.126
   48    HG1  THR   9           1HG      THR   9  -4.262  -9.249  -1.098
   49   HG21  THR   9          3HG2      THR   9  -3.386  -6.030  -0.078
   50   HG22  THR   9          1HG2      THR   9  -3.258  -7.749   0.321
   51   HG23  THR   9          2HG2      THR   9  -4.768  -6.877   0.655
   52    H    HIS  10           H        HIS  10  -5.012  -4.166  -0.644
   53    HA   HIS  10           HA       HIS  10  -4.088  -2.589  -2.971
   54    HB2  HIS  10           1HB      HIS  10  -4.426  -1.832  -0.047
   55    HB3  HIS  10           2HB      HIS  10  -3.994  -0.740  -1.354
   56    HD1  HIS  10           1HD      HIS  10  -5.973   0.075  -2.959
   57    HD2  HIS  10           2HD      HIS  10  -7.020  -2.750  -0.026
   58    HE1  HIS  10           1HE      HIS  10  -8.524   0.046  -2.871
   59    H    LEU  11           H        LEU  11  -1.943  -1.829  -3.214
   60    HA   LEU  11           HA       LEU  11   0.141  -3.142  -1.523
   61    HB2  LEU  11           1HB      LEU  11  -0.251  -4.632  -3.307
   62    HB3  LEU  11           2HB      LEU  11  -0.336  -3.328  -4.500
   63    HG   LEU  11           HG       LEU  11   2.117  -2.925  -4.213
   64   HD11  LEU  11          1HD1      LEU  11   2.032  -5.501  -2.584
   65   HD12  LEU  11          2HD1      LEU  11   2.418  -3.895  -1.931
   66   HD13  LEU  11          3HD1      LEU  11   3.487  -4.641  -3.120
   67   HD21  LEU  11          3HD2      LEU  11   1.316  -5.773  -4.923
   68   HD22  LEU  11          1HD2      LEU  11   2.810  -4.946  -5.426
   69   HD23  LEU  11          2HD2      LEU  11   1.241  -4.364  -6.007
   70    H    CYS  12           H        CYS  12   1.831  -2.006  -1.043
   71    HA   CYS  12           HA       CYS  12   2.278   0.720  -2.021
   72    HB2  CYS  12           1HB      CYS  12   2.516  -0.157   0.370
   73    HB3  CYS  12           2HB      CYS  12   3.958  -1.006  -0.171
   74    H    ASP  13           H        ASP  13   3.276   0.993  -3.965
   75    HA   ASP  13           HA       ASP  13   5.122  -0.973  -5.077
   76    HB2  ASP  13           1HB      ASP  13   5.252   0.527  -6.970
   77    HB3  ASP  13           2HB      ASP  13   3.580   0.250  -6.507
   78    H    MET  14           H        MET  14   5.555   1.324  -2.684
   79    HA   MET  14           HA       MET  14   8.275   2.200  -3.414
   80    HB2  MET  14           1HB      MET  14   6.722   2.492  -0.839
   81    HB3  MET  14           2HB      MET  14   8.216   3.308  -1.223
   82    HG2  MET  14           1HG      MET  14   5.580   3.692  -2.711
   83    HG3  MET  14           2HG      MET  14   6.146   4.696  -1.386
   84    HE1  MET  14           3HE      MET  14   5.152   6.019  -3.919
   85    HE2  MET  14           1HE      MET  14   5.863   6.868  -2.529
   86    HE3  MET  14           2HE      MET  14   6.413   7.248  -4.179
   87    H    CYS  15           H        CYS  15   6.783  -0.030  -1.045
   88    HA   CYS  15           HA       CYS  15   9.461  -1.159  -0.373
   89    HB2  CYS  15           1HB      CYS  15   8.794  -1.332   1.929
   90    HB3  CYS  15           2HB      CYS  15   8.780   0.337   1.366
   91    H    GLY  16           H        GLY  16   6.175  -1.859  -1.279
   92    HA2  GLY  16           1HA      GLY  16   5.525  -3.910  -2.229
   93    HA3  GLY  16           2HA      GLY  16   6.823  -4.747  -1.391
   94    H    LYS  17           H        LYS  17   5.218  -2.816   0.878
   95    HA   LYS  17           HA       LYS  17   3.901  -5.071   2.159
   96    HB2  LYS  17           1HB      LYS  17   3.877  -2.082   2.746
   97    HB3  LYS  17           2HB      LYS  17   3.086  -3.296   3.757
   98    HG2  LYS  17           1HG      LYS  17   5.262  -4.439   4.110
   99    HG3  LYS  17           2HG      LYS  17   6.071  -3.208   3.124
  100    HD2  LYS  17           1HD      LYS  17   5.245  -1.453   4.716
  101    HD3  LYS  17           2HD      LYS  17   4.600  -2.726   5.758
  102    HE2  LYS  17           1HE      LYS  17   7.526  -2.414   4.928
  103    HE3  LYS  17           2HE      LYS  17   6.848  -1.829   6.449
  104    HZ1  LYS  17           3HZ      LYS  17   6.956  -4.681   5.627
  105    HZ2  LYS  17           1HZ      LYS  17   6.289  -4.136   7.018
  106    HZ3  LYS  17           2HZ      LYS  17   7.891  -3.979   6.761
  107    H    LYS  18           H        LYS  18   1.839  -5.578   2.429
  108    HA   LYS  18           HA       LYS  18  -0.143  -4.437   0.515
  109    HB2  LYS  18           1HB      LYS  18   0.338  -7.201   1.629
  110    HB3  LYS  18           2HB      LYS  18  -1.244  -6.749   1.005
  111    HG2  LYS  18           1HG      LYS  18  -0.369  -6.219  -1.180
  112    HG3  LYS  18           2HG      LYS  18   1.301  -6.383  -0.615
  113    HD2  LYS  18           1HD      LYS  18   0.933  -8.780  -0.151
  114    HD3  LYS  18           2HD      LYS  18  -0.744  -8.639  -0.726
  115    HE2  LYS  18           1HE      LYS  18   0.086  -7.926  -2.960
  116    HE3  LYS  18           2HE      LYS  18   1.754  -8.048  -2.385
  117    HZ1  LYS  18           3HZ      LYS  18  -0.150 -10.325  -2.568
  118    HZ2  LYS  18           1HZ      LYS  18   1.391 -10.434  -2.037
  119    HZ3  LYS  18           2HZ      LYS  18   1.089 -10.046  -3.592
  120    H    PHE  19           H        PHE  19  -2.168  -3.948   1.077
  121    HA   PHE  19           HA       PHE  19  -2.876  -3.711   3.969
  122    HB2  PHE  19           1HB      PHE  19  -2.910  -1.527   1.854
  123    HB3  PHE  19           2HB      PHE  19  -3.554  -1.357   3.477
  124    HD1  PHE  19           2HD      PHE  19  -2.022  -1.452   5.475
  125    HD2  PHE  19           1HD      PHE  19  -0.510  -1.459   1.442
  126    HE1  PHE  19           2HE      PHE  19   0.238  -0.864   6.323
  127    HE2  PHE  19           1HE      PHE  19   1.748  -0.894   2.289
  128    HZ   PHE  19           HZ       PHE  19   2.131  -0.602   4.730
  129    H    LYS  20           H        LYS  20  -5.046  -3.455   4.481
  130    HA   LYS  20           HA       LYS  20  -6.903  -4.869   2.742
  131    HB2  LYS  20           1HB      LYS  20  -6.642  -5.173   5.218
  132    HB3  LYS  20           2HB      LYS  20  -7.371  -3.578   5.459
  133    HG2  LYS  20           1HG      LYS  20  -9.485  -4.357   4.493
  134    HG3  LYS  20           2HG      LYS  20  -8.731  -5.873   3.976
  135    HD2  LYS  20           1HD      LYS  20 -10.089  -6.274   5.931
  136    HD3  LYS  20           2HD      LYS  20  -8.386  -6.517   6.344
  137    HE2  LYS  20           1HE      LYS  20  -8.314  -4.259   7.382
  138    HE3  LYS  20           2HE      LYS  20 -10.001  -3.988   6.922
  139    HZ1  LYS  20           3HZ      LYS  20  -9.063  -6.109   8.782
  140    HZ2  LYS  20           1HZ      LYS  20 -10.621  -5.856   8.361
  141    HZ3  LYS  20           2HZ      LYS  20  -9.817  -4.733   9.227
  142    H    SER  21           H        SER  21  -6.240  -1.518   3.183
  143    HA   SER  21           HA       SER  21  -8.506  -0.780   1.421
  144    HB2  SER  21           1HB      SER  21  -9.424  -0.446   3.639
  145    HB3  SER  21           2HB      SER  21  -7.995   0.472   4.142
  146    HG   SER  21           HG       SER  21  -9.884   1.735   3.462
  147    H    LYS  22           H        LYS  22  -8.186   1.025   0.202
  148    HA   LYS  22           HA       LYS  22  -5.559   2.061  -0.346
  149    HB2  LYS  22           1HB      LYS  22  -6.783   3.807  -1.648
  150    HB3  LYS  22           2HB      LYS  22  -7.166   2.155  -2.094
  151    HG2  LYS  22           1HG      LYS  22  -9.302   2.271  -0.848
  152    HG3  LYS  22           2HG      LYS  22  -8.911   3.917  -0.322
  153    HD2  LYS  22           1HD      LYS  22  -8.889   4.670  -2.686
  154    HD3  LYS  22           2HD      LYS  22  -9.271   3.016  -3.214
  155    HE2  LYS  22           1HE      LYS  22 -11.385   3.093  -1.905
  156    HE3  LYS  22           2HE      LYS  22 -11.004   4.737  -1.379
  157    HZ1  LYS  22           3HZ      LYS  22 -12.510   4.744  -3.283
  158    HZ2  LYS  22           1HZ      LYS  22 -11.451   3.913  -4.201
  159    HZ3  LYS  22           2HZ      LYS  22 -11.098   5.433  -3.717
  160    H    GLY  23           H        GLY  23  -8.023   3.071   1.964
  161    HA2  GLY  23           1HA      GLY  23  -6.897   5.656   2.632
  162    HA3  GLY  23           2HA      GLY  23  -7.967   4.667   3.638
  163    H    THR  24           H        THR  24  -6.507   2.370   4.071
  164    HA   THR  24           HA       THR  24  -4.545   3.074   6.019
  165    HB   THR  24           HB       THR  24  -4.805   0.382   4.628
  166    HG1  THR  24           1HG      THR  24  -6.269  -0.043   6.373
  167   HG21  THR  24          3HG2      THR  24  -2.873   0.645   6.184
  168   HG22  THR  24          1HG2      THR  24  -4.074  -0.502   6.801
  169   HG23  THR  24          2HG2      THR  24  -3.991   1.148   7.469
  170    H    LEU  25           H        LEU  25  -4.162   1.837   2.645
  171    HA   LEU  25           HA       LEU  25  -1.323   1.850   2.589
  172    HB2  LEU  25           1HB      LEU  25  -2.647   0.708   0.921
  173    HB3  LEU  25           2HB      LEU  25  -3.469   2.201   0.481
  174    HG   LEU  25           HG       LEU  25  -1.338   3.120  -0.425
  175   HD11  LEU  25          1HD1      LEU  25   0.277   1.780   0.933
  176   HD12  LEU  25          2HD1      LEU  25   0.574   1.631  -0.799
  177   HD13  LEU  25          3HD1      LEU  25  -0.243   0.318   0.066
  178   HD21  LEU  25          3HD2      LEU  25  -2.963   1.937  -1.848
  179   HD22  LEU  25          1HD2      LEU  25  -2.068   0.419  -1.578
  180   HD23  LEU  25          2HD2      LEU  25  -1.294   1.772  -2.428
  181    H    LYS  26           H        LYS  26  -3.647   4.531   1.837
  182    HA   LYS  26           HA       LYS  26  -1.652   6.423   1.070
  183    HB2  LYS  26           1HB      LYS  26  -4.020   6.710   0.572
  184    HB3  LYS  26           2HB      LYS  26  -4.406   6.877   2.293
  185    HG2  LYS  26           1HG      LYS  26  -3.015   8.900   2.448
  186    HG3  LYS  26           2HG      LYS  26  -2.538   8.737   0.754
  187    HD2  LYS  26           1HD      LYS  26  -5.388   9.197   1.753
  188    HD3  LYS  26           2HD      LYS  26  -4.295  10.458   1.160
  189    HE2  LYS  26           1HE      LYS  26  -4.165   9.288  -1.047
  190    HE3  LYS  26           2HE      LYS  26  -5.330   8.091  -0.465
  191    HZ1  LYS  26           3HZ      LYS  26  -6.942   9.903  -0.179
  192    HZ2  LYS  26           1HZ      LYS  26  -6.429   9.848  -1.727
  193    HZ3  LYS  26           2HZ      LYS  26  -5.864  11.003  -0.725
  194    H    SER  27           H        SER  27  -3.164   5.924   4.305
  195    HA   SER  27           HA       SER  27  -1.578   7.797   5.726
  196    HB2  SER  27           1HB      SER  27  -2.818   5.179   6.655
  197    HB3  SER  27           2HB      SER  27  -2.132   6.414   7.730
  198    HG   SER  27           HG       SER  27  -4.407   6.658   7.453
  199    H    HIS  28           H        HIS  28  -0.716   4.599   4.574
  200    HA   HIS  28           HA       HIS  28   1.808   4.467   6.089
  201    HB2  HIS  28           1HB      HIS  28   0.785   2.382   5.629
  202    HB3  HIS  28           2HB      HIS  28   0.515   2.772   3.937
  203    HD1  HIS  28           1HD      HIS  28   3.519   1.988   6.256
  204    HD2  HIS  28           2HD      HIS  28   2.363   2.160   2.218
  205    HE1  HIS  28           1HE      HIS  28   5.483   1.072   4.937
  206    H    LYS  29           H        LYS  29   0.862   5.211   2.684
  207    HA   LYS  29           HA       LYS  29   3.520   5.636   1.745
  208    HB2  LYS  29           1HB      LYS  29   0.765   6.364   0.742
  209    HB3  LYS  29           2HB      LYS  29   2.191   7.064  -0.037
  210    HG2  LYS  29           1HG      LYS  29   3.154   4.826  -0.382
  211    HG3  LYS  29           2HG      LYS  29   1.715   4.072   0.331
  212    HD2  LYS  29           1HD      LYS  29   0.321   4.814  -1.481
  213    HD3  LYS  29           2HD      LYS  29   1.557   5.955  -2.060
  214    HE2  LYS  29           1HE      LYS  29   3.080   4.069  -2.566
  215    HE3  LYS  29           2HE      LYS  29   1.846   2.916  -2.063
  216    HZ1  LYS  29           3HZ      LYS  29   1.979   3.365  -4.509
  217    HZ2  LYS  29           1HZ      LYS  29   1.463   4.885  -4.261
  218    HZ3  LYS  29           2HZ      LYS  29   0.468   3.630  -3.902
  219    H    LEU  30           H        LEU  30   1.476   7.876   3.496
  220    HA   LEU  30           HA       LEU  30   2.971  10.258   3.098
  221    HB2  LEU  30           1HB      LEU  30   1.527   9.159   5.531
  222    HB3  LEU  30           2HB      LEU  30   2.220  10.776   5.485
  223    HG   LEU  30           HG       LEU  30   0.072   9.803   3.553
  224   HD11  LEU  30          1HD1      LEU  30  -0.689   9.934   5.905
  225   HD12  LEU  30          2HD1      LEU  30  -1.449  11.175   4.889
  226   HD13  LEU  30          3HD1      LEU  30  -0.121  11.613   5.992
  227   HD21  LEU  30          3HD2      LEU  30  -0.198  12.233   3.077
  228   HD22  LEU  30          1HD2      LEU  30   1.376  11.623   2.565
  229   HD23  LEU  30          2HD2      LEU  30   1.241  12.572   4.065
  230    H    LEU  31           H        LEU  31   3.883   7.392   4.904
  231    HA   LEU  31           HA       LEU  31   6.148   8.625   6.272
  232    HB2  LEU  31           1HB      LEU  31   5.620   5.680   5.757
  233    HB3  LEU  31           2HB      LEU  31   6.704   6.367   6.952
  234    HG   LEU  31           HG       LEU  31   3.659   6.626   6.994
  235   HD11  LEU  31          1HD1      LEU  31   5.548   4.972   8.714
  236   HD12  LEU  31          2HD1      LEU  31   4.462   4.346   7.452
  237   HD13  LEU  31          3HD1      LEU  31   3.784   5.102   8.904
  238   HD21  LEU  31          3HD2      LEU  31   4.707   8.568   8.081
  239   HD22  LEU  31          1HD2      LEU  31   5.753   7.492   9.036
  240   HD23  LEU  31          2HD2      LEU  31   3.993   7.496   9.290
  241    H    HIS  32           H        HIS  32   5.687   7.328   3.059
  242    HA   HIS  32           HA       HIS  32   8.604   7.129   2.531
  243    HB2  HIS  32           1HB      HIS  32   6.204   6.721   0.708
  244    HB3  HIS  32           2HB      HIS  32   7.886   6.530   0.239
  245    HD1  HIS  32           1HD      HIS  32   9.198   4.582   2.046
  246    HD2  HIS  32           2HD      HIS  32   5.133   4.419   1.031
  247    HE1  HIS  32           1HE      HIS  32   8.509   2.158   2.358
  248    H    THR  33           H        THR  33   5.786   9.154   1.558
  249    HA   THR  33           HA       THR  33   7.536  11.478   1.225
  250    HB   THR  33           HB       THR  33   7.748  10.356  -0.962
  251    HG1  THR  33           1HG      THR  33   7.300  12.204  -2.131
  252   HG21  THR  33          3HG2      THR  33   4.788  10.955  -1.381
  253   HG22  THR  33          1HG2      THR  33   5.468   9.332  -1.133
  254   HG23  THR  33          2HG2      THR  33   5.931  10.274  -2.557
  255    H    ALA  34           H        ALA  34   6.445  13.457   1.283
  256    HA   ALA  34           HA       ALA  34   3.884  13.380   2.651
  257    HB1  ALA  34           1HB      ALA  34   4.227  15.806   2.862
  258    HB2  ALA  34           2HB      ALA  34   5.691  14.914   3.314
  259    HB3  ALA  34           3HB      ALA  34   5.596  15.725   1.733
  260    H    ASP  35           H        ASP  35   1.999  14.610   2.072
  261    HA   ASP  35           HA       ASP  35   1.589  15.326  -0.769
  262    HB2  ASP  35           1HB      ASP  35   0.911  12.952  -0.570
  263    HB3  ASP  35           2HB      ASP  35  -0.176  13.370   0.755
  264    H    GLY  36           H        GLY  36   0.028  16.892  -1.108
  265    HA2  GLY  36           1HA      GLY  36  -1.949  17.893   0.611
  266    HA3  GLY  36           2HA      GLY  36  -0.475  18.764   1.030
  Start of MODEL    8
    1    H1   GLY   1           1H       GLY   1 -18.119  -7.289 -15.082
    2    H2   GLY   1           2H       GLY   1 -17.272  -7.085 -13.693
    3    H3   GLY   1           3H       GLY   1 -18.642  -6.227 -13.950
    4    HA2  GLY   1           1HA      GLY   1 -19.990  -8.216 -13.881
    5    HA3  GLY   1           2HA      GLY   1 -18.507  -9.159 -13.632
    6    H    SER   2           H        SER   2 -20.958  -8.784 -11.926
    7    HA   SER   2           HA       SER   2 -20.571  -7.029  -9.795
    8    HB2  SER   2           1HB      SER   2 -22.030  -9.695  -9.727
    9    HB3  SER   2           2HB      SER   2 -22.301  -8.308  -8.655
   10    HG   SER   2           HG       SER   2 -23.819  -8.373 -10.380
   11    H    SER   3           H        SER   3 -18.997 -10.137 -10.187
   12    HA   SER   3           HA       SER   3 -18.259 -10.571  -7.436
   13    HB2  SER   3           1HB      SER   3 -16.889 -11.541  -9.972
   14    HB3  SER   3           2HB      SER   3 -16.702 -12.213  -8.341
   15    HG   SER   3           HG       SER   3 -18.210 -13.409  -9.597
   16    H    GLY   4           H        GLY   4 -17.096  -8.234  -9.682
   17    HA2  GLY   4           1HA      GLY   4 -15.489  -6.596  -9.429
   18    HA3  GLY   4           2HA      GLY   4 -15.038  -7.268  -7.867
   19    H    SER   5           H        SER   5 -12.961  -6.416  -8.991
   20    HA   SER   5           HA       SER   5 -11.636  -7.973 -10.994
   21    HB2  SER   5           1HB      SER   5 -10.455  -6.168  -8.849
   22    HB3  SER   5           2HB      SER   5  -9.630  -6.734 -10.315
   23    HG   SER   5           HG       SER   5 -10.517  -4.628 -10.576
   24    H    SER   6           H        SER   6  -9.857  -9.419 -10.829
   25    HA   SER   6           HA       SER   6 -10.083 -11.442  -8.850
   26    HB2  SER   6           1HB      SER   6  -7.750 -10.914 -10.729
   27    HB3  SER   6           2HB      SER   6  -8.132 -12.442  -9.913
   28    HG   SER   6           HG       SER   6  -8.910 -12.393 -12.078
   29    H    GLY   7           H        GLY   7  -7.853  -8.681  -9.029
   30    HA2  GLY   7           1HA      GLY   7  -6.367  -9.458  -6.590
   31    HA3  GLY   7           2HA      GLY   7  -6.150  -7.994  -7.544
   32    H    LYS   8           H        LYS   8  -7.118  -9.018  -4.614
   33    HA   LYS   8           HA       LYS   8  -8.982  -6.726  -4.128
   34    HB2  LYS   8           1HB      LYS   8  -9.315  -9.573  -3.090
   35    HB3  LYS   8           2HB      LYS   8 -10.291  -8.172  -2.607
   36    HG2  LYS   8           1HG      LYS   8 -10.965  -7.848  -4.980
   37    HG3  LYS   8           2HG      LYS   8 -10.138  -9.368  -5.388
   38    HD2  LYS   8           1HD      LYS   8 -11.603 -10.622  -3.867
   39    HD3  LYS   8           2HD      LYS   8 -12.385  -9.108  -3.335
   40    HE2  LYS   8           1HE      LYS   8 -13.039  -8.640  -5.674
   41    HE3  LYS   8           2HE      LYS   8 -12.317 -10.169  -6.186
   42    HZ1  LYS   8           3HZ      LYS   8 -14.584  -9.937  -4.274
   43    HZ2  LYS   8           1HZ      LYS   8 -13.950 -11.341  -4.831
   44    HZ3  LYS   8           2HZ      LYS   8 -14.737 -10.324  -5.854
   45    H    THR   9           H        THR   9  -6.158  -6.791  -3.730
   46    HA   THR   9           HA       THR   9  -6.081  -6.027  -0.847
   47    HB   THR   9           HB       THR   9  -3.690  -7.340  -2.180
   48    HG1  THR   9           1HG      THR   9  -5.653  -8.588  -0.547
   49   HG21  THR   9          3HG2      THR   9  -3.077  -7.811   0.194
   50   HG22  THR   9          1HG2      THR   9  -4.485  -6.870   0.730
   51   HG23  THR   9          2HG2      THR   9  -3.166  -6.082  -0.165
   52    H    HIS  10           H        HIS  10  -4.887  -4.174  -0.412
   53    HA   HIS  10           HA       HIS  10  -4.111  -2.539  -2.770
   54    HB2  HIS  10           1HB      HIS  10  -4.504  -1.813   0.154
   55    HB3  HIS  10           2HB      HIS  10  -4.098  -0.690  -1.137
   56    HD1  HIS  10           1HD      HIS  10  -6.089   0.071  -2.748
   57    HD2  HIS  10           2HD      HIS  10  -7.048  -2.900   0.071
   58    HE1  HIS  10           1HE      HIS  10  -8.634  -0.113  -2.739
   59    H    LEU  11           H        LEU  11  -1.985  -1.797  -3.092
   60    HA   LEU  11           HA       LEU  11   0.128  -3.089  -1.411
   61    HB2  LEU  11           1HB      LEU  11  -0.329  -4.555  -3.206
   62    HB3  LEU  11           2HB      LEU  11  -0.400  -3.234  -4.380
   63    HG   LEU  11           HG       LEU  11   2.070  -2.880  -4.093
   64   HD11  LEU  11          1HD1      LEU  11   3.400  -4.681  -3.077
   65   HD12  LEU  11          2HD1      LEU  11   1.924  -5.517  -2.564
   66   HD13  LEU  11          3HD1      LEU  11   2.360  -3.948  -1.855
   67   HD21  LEU  11          3HD2      LEU  11   2.702  -4.866  -5.389
   68   HD22  LEU  11          1HD2      LEU  11   1.156  -4.202  -5.938
   69   HD23  LEU  11          2HD2      LEU  11   1.178  -5.665  -4.922
   70    H    CYS  12           H        CYS  12   1.852  -1.993  -0.958
   71    HA   CYS  12           HA       CYS  12   2.357   0.738  -1.840
   72    HB2  CYS  12           1HB      CYS  12   2.852  -0.113   0.437
   73    HB3  CYS  12           2HB      CYS  12   4.016  -1.251  -0.253
   74    H    ASP  13           H        ASP  13   3.304   1.230  -3.720
   75    HA   ASP  13           HA       ASP  13   4.807  -0.741  -5.301
   76    HB2  ASP  13           1HB      ASP  13   3.182   0.867  -6.275
   77    HB3  ASP  13           2HB      ASP  13   4.239   2.201  -5.802
   78    H    MET  14           H        MET  14   5.644   1.148  -2.686
   79    HA   MET  14           HA       MET  14   8.324   1.977  -3.696
   80    HB2  MET  14           1HB      MET  14   6.820   2.800  -1.197
   81    HB3  MET  14           2HB      MET  14   8.317   3.489  -1.802
   82    HG2  MET  14           1HG      MET  14   7.122   4.234  -3.855
   83    HG3  MET  14           2HG      MET  14   5.615   3.593  -3.183
   84    HE1  MET  14           3HE      MET  14   4.255   5.726  -3.328
   85    HE2  MET  14           1HE      MET  14   4.855   7.337  -2.873
   86    HE3  MET  14           2HE      MET  14   5.630   6.440  -4.205
   87    H    CYS  15           H        CYS  15   6.840   0.117  -1.044
   88    HA   CYS  15           HA       CYS  15   9.463  -1.196  -0.593
   89    HB2  CYS  15           1HB      CYS  15   9.273  -1.196   1.756
   90    HB3  CYS  15           2HB      CYS  15   9.231   0.446   1.148
   91    H    GLY  16           H        GLY  16   6.352  -1.710  -1.541
   92    HA2  GLY  16           1HA      GLY  16   5.529  -3.737  -2.329
   93    HA3  GLY  16           2HA      GLY  16   6.850  -4.576  -1.537
   94    H    LYS  17           H        LYS  17   5.125  -2.705   0.720
   95    HA   LYS  17           HA       LYS  17   4.000  -5.056   2.039
   96    HB2  LYS  17           1HB      LYS  17   3.891  -2.083   2.696
   97    HB3  LYS  17           2HB      LYS  17   3.268  -3.362   3.747
   98    HG2  LYS  17           1HG      LYS  17   5.526  -4.358   3.921
   99    HG3  LYS  17           2HG      LYS  17   6.156  -3.135   2.805
  100    HD2  LYS  17           1HD      LYS  17   5.473  -1.350   4.433
  101    HD3  LYS  17           2HD      LYS  17   4.984  -2.613   5.566
  102    HE2  LYS  17           1HE      LYS  17   7.209  -1.740   6.110
  103    HE3  LYS  17           2HE      LYS  17   7.288  -3.455   5.694
  104    HZ1  LYS  17           3HZ      LYS  17   7.860  -1.319   3.702
  105    HZ2  LYS  17           1HZ      LYS  17   8.197  -2.900   3.572
  106    HZ3  LYS  17           2HZ      LYS  17   9.037  -1.993   4.641
  107    H    LYS  18           H        LYS  18   1.950  -5.605   2.440
  108    HA   LYS  18           HA       LYS  18  -0.135  -4.522   0.607
  109    HB2  LYS  18           1HB      LYS  18   0.462  -7.249   1.742
  110    HB3  LYS  18           2HB      LYS  18  -1.179  -6.847   1.255
  111    HG2  LYS  18           1HG      LYS  18  -0.514  -6.341  -1.008
  112    HG3  LYS  18           2HG      LYS  18   1.201  -6.442  -0.593
  113    HD2  LYS  18           1HD      LYS  18   0.954  -8.841  -0.060
  114    HD3  LYS  18           2HD      LYS  18  -0.773  -8.763  -0.478
  115    HE2  LYS  18           1HE      LYS  18  -0.176  -8.065  -2.791
  116    HE3  LYS  18           2HE      LYS  18   1.541  -8.136  -2.373
  117    HZ1  LYS  18           3HZ      LYS  18   1.272 -10.524  -1.952
  118    HZ2  LYS  18           1HZ      LYS  18   0.816 -10.173  -3.478
  119    HZ3  LYS  18           2HZ      LYS  18  -0.315 -10.460  -2.337
  120    H    PHE  19           H        PHE  19  -2.112  -3.996   1.233
  121    HA   PHE  19           HA       PHE  19  -2.737  -3.688   4.133
  122    HB2  PHE  19           1HB      PHE  19  -2.819  -1.572   1.950
  123    HB3  PHE  19           2HB      PHE  19  -3.408  -1.339   3.585
  124    HD1  PHE  19           2HD      PHE  19  -1.764  -1.565   5.550
  125    HD2  PHE  19           1HD      PHE  19  -0.477  -1.387   1.441
  126    HE1  PHE  19           2HE      PHE  19   0.537  -1.006   6.296
  127    HE2  PHE  19           1HE      PHE  19   1.819  -0.843   2.190
  128    HZ   PHE  19           HZ       PHE  19   2.337  -0.662   4.617
  129    H    LYS  20           H        LYS  20  -4.873  -3.324   4.693
  130    HA   LYS  20           HA       LYS  20  -6.793  -4.904   3.229
  131    HB2  LYS  20           1HB      LYS  20  -8.214  -4.551   5.165
  132    HB3  LYS  20           2HB      LYS  20  -6.571  -4.931   5.679
  133    HG2  LYS  20           1HG      LYS  20  -6.157  -2.487   6.093
  134    HG3  LYS  20           2HG      LYS  20  -7.830  -2.143   5.616
  135    HD2  LYS  20           1HD      LYS  20  -8.657  -3.554   7.473
  136    HD3  LYS  20           2HD      LYS  20  -6.980  -3.904   7.953
  137    HE2  LYS  20           1HE      LYS  20  -6.575  -1.474   8.295
  138    HE3  LYS  20           2HE      LYS  20  -8.239  -1.125   7.818
  139    HZ1  LYS  20           3HZ      LYS  20  -8.017  -1.218  10.235
  140    HZ2  LYS  20           1HZ      LYS  20  -7.456  -2.748  10.184
  141    HZ3  LYS  20           2HZ      LYS  20  -8.995  -2.425   9.741
  142    H    SER  21           H        SER  21  -6.217  -1.497   3.205
  143    HA   SER  21           HA       SER  21  -8.569  -0.997   1.481
  144    HB2  SER  21           1HB      SER  21  -9.484  -0.642   3.699
  145    HB3  SER  21           2HB      SER  21  -8.115   0.385   4.152
  146    HG   SER  21           HG       SER  21 -10.094   1.497   3.463
  147    H    LYS  22           H        LYS  22  -8.431   0.922   0.296
  148    HA   LYS  22           HA       LYS  22  -5.846   2.011  -0.376
  149    HB2  LYS  22           1HB      LYS  22  -7.178   3.749  -1.594
  150    HB3  LYS  22           2HB      LYS  22  -7.510   2.091  -2.059
  151    HG2  LYS  22           1HG      LYS  22  -9.602   2.088  -0.754
  152    HG3  LYS  22           2HG      LYS  22  -9.262   3.729  -0.182
  153    HD2  LYS  22           1HD      LYS  22  -9.354   4.566  -2.514
  154    HD3  LYS  22           2HD      LYS  22  -9.679   2.915  -3.091
  155    HE2  LYS  22           1HE      LYS  22 -11.751   2.849  -1.714
  156    HE3  LYS  22           2HE      LYS  22 -11.427   4.491  -1.144
  157    HZ1  LYS  22           3HZ      LYS  22 -11.928   3.741  -3.979
  158    HZ2  LYS  22           1HZ      LYS  22 -11.628   5.260  -3.452
  159    HZ3  LYS  22           2HZ      LYS  22 -12.994   4.492  -2.999
  160    H    GLY  23           H        GLY  23  -8.227   2.953   2.055
  161    HA2  GLY  23           1HA      GLY  23  -7.040   5.518   2.732
  162    HA3  GLY  23           2HA      GLY  23  -8.107   4.537   3.745
  163    H    THR  24           H        THR  24  -6.603   2.175   3.986
  164    HA   THR  24           HA       THR  24  -4.614   2.809   5.957
  165    HB   THR  24           HB       THR  24  -4.899   0.175   4.469
  166    HG1  THR  24           1HG      THR  24  -6.357   1.141   6.699
  167   HG21  THR  24          3HG2      THR  24  -4.174  -0.806   6.592
  168   HG22  THR  24          1HG2      THR  24  -4.078   0.808   7.337
  169   HG23  THR  24          2HG2      THR  24  -2.969   0.364   6.024
  170    H    LEU  25           H        LEU  25  -4.320   1.701   2.525
  171    HA   LEU  25           HA       LEU  25  -1.469   1.764   2.441
  172    HB2  LEU  25           1HB      LEU  25  -2.738   0.572   0.784
  173    HB3  LEU  25           2HB      LEU  25  -3.649   2.016   0.357
  174    HG   LEU  25           HG       LEU  25  -1.572   3.055  -0.573
  175   HD11  LEU  25          1HD1      LEU  25  -0.321   0.326  -0.048
  176   HD12  LEU  25          2HD1      LEU  25   0.133   1.837   0.766
  177   HD13  LEU  25          3HD1      LEU  25   0.417   1.655  -0.960
  178   HD21  LEU  25          3HD2      LEU  25  -2.171   0.319  -1.708
  179   HD22  LEU  25          1HD2      LEU  25  -1.479   1.702  -2.573
  180   HD23  LEU  25          2HD2      LEU  25  -3.147   1.786  -1.973
  181    H    LYS  26           H        LYS  26  -3.876   4.380   1.675
  182    HA   LYS  26           HA       LYS  26  -1.951   6.336   0.910
  183    HB2  LYS  26           1HB      LYS  26  -4.344   6.578   0.516
  184    HB3  LYS  26           2HB      LYS  26  -4.666   6.690   2.255
  185    HG2  LYS  26           1HG      LYS  26  -3.345   8.757   2.404
  186    HG3  LYS  26           2HG      LYS  26  -2.904   8.637   0.699
  187    HD2  LYS  26           1HD      LYS  26  -5.741   8.985   1.771
  188    HD3  LYS  26           2HD      LYS  26  -4.706  10.294   1.181
  189    HE2  LYS  26           1HE      LYS  26  -4.593   9.182  -1.054
  190    HE3  LYS  26           2HE      LYS  26  -5.694   7.927  -0.473
  191    HZ1  LYS  26           3HZ      LYS  26  -6.893   9.667  -1.666
  192    HZ2  LYS  26           1HZ      LYS  26  -6.352  10.820  -0.649
  193    HZ3  LYS  26           2HZ      LYS  26  -7.371   9.663  -0.106
  194    H    SER  27           H        SER  27  -3.297   5.627   4.134
  195    HA   SER  27           HA       SER  27  -1.777   7.494   5.645
  196    HB2  SER  27           1HB      SER  27  -2.763   4.743   6.501
  197    HB3  SER  27           2HB      SER  27  -2.234   6.048   7.574
  198    HG   SER  27           HG       SER  27  -4.506   5.979   5.862
  199    H    HIS  28           H        HIS  28  -0.746   4.475   4.205
  200    HA   HIS  28           HA       HIS  28   1.828   4.429   5.660
  201    HB2  HIS  28           1HB      HIS  28   0.814   2.304   5.247
  202    HB3  HIS  28           2HB      HIS  28   0.582   2.653   3.538
  203    HD1  HIS  28           1HD      HIS  28   3.478   1.917   5.983
  204    HD2  HIS  28           2HD      HIS  28   2.567   2.199   1.887
  205    HE1  HIS  28           1HE      HIS  28   5.543   1.092   4.757
  206    H    LYS  29           H        LYS  29   0.685   5.136   2.307
  207    HA   LYS  29           HA       LYS  29   3.252   5.657   1.169
  208    HB2  LYS  29           1HB      LYS  29   0.442   6.563   0.462
  209    HB3  LYS  29           2HB      LYS  29   1.855   7.088  -0.460
  210    HG2  LYS  29           1HG      LYS  29   2.483   4.756  -0.929
  211    HG3  LYS  29           2HG      LYS  29   1.075   4.171  -0.026
  212    HD2  LYS  29           1HD      LYS  29  -0.454   5.233  -1.605
  213    HD3  LYS  29           2HD      LYS  29   0.894   6.047  -2.415
  214    HE2  LYS  29           1HE      LYS  29   1.835   3.834  -3.068
  215    HE3  LYS  29           2HE      LYS  29   0.426   3.047  -2.354
  216    HZ1  LYS  29           3HZ      LYS  29   0.124   3.364  -4.738
  217    HZ2  LYS  29           1HZ      LYS  29   0.341   4.975  -4.614
  218    HZ3  LYS  29           2HZ      LYS  29  -0.975   4.276  -3.947
  219    H    LEU  30           H        LEU  30   1.172   7.810   3.042
  220    HA   LEU  30           HA       LEU  30   2.638  10.236   2.722
  221    HB2  LEU  30           1HB      LEU  30   1.046   9.061   5.038
  222    HB3  LEU  30           2HB      LEU  30   1.688  10.698   5.069
  223    HG   LEU  30           HG       LEU  30  -0.245   9.723   2.923
  224   HD11  LEU  30          1HD1      LEU  30  -0.760  11.333   5.455
  225   HD12  LEU  30          2HD1      LEU  30  -1.242   9.647   5.176
  226   HD13  LEU  30          3HD1      LEU  30  -1.956  10.938   4.193
  227   HD21  LEU  30          3HD2      LEU  30  -0.593  12.148   2.554
  228   HD22  LEU  30          1HD2      LEU  30   1.070  11.660   2.209
  229   HD23  LEU  30          2HD2      LEU  30   0.696  12.504   3.728
  230    H    LEU  31           H        LEU  31   3.541   7.372   4.498
  231    HA   LEU  31           HA       LEU  31   5.561   8.703   6.149
  232    HB2  LEU  31           1HB      LEU  31   5.258   5.737   5.594
  233    HB3  LEU  31           2HB      LEU  31   6.130   6.488   6.917
  234    HG   LEU  31           HG       LEU  31   3.104   6.560   6.542
  235   HD11  LEU  31          1HD1      LEU  31   3.986   4.340   7.147
  236   HD12  LEU  31          2HD1      LEU  31   3.052   5.059   8.469
  237   HD13  LEU  31          3HD1      LEU  31   4.830   5.052   8.542
  238   HD21  LEU  31          3HD2      LEU  31   3.866   8.575   7.730
  239   HD22  LEU  31          1HD2      LEU  31   4.834   7.575   8.839
  240   HD23  LEU  31          2HD2      LEU  31   3.059   7.468   8.845
  241    H    HIS  32           H        HIS  32   5.570   7.646   2.865
  242    HA   HIS  32           HA       HIS  32   8.470   7.106   2.783
  243    HB2  HIS  32           1HB      HIS  32   6.233   6.971   0.746
  244    HB3  HIS  32           2HB      HIS  32   7.919   6.841   0.281
  245    HD1  HIS  32           1HD      HIS  32   9.319   4.797   1.720
  246    HD2  HIS  32           2HD      HIS  32   5.175   4.613   1.082
  247    HE1  HIS  32           1HE      HIS  32   8.706   2.343   1.898
  248    H    THR  33           H        THR  33   6.704  10.013   2.698
  249    HA   THR  33           HA       THR  33   8.187  11.368   0.607
  250    HB   THR  33           HB       THR  33   7.243  13.448   1.547
  251    HG1  THR  33           1HG      THR  33   7.113  12.904   3.726
  252   HG21  THR  33          3HG2      THR  33   5.943  12.100  -0.080
  253   HG22  THR  33          1HG2      THR  33   4.902  12.966   1.064
  254   HG23  THR  33          2HG2      THR  33   5.176  11.223   1.264
  255    H    ALA  34           H        ALA  34   9.760  13.017   0.791
  256    HA   ALA  34           HA       ALA  34  11.871  12.437   2.659
  257    HB1  ALA  34           1HB      ALA  34  13.056  14.229   1.461
  258    HB2  ALA  34           2HB      ALA  34  12.268  13.118   0.326
  259    HB3  ALA  34           3HB      ALA  34  11.547  14.712   0.660
  260    H    ASP  35           H        ASP  35  12.910  13.890   4.115
  261    HA   ASP  35           HA       ASP  35  11.400  16.180   5.202
  262    HB2  ASP  35           1HB      ASP  35  11.330  15.377   7.426
  263    HB3  ASP  35           2HB      ASP  35  10.601  14.138   6.421
  264    H    GLY  36           H        GLY  36  12.631  17.470   6.732
  265    HA2  GLY  36           1HA      GLY  36  15.310  17.232   7.471
  266    HA3  GLY  36           2HA      GLY  36  15.345  17.989   5.878
  Start of MODEL    9
    1    H1   GLY   1           1H       GLY   1 -12.215 -14.911  -7.278
    2    H2   GLY   1           2H       GLY   1 -11.192 -15.185  -6.023
    3    H3   GLY   1           3H       GLY   1 -11.545 -16.395  -7.082
    4    HA2  GLY   1           1HA      GLY   1  -9.367 -15.601  -7.577
    5    HA3  GLY   1           2HA      GLY   1 -10.481 -15.152  -8.883
    6    H    SER   2           H        SER   2  -7.935 -13.989  -7.410
    7    HA   SER   2           HA       SER   2  -8.577 -11.438  -6.367
    8    HB2  SER   2           1HB      SER   2  -6.037 -12.303  -7.795
    9    HB3  SER   2           2HB      SER   2  -6.217 -10.918  -6.700
   10    HG   SER   2           HG       SER   2  -5.355 -12.781  -5.641
   11    H    SER   3           H        SER   3  -8.419  -9.360  -7.218
   12    HA   SER   3           HA       SER   3  -9.033  -7.711  -8.631
   13    HB2  SER   3           1HB      SER   3  -7.629  -9.251 -10.832
   14    HB3  SER   3           2HB      SER   3  -8.121  -7.552 -10.880
   15    HG   SER   3           HG       SER   3  -5.873  -7.974 -10.293
   16    H    GLY   4           H        GLY   4 -10.854  -9.821  -8.075
   17    HA2  GLY   4           1HA      GLY   4 -12.936  -9.470 -10.087
   18    HA3  GLY   4           2HA      GLY   4 -12.164 -11.054 -10.151
   19    H    SER   5           H        SER   5 -13.407 -12.520  -9.171
   20    HA   SER   5           HA       SER   5 -15.686 -11.890  -7.653
   21    HB2  SER   5           1HB      SER   5 -15.925 -14.350  -7.441
   22    HB3  SER   5           2HB      SER   5 -15.569 -13.811  -9.088
   23    HG   SER   5           HG       SER   5 -14.291 -15.597  -8.530
   24    H    SER   6           H        SER   6 -12.492 -12.326  -6.374
   25    HA   SER   6           HA       SER   6 -13.654 -12.314  -3.619
   26    HB2  SER   6           1HB      SER   6 -11.684 -13.496  -2.781
   27    HB3  SER   6           2HB      SER   6 -12.628 -14.441  -3.933
   28    HG   SER   6           HG       SER   6 -10.111 -13.204  -4.291
   29    H    GLY   7           H        GLY   7 -12.907 -10.082  -5.503
   30    HA2  GLY   7           1HA      GLY   7 -12.308  -7.885  -5.100
   31    HA3  GLY   7           2HA      GLY   7 -11.871  -8.319  -3.450
   32    H    LYS   8           H        LYS   8 -10.090  -6.849  -3.679
   33    HA   LYS   8           HA       LYS   8  -7.641  -8.094  -4.763
   34    HB2  LYS   8           1HB      LYS   8  -8.678  -6.640  -6.584
   35    HB3  LYS   8           2HB      LYS   8  -8.412  -5.241  -5.535
   36    HG2  LYS   8           1HG      LYS   8  -5.969  -5.716  -5.575
   37    HG3  LYS   8           2HG      LYS   8  -6.279  -7.130  -6.609
   38    HD2  LYS   8           1HD      LYS   8  -7.327  -5.595  -8.307
   39    HD3  LYS   8           2HD      LYS   8  -6.891  -4.208  -7.278
   40    HE2  LYS   8           1HE      LYS   8  -4.516  -4.869  -7.395
   41    HE3  LYS   8           2HE      LYS   8  -4.954  -6.277  -8.378
   42    HZ1  LYS   8           3HZ      LYS   8  -5.353  -3.445  -9.202
   43    HZ2  LYS   8           1HZ      LYS   8  -5.746  -4.752 -10.102
   44    HZ3  LYS   8           2HZ      LYS   8  -4.182  -4.431  -9.770
   45    H    THR   9           H        THR   9  -5.843  -7.625  -3.596
   46    HA   THR   9           HA       THR   9  -6.089  -6.132  -1.082
   47    HB   THR   9           HB       THR   9  -3.553  -7.354  -2.210
   48    HG1  THR   9           1HG      THR   9  -5.579  -8.659  -0.706
   49   HG21  THR   9          3HG2      THR   9  -4.581  -6.911   0.631
   50   HG22  THR   9          1HG2      THR   9  -3.216  -6.088  -0.155
   51   HG23  THR   9          2HG2      THR   9  -3.112  -7.816   0.207
   52    H    HIS  10           H        HIS  10  -4.962  -4.235  -0.508
   53    HA   HIS  10           HA       HIS  10  -4.101  -2.510  -2.762
   54    HB2  HIS  10           1HB      HIS  10  -4.546  -1.926   0.187
   55    HB3  HIS  10           2HB      HIS  10  -4.085  -0.745  -1.025
   56    HD1  HIS  10           1HD      HIS  10  -6.009   0.158  -2.634
   57    HD2  HIS  10           2HD      HIS  10  -7.110  -2.954  -0.028
   58    HE1  HIS  10           1HE      HIS  10  -8.558   0.037  -2.697
   59    H    LEU  11           H        LEU  11  -1.970  -1.656  -2.944
   60    HA   LEU  11           HA       LEU  11   0.145  -3.018  -1.332
   61    HB2  LEU  11           1HB      LEU  11  -0.297  -4.448  -3.159
   62    HB3  LEU  11           2HB      LEU  11  -0.401  -3.104  -4.303
   63    HG   LEU  11           HG       LEU  11   2.072  -2.735  -4.036
   64   HD11  LEU  11          1HD1      LEU  11   1.936  -5.406  -2.567
   65   HD12  LEU  11          2HD1      LEU  11   2.387  -3.855  -1.830
   66   HD13  LEU  11          3HD1      LEU  11   3.411  -4.567  -3.081
   67   HD21  LEU  11          3HD2      LEU  11   1.141  -4.016  -5.905
   68   HD22  LEU  11          1HD2      LEU  11   1.182  -5.503  -4.925
   69   HD23  LEU  11          2HD2      LEU  11   2.697  -4.686  -5.389
   70    H    CYS  12           H        CYS  12   1.886  -1.920  -0.882
   71    HA   CYS  12           HA       CYS  12   2.368   0.829  -1.751
   72    HB2  CYS  12           1HB      CYS  12   2.865  -0.002   0.532
   73    HB3  CYS  12           2HB      CYS  12   4.028  -1.150  -0.146
   74    H    ASP  13           H        ASP  13   3.388   1.348  -3.596
   75    HA   ASP  13           HA       ASP  13   4.778  -0.658  -5.226
   76    HB2  ASP  13           1HB      ASP  13   3.217   1.049  -6.141
   77    HB3  ASP  13           2HB      ASP  13   4.354   2.316  -5.671
   78    H    MET  14           H        MET  14   5.756   1.167  -2.616
   79    HA   MET  14           HA       MET  14   8.471   1.841  -3.661
   80    HB2  MET  14           1HB      MET  14   6.827   2.827  -1.315
   81    HB3  MET  14           2HB      MET  14   8.491   3.335  -1.641
   82    HG2  MET  14           1HG      MET  14   7.851   4.137  -3.852
   83    HG3  MET  14           2HG      MET  14   6.178   3.657  -3.605
   84    HE1  MET  14           3HE      MET  14   4.357   5.100  -2.568
   85    HE2  MET  14           1HE      MET  14   5.068   4.502  -1.055
   86    HE3  MET  14           2HE      MET  14   4.673   6.229  -1.233
   87    H    CYS  15           H        CYS  15   6.913   0.073  -1.030
   88    HA   CYS  15           HA       CYS  15   9.495  -1.338  -0.560
   89    HB2  CYS  15           1HB      CYS  15   9.212  -1.400   1.804
   90    HB3  CYS  15           2HB      CYS  15   9.262   0.263   1.238
   91    H    GLY  16           H        GLY  16   6.293  -1.726  -1.448
   92    HA2  GLY  16           1HA      GLY  16   5.408  -3.715  -2.277
   93    HA3  GLY  16           2HA      GLY  16   6.730  -4.611  -1.553
   94    H    LYS  17           H        LYS  17   5.212  -2.745   0.839
   95    HA   LYS  17           HA       LYS  17   3.982  -5.031   2.148
   96    HB2  LYS  17           1HB      LYS  17   3.917  -2.045   2.760
   97    HB3  LYS  17           2HB      LYS  17   3.232  -3.292   3.807
   98    HG2  LYS  17           1HG      LYS  17   5.470  -4.360   4.015
   99    HG3  LYS  17           2HG      LYS  17   6.166  -3.098   2.984
  100    HD2  LYS  17           1HD      LYS  17   5.317  -1.389   4.665
  101    HD3  LYS  17           2HD      LYS  17   4.918  -2.728   5.745
  102    HE2  LYS  17           1HE      LYS  17   7.682  -2.109   4.591
  103    HE3  LYS  17           2HE      LYS  17   7.137  -1.641   6.203
  104    HZ1  LYS  17           3HZ      LYS  17   6.884  -4.011   6.738
  105    HZ2  LYS  17           1HZ      LYS  17   8.420  -3.679   6.303
  106    HZ3  LYS  17           2HZ      LYS  17   7.432  -4.441   5.256
  107    H    LYS  18           H        LYS  18   1.926  -5.565   2.487
  108    HA   LYS  18           HA       LYS  18  -0.109  -4.434   0.626
  109    HB2  LYS  18           1HB      LYS  18   0.435  -7.195   1.707
  110    HB3  LYS  18           2HB      LYS  18  -1.180  -6.764   1.155
  111    HG2  LYS  18           1HG      LYS  18  -0.409  -6.207  -1.060
  112    HG3  LYS  18           2HG      LYS  18   1.288  -6.332  -0.571
  113    HD2  LYS  18           1HD      LYS  18   0.994  -8.744  -0.110
  114    HD3  LYS  18           2HD      LYS  18  -0.712  -8.635  -0.609
  115    HE2  LYS  18           1HE      LYS  18   0.005  -7.887  -2.870
  116    HE3  LYS  18           2HE      LYS  18   1.699  -7.984  -2.371
  117    HZ1  LYS  18           3HZ      LYS  18   1.015  -9.987  -3.562
  118    HZ2  LYS  18           1HZ      LYS  18  -0.173 -10.293  -2.486
  119    HZ3  LYS  18           2HZ      LYS  18   1.394 -10.379  -2.024
  120    H    PHE  19           H        PHE  19  -2.142  -4.004   1.213
  121    HA   PHE  19           HA       PHE  19  -2.812  -3.727   4.108
  122    HB2  PHE  19           1HB      PHE  19  -2.920  -1.577   1.959
  123    HB3  PHE  19           2HB      PHE  19  -3.529  -1.389   3.595
  124    HD1  PHE  19           2HD      PHE  19  -1.926  -1.498   5.558
  125    HD2  PHE  19           1HD      PHE  19  -0.554  -1.408   1.475
  126    HE1  PHE  19           2HE      PHE  19   0.357  -0.905   6.339
  127    HE2  PHE  19           1HE      PHE  19   1.725  -0.826   2.256
  128    HZ   PHE  19           HZ       PHE  19   2.191  -0.591   4.689
  129    H    LYS  20           H        LYS  20  -5.001  -3.427   4.616
  130    HA   LYS  20           HA       LYS  20  -6.822  -4.993   2.995
  131    HB2  LYS  20           1HB      LYS  20  -8.397  -4.646   4.817
  132    HB3  LYS  20           2HB      LYS  20  -6.836  -5.181   5.421
  133    HG2  LYS  20           1HG      LYS  20  -6.351  -3.131   6.448
  134    HG3  LYS  20           2HG      LYS  20  -7.368  -2.210   5.344
  135    HD2  LYS  20           1HD      LYS  20  -9.405  -3.273   6.393
  136    HD3  LYS  20           2HD      LYS  20  -8.336  -4.029   7.580
  137    HE2  LYS  20           1HE      LYS  20  -9.373  -2.021   8.490
  138    HE3  LYS  20           2HE      LYS  20  -7.624  -1.802   8.383
  139    HZ1  LYS  20           3HZ      LYS  20  -7.890  -0.365   6.538
  140    HZ2  LYS  20           1HZ      LYS  20  -9.086   0.097   7.547
  141    HZ3  LYS  20           2HZ      LYS  20  -9.420  -0.829   6.227
  142    H    SER  21           H        SER  21  -6.316  -1.562   3.187
  143    HA   SER  21           HA       SER  21  -8.694  -0.992   1.488
  144    HB2  SER  21           1HB      SER  21  -8.123   0.522   4.060
  145    HB3  SER  21           2HB      SER  21  -9.498   0.737   2.975
  146    HG   SER  21           HG       SER  21 -10.207  -1.363   3.577
  147    H    LYS  22           H        LYS  22  -8.567   0.961   0.326
  148    HA   LYS  22           HA       LYS  22  -5.989   2.001  -0.322
  149    HB2  LYS  22           1HB      LYS  22  -7.245   3.804  -1.526
  150    HB3  LYS  22           2HB      LYS  22  -7.646   2.161  -1.987
  151    HG2  LYS  22           1HG      LYS  22  -9.751   2.238  -0.756
  152    HG3  LYS  22           2HG      LYS  22  -9.318   3.786  -0.036
  153    HD2  LYS  22           1HD      LYS  22 -10.923   4.159  -1.787
  154    HD3  LYS  22           2HD      LYS  22  -9.373   4.861  -2.268
  155    HE2  LYS  22           1HE      LYS  22  -8.917   2.880  -3.699
  156    HE3  LYS  22           2HE      LYS  22 -10.440   2.143  -3.176
  157    HZ1  LYS  22           3HZ      LYS  22 -10.212   4.696  -4.687
  158    HZ2  LYS  22           1HZ      LYS  22 -11.617   4.014  -4.206
  159    HZ3  LYS  22           2HZ      LYS  22 -10.685   3.268  -5.315
  160    H    GLY  23           H        GLY  23  -8.324   3.202   2.062
  161    HA2  GLY  23           1HA      GLY  23  -6.954   5.645   2.715
  162    HA3  GLY  23           2HA      GLY  23  -8.053   4.746   3.770
  163    H    THR  24           H        THR  24  -6.692   2.323   4.089
  164    HA   THR  24           HA       THR  24  -4.675   2.892   6.027
  165    HB   THR  24           HB       THR  24  -5.089   0.249   4.577
  166    HG1  THR  24           1HG      THR  24  -6.468   1.430   6.752
  167   HG21  THR  24          3HG2      THR  24  -4.223   0.878   7.430
  168   HG22  THR  24          1HG2      THR  24  -3.144   0.361   6.122
  169   HG23  THR  24          2HG2      THR  24  -4.410  -0.736   6.703
  170    H    LEU  25           H        LEU  25  -4.401   1.766   2.607
  171    HA   LEU  25           HA       LEU  25  -1.540   1.754   2.531
  172    HB2  LEU  25           1HB      LEU  25  -2.822   0.592   0.872
  173    HB3  LEU  25           2HB      LEU  25  -3.718   2.044   0.450
  174    HG   LEU  25           HG       LEU  25  -1.633   3.060  -0.490
  175   HD11  LEU  25          1HD1      LEU  25   0.062   1.802   0.845
  176   HD12  LEU  25          2HD1      LEU  25   0.338   1.635  -0.886
  177   HD13  LEU  25          3HD1      LEU  25  -0.417   0.310   0.012
  178   HD21  LEU  25          3HD2      LEU  25  -3.240   1.790  -1.877
  179   HD22  LEU  25          1HD2      LEU  25  -2.253   0.329  -1.628
  180   HD23  LEU  25          2HD2      LEU  25  -1.579   1.711  -2.498
  181    H    LYS  26           H        LYS  26  -3.887   4.433   1.797
  182    HA   LYS  26           HA       LYS  26  -1.939   6.331   0.973
  183    HB2  LYS  26           1HB      LYS  26  -4.345   6.622   0.655
  184    HB3  LYS  26           2HB      LYS  26  -4.593   6.796   2.399
  185    HG2  LYS  26           1HG      LYS  26  -3.193   8.818   2.434
  186    HG3  LYS  26           2HG      LYS  26  -2.843   8.640   0.714
  187    HD2  LYS  26           1HD      LYS  26  -5.609   9.111   1.917
  188    HD3  LYS  26           2HD      LYS  26  -4.562  10.368   1.240
  189    HE2  LYS  26           1HE      LYS  26  -4.601   9.198  -0.966
  190    HE3  LYS  26           2HE      LYS  26  -5.712   7.996  -0.298
  191    HZ1  LYS  26           3HZ      LYS  26  -7.309   9.798   0.108
  192    HZ2  LYS  26           1HZ      LYS  26  -6.912   9.747  -1.474
  193    HZ3  LYS  26           2HZ      LYS  26  -6.281  10.905  -0.516
  194    H    SER  27           H        SER  27  -3.220   5.785   4.283
  195    HA   SER  27           HA       SER  27  -1.525   7.597   5.647
  196    HB2  SER  27           1HB      SER  27  -2.699   4.952   6.579
  197    HB3  SER  27           2HB      SER  27  -1.942   6.157   7.640
  198    HG   SER  27           HG       SER  27  -4.228   6.409   7.530
  199    H    HIS  28           H        HIS  28  -0.667   4.505   4.238
  200    HA   HIS  28           HA       HIS  28   1.946   4.415   5.630
  201    HB2  HIS  28           1HB      HIS  28   0.857   2.303   5.276
  202    HB3  HIS  28           2HB      HIS  28   0.646   2.621   3.554
  203    HD1  HIS  28           1HD      HIS  28   3.524   1.947   6.050
  204    HD2  HIS  28           2HD      HIS  28   2.653   2.115   1.940
  205    HE1  HIS  28           1HE      HIS  28   5.624   1.155   4.867
  206    H    LYS  29           H        LYS  29   0.719   5.063   2.295
  207    HA   LYS  29           HA       LYS  29   3.251   5.483   1.057
  208    HB2  LYS  29           1HB      LYS  29   0.458   6.513   0.445
  209    HB3  LYS  29           2HB      LYS  29   1.862   6.948  -0.539
  210    HG2  LYS  29           1HG      LYS  29   2.345   4.545  -0.944
  211    HG3  LYS  29           2HG      LYS  29   0.887   4.101  -0.045
  212    HD2  LYS  29           1HD      LYS  29  -0.533   5.254  -1.660
  213    HD3  LYS  29           2HD      LYS  29   0.887   5.944  -2.470
  214    HE2  LYS  29           1HE      LYS  29   1.653   3.658  -3.080
  215    HE3  LYS  29           2HE      LYS  29   0.190   2.987  -2.353
  216    HZ1  LYS  29           3HZ      LYS  29  -1.117   4.279  -3.975
  217    HZ2  LYS  29           1HZ      LYS  29  -0.083   3.277  -4.745
  218    HZ3  LYS  29           2HZ      LYS  29   0.247   4.871  -4.651
  219    H    LEU  30           H        LEU  30   1.296   7.762   2.934
  220    HA   LEU  30           HA       LEU  30   2.839  10.115   2.485
  221    HB2  LEU  30           1HB      LEU  30   1.258   9.119   4.890
  222    HB3  LEU  30           2HB      LEU  30   1.947  10.736   4.808
  223    HG   LEU  30           HG       LEU  30  -0.067   9.679   2.777
  224   HD11  LEU  30          1HD1      LEU  30  -0.474  11.489   5.189
  225   HD12  LEU  30          2HD1      LEU  30  -1.029   9.807   5.041
  226   HD13  LEU  30          3HD1      LEU  30  -1.706  11.054   3.977
  227   HD21  LEU  30          3HD2      LEU  30   1.294  11.514   1.889
  228   HD22  LEU  30          1HD2      LEU  30   0.971  12.484   3.343
  229   HD23  LEU  30          2HD2      LEU  30  -0.348  12.073   2.225
  230    H    LEU  31           H        LEU  31   3.638   7.318   4.460
  231    HA   LEU  31           HA       LEU  31   5.707   8.633   6.023
  232    HB2  LEU  31           1HB      LEU  31   5.388   5.665   5.465
  233    HB3  LEU  31           2HB      LEU  31   6.294   6.404   6.772
  234    HG   LEU  31           HG       LEU  31   3.264   6.501   6.459
  235   HD11  LEU  31          1HD1      LEU  31   4.144   4.273   7.039
  236   HD12  LEU  31          2HD1      LEU  31   3.237   4.992   8.382
  237   HD13  LEU  31          3HD1      LEU  31   5.017   4.972   8.421
  238   HD21  LEU  31          3HD2      LEU  31   4.060   8.505   7.642
  239   HD22  LEU  31          1HD2      LEU  31   5.047   7.496   8.725
  240   HD23  LEU  31          2HD2      LEU  31   3.272   7.400   8.769
  241    H    HIS  32           H        HIS  32   5.672   7.460   2.769
  242    HA   HIS  32           HA       HIS  32   8.599   7.129   2.595
  243    HB2  HIS  32           1HB      HIS  32   6.335   6.835   0.598
  244    HB3  HIS  32           2HB      HIS  32   8.026   6.719   0.151
  245    HD1  HIS  32           1HD      HIS  32   9.461   4.682   1.359
  246    HD2  HIS  32           2HD      HIS  32   5.266   4.560   1.445
  247    HE1  HIS  32           1HE      HIS  32   8.857   2.266   1.808
  248    H    THR  33           H        THR  33   6.778   9.875   2.801
  249    HA   THR  33           HA       THR  33   8.662  11.438   1.106
  250    HB   THR  33           HB       THR  33   6.728  11.224  -0.265
  251    HG1  THR  33           1HG      THR  33   6.354  13.348  -0.573
  252   HG21  THR  33          3HG2      THR  33   5.075  12.313   2.054
  253   HG22  THR  33          1HG2      THR  33   4.951  10.697   1.325
  254   HG23  THR  33          2HG2      THR  33   4.510  12.123   0.380
  255    H    ALA  34           H        ALA  34   9.044  13.564   1.702
  256    HA   ALA  34           HA       ALA  34   8.842  14.215   4.536
  257    HB1  ALA  34           1HB      ALA  34   9.785  15.846   2.137
  258    HB2  ALA  34           2HB      ALA  34  10.040  16.252   3.847
  259    HB3  ALA  34           3HB      ALA  34  10.807  14.809   3.161
  260    H    ASP  35           H        ASP  35   6.678  14.580   1.884
  261    HA   ASP  35           HA       ASP  35   5.318  16.986   2.792
  262    HB2  ASP  35           1HB      ASP  35   5.435  16.135   0.431
  263    HB3  ASP  35           2HB      ASP  35   4.389  14.794   0.901
  264    H    GLY  36           H        GLY  36   5.264  13.744   3.911
  265    HA2  GLY  36           1HA      GLY  36   2.523  13.493   4.814
  266    HA3  GLY  36           2HA      GLY  36   3.900  12.512   5.312
  Start of MODEL   10
    1    H1   GLY   1           1H       GLY   1   7.792 -19.823  -6.201
    2    H2   GLY   1           2H       GLY   1   7.556 -18.444  -7.050
    3    H3   GLY   1           3H       GLY   1   7.315 -19.897  -7.768
    4    HA2  GLY   1           1HA      GLY   1   5.200 -18.881  -7.242
    5    HA3  GLY   1           2HA      GLY   1   5.451 -20.385  -6.338
    6    H    SER   2           H        SER   2   3.642 -18.384  -5.527
    7    HA   SER   2           HA       SER   2   4.799 -16.759  -3.394
    8    HB2  SER   2           1HB      SER   2   2.441 -16.158  -2.949
    9    HB3  SER   2           2HB      SER   2   2.918 -15.906  -4.635
   10    HG   SER   2           HG       SER   2   0.862 -16.959  -4.401
   11    H    SER   3           H        SER   3   4.062 -16.859  -1.155
   12    HA   SER   3           HA       SER   3   4.268 -19.544  -0.035
   13    HB2  SER   3           1HB      SER   3   4.304 -18.315   2.122
   14    HB3  SER   3           2HB      SER   3   5.515 -17.747   0.960
   15    HG   SER   3           HG       SER   3   4.382 -16.010   1.978
   16    H    GLY   4           H        GLY   4   1.586 -17.573  -0.911
   17    HA2  GLY   4           1HA      GLY   4  -0.384 -19.470  -0.174
   18    HA3  GLY   4           2HA      GLY   4  -0.342 -18.223   1.075
   19    H    SER   5           H        SER   5  -2.652 -18.487  -0.187
   20    HA   SER   5           HA       SER   5  -3.018 -17.064  -2.628
   21    HB2  SER   5           1HB      SER   5  -5.036 -17.634  -0.426
   22    HB3  SER   5           2HB      SER   5  -5.407 -17.166  -2.096
   23    HG   SER   5           HG       SER   5  -5.509 -19.445  -1.786
   24    H    SER   6           H        SER   6  -3.838 -15.056  -3.114
   25    HA   SER   6           HA       SER   6  -4.399 -13.034  -1.054
   26    HB2  SER   6           1HB      SER   6  -1.875 -13.036  -1.478
   27    HB3  SER   6           2HB      SER   6  -2.235 -12.528  -3.134
   28    HG   SER   6           HG       SER   6  -2.883 -11.183  -0.694
   29    H    GLY   7           H        GLY   7  -5.606 -11.242  -1.913
   30    HA2  GLY   7           1HA      GLY   7  -6.180 -10.752  -4.636
   31    HA3  GLY   7           2HA      GLY   7  -7.385 -11.903  -4.057
   32    H    LYS   8           H        LYS   8  -7.713  -9.169  -4.974
   33    HA   LYS   8           HA       LYS   8  -8.624  -7.139  -4.554
   34    HB2  LYS   8           1HB      LYS   8 -10.004  -8.453  -2.187
   35    HB3  LYS   8           2HB      LYS   8 -10.497  -6.976  -3.004
   36    HG2  LYS   8           1HG      LYS   8 -10.526  -9.747  -4.238
   37    HG3  LYS   8           2HG      LYS   8 -11.897  -8.840  -3.598
   38    HD2  LYS   8           1HD      LYS   8 -11.336  -6.994  -5.295
   39    HD3  LYS   8           2HD      LYS   8 -10.216  -8.161  -6.049
   40    HE2  LYS   8           1HE      LYS   8 -12.099  -9.786  -6.232
   41    HE3  LYS   8           2HE      LYS   8 -13.174  -8.593  -5.491
   42    HZ1  LYS   8           3HZ      LYS   8 -11.773  -8.234  -8.095
   43    HZ2  LYS   8           1HZ      LYS   8 -12.772  -7.135  -7.410
   44    HZ3  LYS   8           2HZ      LYS   8 -13.360  -8.567  -7.924
   45    H    THR   9           H        THR   9  -6.108  -7.969  -2.986
   46    HA   THR   9           HA       THR   9  -6.047  -6.247  -0.675
   47    HB   THR   9           HB       THR   9  -3.523  -7.255  -1.962
   48    HG1  THR   9           1HG      THR   9  -3.883  -9.310  -1.330
   49   HG21  THR   9          3HG2      THR   9  -4.631  -7.216   0.883
   50   HG22  THR   9          1HG2      THR   9  -3.355  -6.172   0.218
   51   HG23  THR   9          2HG2      THR   9  -3.067  -7.910   0.425
   52    H    HIS  10           H        HIS  10  -4.854  -4.329  -0.343
   53    HA   HIS  10           HA       HIS  10  -4.156  -2.753  -2.780
   54    HB2  HIS  10           1HB      HIS  10  -4.562  -1.916   0.112
   55    HB3  HIS  10           2HB      HIS  10  -4.098  -0.845  -1.204
   56    HD1  HIS  10           1HD      HIS  10  -6.030  -0.037  -2.840
   57    HD2  HIS  10           2HD      HIS  10  -7.135  -2.972  -0.036
   58    HE1  HIS  10           1HE      HIS  10  -8.578  -0.153  -2.891
   59    H    LEU  11           H        LEU  11  -2.044  -1.786  -2.974
   60    HA   LEU  11           HA       LEU  11   0.105  -3.115  -1.377
   61    HB2  LEU  11           1HB      LEU  11  -0.352  -4.536  -3.227
   62    HB3  LEU  11           2HB      LEU  11  -0.417  -3.179  -4.357
   63    HG   LEU  11           HG       LEU  11   2.052  -2.839  -4.034
   64   HD11  LEU  11          1HD1      LEU  11   2.313  -3.960  -1.822
   65   HD12  LEU  11          2HD1      LEU  11   3.358  -4.680  -3.050
   66   HD13  LEU  11          3HD1      LEU  11   1.867  -5.508  -2.566
   67   HD21  LEU  11          3HD2      LEU  11   2.699  -4.787  -5.377
   68   HD22  LEU  11          1HD2      LEU  11   1.159  -4.109  -5.926
   69   HD23  LEU  11          2HD2      LEU  11   1.170  -5.599  -4.950
   70    H    CYS  12           H        CYS  12   1.830  -2.000  -0.942
   71    HA   CYS  12           HA       CYS  12   2.280   0.755  -1.796
   72    HB2  CYS  12           1HB      CYS  12   2.825  -0.104   0.464
   73    HB3  CYS  12           2HB      CYS  12   3.988  -1.226  -0.251
   74    H    ASP  13           H        ASP  13   3.189   1.281  -3.683
   75    HA   ASP  13           HA       ASP  13   4.667  -0.649  -5.326
   76    HB2  ASP  13           1HB      ASP  13   3.036   0.996  -6.230
   77    HB3  ASP  13           2HB      ASP  13   4.114   2.308  -5.744
   78    H    MET  14           H        MET  14   5.562   1.195  -2.692
   79    HA   MET  14           HA       MET  14   8.226   2.026  -3.737
   80    HB2  MET  14           1HB      MET  14   6.773   2.812  -1.196
   81    HB3  MET  14           2HB      MET  14   8.260   3.508  -1.819
   82    HG2  MET  14           1HG      MET  14   7.029   4.290  -3.834
   83    HG3  MET  14           2HG      MET  14   5.533   3.639  -3.151
   84    HE1  MET  14           3HE      MET  14   5.551   6.506  -4.128
   85    HE2  MET  14           1HE      MET  14   4.179   5.779  -3.255
   86    HE3  MET  14           2HE      MET  14   4.788   7.382  -2.776
   87    H    CYS  15           H        CYS  15   6.787   0.127  -1.088
   88    HA   CYS  15           HA       CYS  15   9.414  -1.196  -0.697
   89    HB2  CYS  15           1HB      CYS  15   9.254  -1.223   1.660
   90    HB3  CYS  15           2HB      CYS  15   9.223   0.426   1.066
   91    H    GLY  16           H        GLY  16   6.285  -1.692  -1.590
   92    HA2  GLY  16           1HA      GLY  16   5.433  -3.709  -2.367
   93    HA3  GLY  16           2HA      GLY  16   6.776  -4.557  -1.625
   94    H    LYS  17           H        LYS  17   5.113  -2.698   0.695
   95    HA   LYS  17           HA       LYS  17   4.008  -5.055   2.028
   96    HB2  LYS  17           1HB      LYS  17   3.896  -2.082   2.693
   97    HB3  LYS  17           2HB      LYS  17   3.297  -3.367   3.750
   98    HG2  LYS  17           1HG      LYS  17   5.561  -4.352   3.891
   99    HG3  LYS  17           2HG      LYS  17   6.171  -3.121   2.769
  100    HD2  LYS  17           1HD      LYS  17   5.501  -1.343   4.409
  101    HD3  LYS  17           2HD      LYS  17   5.030  -2.609   5.545
  102    HE2  LYS  17           1HE      LYS  17   7.256  -1.725   6.063
  103    HE3  LYS  17           2HE      LYS  17   7.337  -3.440   5.649
  104    HZ1  LYS  17           3HZ      LYS  17   7.878  -1.308   3.644
  105    HZ2  LYS  17           1HZ      LYS  17   8.222  -2.889   3.518
  106    HZ3  LYS  17           2HZ      LYS  17   9.069  -1.971   4.572
  107    H    LYS  18           H        LYS  18   1.976  -5.664   2.365
  108    HA   LYS  18           HA       LYS  18  -0.123  -4.521   0.603
  109    HB2  LYS  18           1HB      LYS  18   0.464  -7.245   1.736
  110    HB3  LYS  18           2HB      LYS  18  -1.198  -6.824   1.348
  111    HG2  LYS  18           1HG      LYS  18  -0.637  -6.295  -0.953
  112    HG3  LYS  18           2HG      LYS  18   1.095  -6.499  -0.631
  113    HD2  LYS  18           1HD      LYS  18   0.784  -8.871  -0.157
  114    HD3  LYS  18           2HD      LYS  18  -0.978  -8.715  -0.326
  115    HE2  LYS  18           1HE      LYS  18  -0.638  -7.947  -2.700
  116    HE3  LYS  18           2HE      LYS  18   1.094  -8.261  -2.522
  117    HZ1  LYS  18           3HZ      LYS  18  -0.055 -10.148  -3.537
  118    HZ2  LYS  18           1HZ      LYS  18  -1.060 -10.301  -2.253
  119    HZ3  LYS  18           2HZ      LYS  18   0.544 -10.601  -2.087
  120    H    PHE  19           H        PHE  19  -2.108  -3.993   1.229
  121    HA   PHE  19           HA       PHE  19  -2.733  -3.674   4.130
  122    HB2  PHE  19           1HB      PHE  19  -2.852  -1.548   1.959
  123    HB3  PHE  19           2HB      PHE  19  -3.450  -1.337   3.594
  124    HD1  PHE  19           2HD      PHE  19  -1.827  -1.485   5.561
  125    HD2  PHE  19           1HD      PHE  19  -0.494  -1.376   1.464
  126    HE1  PHE  19           2HE      PHE  19   0.464  -0.910   6.322
  127    HE2  PHE  19           1HE      PHE  19   1.794  -0.824   2.228
  128    HZ   PHE  19           HZ       PHE  19   2.285  -0.600   4.657
  129    H    LYS  20           H        LYS  20  -4.905  -3.319   4.673
  130    HA   LYS  20           HA       LYS  20  -6.769  -4.938   3.172
  131    HB2  LYS  20           1HB      LYS  20  -8.211  -4.686   5.054
  132    HB3  LYS  20           2HB      LYS  20  -6.567  -4.866   5.661
  133    HG2  LYS  20           1HG      LYS  20  -6.465  -2.342   5.939
  134    HG3  LYS  20           2HG      LYS  20  -8.167  -2.270   5.448
  135    HD2  LYS  20           1HD      LYS  20  -8.704  -3.850   7.350
  136    HD3  LYS  20           2HD      LYS  20  -7.036  -3.676   7.906
  137    HE2  LYS  20           1HE      LYS  20  -9.093  -1.433   7.590
  138    HE3  LYS  20           2HE      LYS  20  -8.636  -2.203   9.111
  139    HZ1  LYS  20           3HZ      LYS  20  -7.438  -0.150   8.856
  140    HZ2  LYS  20           1HZ      LYS  20  -6.848  -0.559   7.395
  141    HZ3  LYS  20           2HZ      LYS  20  -6.352  -1.363   8.744
  142    H    SER  21           H        SER  21  -6.205  -1.543   3.113
  143    HA   SER  21           HA       SER  21  -8.545  -1.026   1.378
  144    HB2  SER  21           1HB      SER  21  -9.486  -0.673   3.575
  145    HB3  SER  21           2HB      SER  21  -8.094   0.301   4.077
  146    HG   SER  21           HG       SER  21 -10.033   1.486   3.386
  147    H    LYS  22           H        LYS  22  -8.353   0.843   0.148
  148    HA   LYS  22           HA       LYS  22  -5.766   1.954  -0.450
  149    HB2  LYS  22           1HB      LYS  22  -7.056   3.666  -1.730
  150    HB3  LYS  22           2HB      LYS  22  -7.403   2.004  -2.169
  151    HG2  LYS  22           1HG      LYS  22  -9.519   2.060  -0.896
  152    HG3  LYS  22           2HG      LYS  22  -9.167   3.712  -0.364
  153    HD2  LYS  22           1HD      LYS  22  -9.197   4.482  -2.722
  154    HD3  LYS  22           2HD      LYS  22  -9.542   2.821  -3.257
  155    HE2  LYS  22           1HE      LYS  22 -11.640   2.832  -1.922
  156    HE3  LYS  22           2HE      LYS  22 -11.296   4.483  -1.390
  157    HZ1  LYS  22           3HZ      LYS  22 -11.438   5.192  -3.720
  158    HZ2  LYS  22           1HZ      LYS  22 -12.826   4.460  -3.276
  159    HZ3  LYS  22           2HZ      LYS  22 -11.755   3.665  -4.212
  160    H    GLY  23           H        GLY  23  -8.212   2.906   1.915
  161    HA2  GLY  23           1HA      GLY  23  -7.040   5.489   2.567
  162    HA3  GLY  23           2HA      GLY  23  -8.162   4.554   3.558
  163    H    THR  24           H        THR  24  -6.645   2.166   3.894
  164    HA   THR  24           HA       THR  24  -4.737   2.878   5.947
  165    HB   THR  24           HB       THR  24  -4.999   0.199   4.528
  166    HG1  THR  24           1HG      THR  24  -6.656   1.533   6.278
  167   HG21  THR  24          3HG2      THR  24  -3.045   0.435   6.070
  168   HG22  THR  24          1HG2      THR  24  -4.243  -0.730   6.658
  169   HG23  THR  24          2HG2      THR  24  -4.155   0.900   7.373
  170    H    LEU  25           H        LEU  25  -4.346   1.721   2.556
  171    HA   LEU  25           HA       LEU  25  -1.497   1.805   2.504
  172    HB2  LEU  25           1HB      LEU  25  -2.756   0.607   0.839
  173    HB3  LEU  25           2HB      LEU  25  -3.658   2.052   0.398
  174    HG   LEU  25           HG       LEU  25  -1.579   3.081  -0.521
  175   HD11  LEU  25          1HD1      LEU  25   0.410   1.690  -0.891
  176   HD12  LEU  25          2HD1      LEU  25  -0.334   0.347  -0.008
  177   HD13  LEU  25          3HD1      LEU  25   0.112   1.845   0.837
  178   HD21  LEU  25          3HD2      LEU  25  -2.210   0.342  -1.643
  179   HD22  LEU  25          1HD2      LEU  25  -1.476   1.698  -2.516
  180   HD23  LEU  25          2HD2      LEU  25  -3.147   1.829  -1.934
  181    H    LYS  26           H        LYS  26  -3.907   4.410   1.751
  182    HA   LYS  26           HA       LYS  26  -2.056   6.387   0.934
  183    HB2  LYS  26           1HB      LYS  26  -4.495   6.599   0.705
  184    HB3  LYS  26           2HB      LYS  26  -4.677   6.696   2.462
  185    HG2  LYS  26           1HG      LYS  26  -3.342   8.813   2.466
  186    HG3  LYS  26           2HG      LYS  26  -3.163   8.676   0.714
  187    HD2  LYS  26           1HD      LYS  26  -4.916  10.252   1.134
  188    HD3  LYS  26           2HD      LYS  26  -5.687   8.782   0.514
  189    HE2  LYS  26           1HE      LYS  26  -6.281   8.114   2.833
  190    HE3  LYS  26           2HE      LYS  26  -5.453   9.542   3.466
  191    HZ1  LYS  26           3HZ      LYS  26  -7.845   9.916   3.280
  192    HZ2  LYS  26           1HZ      LYS  26  -7.827   9.612   1.677
  193    HZ3  LYS  26           2HZ      LYS  26  -7.061  10.927   2.271
  194    H    SER  27           H        SER  27  -3.275   5.771   4.255
  195    HA   SER  27           HA       SER  27  -1.604   7.619   5.608
  196    HB2  SER  27           1HB      SER  27  -2.779   4.987   6.573
  197    HB3  SER  27           2HB      SER  27  -2.055   6.227   7.618
  198    HG   SER  27           HG       SER  27  -4.344   6.446   7.454
  199    H    HIS  28           H        HIS  28  -0.696   4.574   4.183
  200    HA   HIS  28           HA       HIS  28   1.892   4.474   5.627
  201    HB2  HIS  28           1HB      HIS  28   0.841   2.358   5.246
  202    HB3  HIS  28           2HB      HIS  28   0.606   2.694   3.534
  203    HD1  HIS  28           1HD      HIS  28   3.506   1.954   5.977
  204    HD2  HIS  28           2HD      HIS  28   2.584   2.204   1.882
  205    HE1  HIS  28           1HE      HIS  28   5.556   1.093   4.753
  206    H    LYS  29           H        LYS  29   0.712   5.122   2.276
  207    HA   LYS  29           HA       LYS  29   3.252   5.596   1.078
  208    HB2  LYS  29           1HB      LYS  29   0.437   6.531   0.428
  209    HB3  LYS  29           2HB      LYS  29   1.832   7.048  -0.526
  210    HG2  LYS  29           1HG      LYS  29   2.439   4.706  -0.994
  211    HG3  LYS  29           2HG      LYS  29   1.034   4.140  -0.072
  212    HD2  LYS  29           1HD      LYS  29  -0.501   5.207  -1.636
  213    HD3  LYS  29           2HD      LYS  29   0.842   6.019  -2.462
  214    HE2  LYS  29           1HE      LYS  29   1.767   3.815  -3.140
  215    HE3  LYS  29           2HE      LYS  29   0.386   3.013  -2.388
  216    HZ1  LYS  29           3HZ      LYS  29  -1.068   4.227  -3.946
  217    HZ2  LYS  29           1HZ      LYS  29   0.017   3.324  -4.767
  218    HZ3  LYS  29           2HZ      LYS  29   0.224   4.937  -4.649
  219    H    LEU  30           H        LEU  30   1.229   7.832   2.928
  220    HA   LEU  30           HA       LEU  30   2.707  10.226   2.482
  221    HB2  LEU  30           1HB      LEU  30   1.134   9.177   4.871
  222    HB3  LEU  30           2HB      LEU  30   1.783  10.812   4.813
  223    HG   LEU  30           HG       LEU  30  -0.179   9.735   2.743
  224   HD11  LEU  30          1HD1      LEU  30  -0.665  11.483   5.186
  225   HD12  LEU  30          2HD1      LEU  30  -1.170   9.792   4.998
  226   HD13  LEU  30          3HD1      LEU  30  -1.870  11.039   3.952
  227   HD21  LEU  30          3HD2      LEU  30   0.783  12.551   3.386
  228   HD22  LEU  30          1HD2      LEU  30  -0.519  12.138   2.246
  229   HD23  LEU  30          2HD2      LEU  30   1.137  11.624   1.909
  230    H    LEU  31           H        LEU  31   3.587   7.459   4.437
  231    HA   LEU  31           HA       LEU  31   5.553   8.862   6.070
  232    HB2  LEU  31           1HB      LEU  31   5.265   5.874   5.611
  233    HB3  LEU  31           2HB      LEU  31   6.107   6.665   6.932
  234    HG   LEU  31           HG       LEU  31   3.098   6.740   6.466
  235   HD11  LEU  31          1HD1      LEU  31   4.750   5.294   8.572
  236   HD12  LEU  31          2HD1      LEU  31   3.948   4.537   7.177
  237   HD13  LEU  31          3HD1      LEU  31   2.975   5.306   8.442
  238   HD21  LEU  31          3HD2      LEU  31   2.986   7.726   8.737
  239   HD22  LEU  31          1HD2      LEU  31   3.829   8.792   7.608
  240   HD23  LEU  31          2HD2      LEU  31   4.762   7.829   8.778
  241    H    HIS  32           H        HIS  32   5.705   7.619   2.847
  242    HA   HIS  32           HA       HIS  32   8.540   6.939   2.906
  243    HB2  HIS  32           1HB      HIS  32   6.397   7.011   0.777
  244    HB3  HIS  32           2HB      HIS  32   8.085   6.839   0.333
  245    HD1  HIS  32           1HD      HIS  32   9.403   4.707   1.672
  246    HD2  HIS  32           2HD      HIS  32   5.238   4.680   1.150
  247    HE1  HIS  32           1HE      HIS  32   8.705   2.282   1.873
  248    H    THR  33           H        THR  33   7.117   9.996   2.854
  249    HA   THR  33           HA       THR  33   9.667  11.170   1.961
  250    HB   THR  33           HB       THR  33   8.363  11.051  -0.110
  251    HG1  THR  33           1HG      THR  33   8.710  13.164  -0.654
  252   HG21  THR  33          3HG2      THR  33   6.412  12.462  -0.486
  253   HG22  THR  33          1HG2      THR  33   6.410  12.991   1.206
  254   HG23  THR  33          2HG2      THR  33   6.053  11.298   0.797
  255    H    ALA  34           H        ALA  34  10.002  13.307   2.534
  256    HA   ALA  34           HA       ALA  34   8.057  14.669   4.308
  257    HB1  ALA  34           1HB      ALA  34   9.699  13.525   5.770
  258    HB2  ALA  34           2HB      ALA  34  11.027  14.355   4.928
  259    HB3  ALA  34           3HB      ALA  34   9.846  15.287   5.875
  260    H    ASP  35           H        ASP  35   9.327  14.837   1.409
  261    HA   ASP  35           HA       ASP  35  10.514  17.547   1.471
  262    HB2  ASP  35           1HB      ASP  35  11.649  15.714   0.271
  263    HB3  ASP  35           2HB      ASP  35  10.236  15.519  -0.769
  264    H    GLY  36           H        GLY  36   9.780  19.272   0.200
  265    HA2  GLY  36           1HA      GLY  36   7.438  19.321  -1.441
  266    HA3  GLY  36           2HA      GLY  36   7.006  19.845   0.187
  Start of MODEL   11
    1    H1   GLY   1           1H       GLY   1  -1.032 -15.200 -24.364
    2    H2   GLY   1           2H       GLY   1  -1.011 -14.056 -23.190
    3    H3   GLY   1           3H       GLY   1  -2.056 -15.311 -23.090
    4    HA2  GLY   1           1HA      GLY   1  -0.252 -16.882 -22.838
    5    HA3  GLY   1           2HA      GLY   1   0.881 -15.524 -22.947
    6    H    SER   2           H        SER   2   1.254 -16.953 -20.803
    7    HA   SER   2           HA       SER   2  -0.358 -16.428 -18.503
    8    HB2  SER   2           1HB      SER   2   2.579 -17.201 -18.654
    9    HB3  SER   2           2HB      SER   2   1.522 -17.352 -17.238
   10    HG   SER   2           HG       SER   2   1.699 -19.325 -18.415
   11    H    SER   3           H        SER   3   0.051 -15.162 -16.650
   12    HA   SER   3           HA       SER   3   2.084 -13.022 -16.728
   13    HB2  SER   3           1HB      SER   3   0.134 -12.021 -17.850
   14    HB3  SER   3           2HB      SER   3  -0.890 -12.432 -16.461
   15    HG   SER   3           HG       SER   3  -0.018 -10.238 -16.483
   16    H    GLY   4           H        GLY   4   2.662 -12.250 -14.730
   17    HA2  GLY   4           1HA      GLY   4   1.884 -13.815 -12.344
   18    HA3  GLY   4           2HA      GLY   4   3.199 -12.648 -12.480
   19    H    SER   5           H        SER   5   0.759 -10.911 -13.777
   20    HA   SER   5           HA       SER   5   0.485  -9.242 -11.466
   21    HB2  SER   5           1HB      SER   5  -1.013  -9.204 -14.108
   22    HB3  SER   5           2HB      SER   5  -1.047  -7.916 -12.888
   23    HG   SER   5           HG       SER   5   0.517  -7.537 -14.547
   24    H    SER   6           H        SER   6  -1.266  -8.680 -10.207
   25    HA   SER   6           HA       SER   6  -3.840 -10.100 -10.420
   26    HB2  SER   6           1HB      SER   6  -2.509 -11.603  -9.009
   27    HB3  SER   6           2HB      SER   6  -2.100 -10.258  -7.926
   28    HG   SER   6           HG       SER   6  -3.914 -11.620  -7.267
   29    H    GLY   7           H        GLY   7  -5.532  -9.004  -9.504
   30    HA2  GLY   7           1HA      GLY   7  -5.128  -6.176  -8.717
   31    HA3  GLY   7           2HA      GLY   7  -6.651  -6.972  -9.105
   32    H    LYS   8           H        LYS   8  -5.175  -9.059  -6.974
   33    HA   LYS   8           HA       LYS   8  -7.054  -8.364  -4.869
   34    HB2  LYS   8           1HB      LYS   8  -4.905 -10.513  -5.018
   35    HB3  LYS   8           2HB      LYS   8  -6.080 -10.345  -3.706
   36    HG2  LYS   8           1HG      LYS   8  -7.948 -10.651  -5.310
   37    HG3  LYS   8           2HG      LYS   8  -6.797 -10.788  -6.642
   38    HD2  LYS   8           1HD      LYS   8  -7.519 -12.992  -6.046
   39    HD3  LYS   8           2HD      LYS   8  -5.819 -12.822  -5.590
   40    HE2  LYS   8           1HE      LYS   8  -6.488 -12.433  -3.228
   41    HE3  LYS   8           2HE      LYS   8  -8.195 -12.532  -3.687
   42    HZ1  LYS   8           3HZ      LYS   8  -7.809 -14.843  -4.363
   43    HZ2  LYS   8           1HZ      LYS   8  -7.389 -14.646  -2.800
   44    HZ3  LYS   8           2HZ      LYS   8  -6.232 -14.752  -3.945
   45    H    THR   9           H        THR   9  -6.802  -7.506  -2.960
   46    HA   THR   9           HA       THR   9  -6.050  -6.275  -1.229
   47    HB   THR   9           HB       THR   9  -3.178  -7.034  -1.630
   48    HG1  THR   9           1HG      THR   9  -5.152  -8.787  -0.611
   49   HG21  THR   9          3HG2      THR   9  -3.461  -7.456   0.905
   50   HG22  THR   9          1HG2      THR   9  -4.999  -6.599   0.755
   51   HG23  THR   9          2HG2      THR   9  -3.470  -5.785   0.330
   52    H    HIS  10           H        HIS  10  -4.961  -4.272  -0.579
   53    HA   HIS  10           HA       HIS  10  -4.164  -2.573  -2.881
   54    HB2  HIS  10           1HB      HIS  10  -4.474  -1.852   0.054
   55    HB3  HIS  10           2HB      HIS  10  -4.168  -0.748  -1.273
   56    HD1  HIS  10           1HD      HIS  10  -6.263  -0.081  -2.804
   57    HD2  HIS  10           2HD      HIS  10  -7.001  -2.918   0.211
   58    HE1  HIS  10           1HE      HIS  10  -8.801  -0.255  -2.592
   59    H    LEU  11           H        LEU  11  -2.034  -1.915  -3.223
   60    HA   LEU  11           HA       LEU  11   0.055  -3.174  -1.485
   61    HB2  LEU  11           1HB      LEU  11  -0.420  -4.662  -3.267
   62    HB3  LEU  11           2HB      LEU  11  -0.391  -3.364  -4.468
   63    HG   LEU  11           HG       LEU  11   2.074  -3.103  -4.089
   64   HD11  LEU  11          1HD1      LEU  11   3.293  -4.921  -2.958
   65   HD12  LEU  11          2HD1      LEU  11   1.760  -5.659  -2.452
   66   HD13  LEU  11          3HD1      LEU  11   2.253  -4.078  -1.811
   67   HD21  LEU  11          3HD2      LEU  11   2.697  -5.147  -5.296
   68   HD22  LEU  11          1HD2      LEU  11   1.189  -4.472  -5.931
   69   HD23  LEU  11          2HD2      LEU  11   1.142  -5.896  -4.866
   70    H    CYS  12           H        CYS  12   1.762  -2.082  -1.026
   71    HA   CYS  12           HA       CYS  12   2.314   0.621  -1.981
   72    HB2  CYS  12           1HB      CYS  12   2.708  -0.183   0.349
   73    HB3  CYS  12           2HB      CYS  12   3.904  -1.323  -0.268
   74    H    ASP  13           H        ASP  13   3.219   0.945  -3.956
   75    HA   ASP  13           HA       ASP  13   4.930  -1.059  -5.250
   76    HB2  ASP  13           1HB      ASP  13   4.982   0.484  -7.110
   77    HB3  ASP  13           2HB      ASP  13   3.331   0.230  -6.564
   78    H    MET  14           H        MET  14   5.538   1.048  -2.773
   79    HA   MET  14           HA       MET  14   8.215   1.951  -3.713
   80    HB2  MET  14           1HB      MET  14   6.633   2.697  -1.239
   81    HB3  MET  14           2HB      MET  14   8.140   3.415  -1.771
   82    HG2  MET  14           1HG      MET  14   7.027   4.220  -3.826
   83    HG3  MET  14           2HG      MET  14   5.504   3.503  -3.287
   84    HE1  MET  14           3HE      MET  14   4.725   7.286  -2.911
   85    HE2  MET  14           1HE      MET  14   5.709   6.508  -4.176
   86    HE3  MET  14           2HE      MET  14   4.220   5.724  -3.597
   87    H    CYS  15           H        CYS  15   6.739   0.029  -1.102
   88    HA   CYS  15           HA       CYS  15   9.393  -1.204  -0.596
   89    HB2  CYS  15           1HB      CYS  15   9.177  -1.199   1.736
   90    HB3  CYS  15           2HB      CYS  15   9.058   0.441   1.125
   91    H    GLY  16           H        GLY  16   6.257  -1.818  -1.530
   92    HA2  GLY  16           1HA      GLY  16   5.549  -3.892  -2.341
   93    HA3  GLY  16           2HA      GLY  16   6.859  -4.681  -1.485
   94    H    LYS  17           H        LYS  17   5.031  -2.774   0.655
   95    HA   LYS  17           HA       LYS  17   3.902  -5.123   1.999
   96    HB2  LYS  17           1HB      LYS  17   3.843  -2.147   2.640
   97    HB3  LYS  17           2HB      LYS  17   3.174  -3.401   3.688
   98    HG2  LYS  17           1HG      LYS  17   5.402  -4.460   3.889
   99    HG3  LYS  17           2HG      LYS  17   6.076  -3.249   2.781
  100    HD2  LYS  17           1HD      LYS  17   5.385  -1.450   4.412
  101    HD3  LYS  17           2HD      LYS  17   4.902  -2.720   5.540
  102    HE2  LYS  17           1HE      LYS  17   7.129  -1.851   6.079
  103    HE3  LYS  17           2HE      LYS  17   7.210  -3.562   5.646
  104    HZ1  LYS  17           3HZ      LYS  17   7.756  -1.415   3.662
  105    HZ2  LYS  17           1HZ      LYS  17   8.111  -2.991   3.529
  106    HZ3  LYS  17           2HZ      LYS  17   8.947  -2.076   4.594
  107    H    LYS  18           H        LYS  18   1.887  -5.790   2.197
  108    HA   LYS  18           HA       LYS  18  -0.235  -4.543   0.571
  109    HB2  LYS  18           1HB      LYS  18   0.294  -7.248   1.776
  110    HB3  LYS  18           2HB      LYS  18  -1.373  -6.758   1.537
  111    HG2  LYS  18           1HG      LYS  18  -0.947  -6.276  -0.845
  112    HG3  LYS  18           2HG      LYS  18   0.754  -6.755  -0.651
  113    HD2  LYS  18           1HD      LYS  18   0.138  -9.018  -0.099
  114    HD3  LYS  18           2HD      LYS  18  -1.572  -8.584   0.041
  115    HE2  LYS  18           1HE      LYS  18  -1.251  -7.779  -2.485
  116    HE3  LYS  18           2HE      LYS  18   0.097  -8.920  -2.458
  117    HZ1  LYS  18           3HZ      LYS  18  -2.745  -9.545  -1.803
  118    HZ2  LYS  18           1HZ      LYS  18  -1.520 -10.643  -1.764
  119    HZ3  LYS  18           2HZ      LYS  18  -1.980  -9.969  -3.184
  120    H    PHE  19           H        PHE  19  -2.142  -3.870   1.232
  121    HA   PHE  19           HA       PHE  19  -2.754  -3.563   4.134
  122    HB2  PHE  19           1HB      PHE  19  -2.824  -1.412   1.983
  123    HB3  PHE  19           2HB      PHE  19  -3.420  -1.203   3.620
  124    HD1  PHE  19           2HD      PHE  19  -1.804  -1.405   5.588
  125    HD2  PHE  19           1HD      PHE  19  -0.461  -1.298   1.494
  126    HE1  PHE  19           2HE      PHE  19   0.502  -0.899   6.356
  127    HE2  PHE  19           1HE      PHE  19   1.839  -0.813   2.265
  128    HZ   PHE  19           HZ       PHE  19   2.333  -0.626   4.697
  129    H    LYS  20           H        LYS  20  -4.927  -3.387   4.693
  130    HA   LYS  20           HA       LYS  20  -6.755  -4.783   2.900
  131    HB2  LYS  20           1HB      LYS  20  -8.211  -4.953   4.807
  132    HB3  LYS  20           2HB      LYS  20  -6.561  -5.348   5.278
  133    HG2  LYS  20           1HG      LYS  20  -6.304  -3.073   6.281
  134    HG3  LYS  20           2HG      LYS  20  -7.966  -2.682   5.802
  135    HD2  LYS  20           1HD      LYS  20  -8.813  -4.541   7.211
  136    HD3  LYS  20           2HD      LYS  20  -7.147  -4.934   7.693
  137    HE2  LYS  20           1HE      LYS  20  -6.900  -2.661   8.669
  138    HE3  LYS  20           2HE      LYS  20  -8.554  -2.268   8.185
  139    HZ1  LYS  20           3HZ      LYS  20  -8.455  -2.974  10.506
  140    HZ2  LYS  20           1HZ      LYS  20  -7.808  -4.414  10.102
  141    HZ3  LYS  20           2HZ      LYS  20  -9.337  -4.050   9.656
  142    H    SER  21           H        SER  21  -6.141  -1.506   3.155
  143    HA   SER  21           HA       SER  21  -8.553  -0.844   1.606
  144    HB2  SER  21           1HB      SER  21  -9.362  -0.448   3.855
  145    HB3  SER  21           2HB      SER  21  -7.918   0.496   4.259
  146    HG   SER  21           HG       SER  21  -9.857   1.721   3.642
  147    H    LYS  22           H        LYS  22  -8.324   0.964   0.333
  148    HA   LYS  22           HA       LYS  22  -5.718   1.988  -0.364
  149    HB2  LYS  22           1HB      LYS  22  -7.010   3.699  -1.653
  150    HB3  LYS  22           2HB      LYS  22  -7.384   2.029  -2.052
  151    HG2  LYS  22           1HG      LYS  22  -9.494   2.124  -0.827
  152    HG3  LYS  22           2HG      LYS  22  -9.089   3.709  -0.171
  153    HD2  LYS  22           1HD      LYS  22 -10.693   3.985  -1.937
  154    HD3  LYS  22           2HD      LYS  22  -9.152   4.686  -2.450
  155    HE2  LYS  22           1HE      LYS  22  -8.671   2.646  -3.791
  156    HE3  LYS  22           2HE      LYS  22 -10.189   1.920  -3.238
  157    HZ1  LYS  22           3HZ      LYS  22 -11.380   3.733  -4.350
  158    HZ2  LYS  22           1HZ      LYS  22 -10.438   2.947  -5.425
  159    HZ3  LYS  22           2HZ      LYS  22  -9.980   4.406  -4.858
  160    H    GLY  23           H        GLY  23  -8.094   3.036   2.016
  161    HA2  GLY  23           1HA      GLY  23  -6.936   5.628   2.602
  162    HA3  GLY  23           2HA      GLY  23  -7.984   4.666   3.655
  163    H    THR  24           H        THR  24  -6.512   2.356   4.064
  164    HA   THR  24           HA       THR  24  -4.504   3.090   5.956
  165    HB   THR  24           HB       THR  24  -4.832   0.379   4.620
  166    HG1  THR  24           1HG      THR  24  -6.211   0.006   6.451
  167   HG21  THR  24          3HG2      THR  24  -3.886   1.172   7.413
  168   HG22  THR  24          1HG2      THR  24  -2.827   0.646   6.090
  169   HG23  THR  24          2HG2      THR  24  -4.010  -0.484   6.769
  170    H    LEU  25           H        LEU  25  -4.202   1.832   2.582
  171    HA   LEU  25           HA       LEU  25  -1.358   1.864   2.462
  172    HB2  LEU  25           1HB      LEU  25  -2.693   0.693   0.831
  173    HB3  LEU  25           2HB      LEU  25  -3.558   2.164   0.401
  174    HG   LEU  25           HG       LEU  25  -1.464   3.121  -0.560
  175   HD11  LEU  25          1HD1      LEU  25   0.461   1.645  -0.982
  176   HD12  LEU  25          2HD1      LEU  25  -0.305   0.351  -0.041
  177   HD13  LEU  25          3HD1      LEU  25   0.222   1.852   0.754
  178   HD21  LEU  25          3HD2      LEU  25  -2.199   0.401  -1.667
  179   HD22  LEU  25          1HD2      LEU  25  -1.437   1.741  -2.551
  180   HD23  LEU  25          2HD2      LEU  25  -3.093   1.920  -1.940
  181    H    LYS  26           H        LYS  26  -3.734   4.509   1.743
  182    HA   LYS  26           HA       LYS  26  -1.784   6.431   0.938
  183    HB2  LYS  26           1HB      LYS  26  -4.173   6.690   0.523
  184    HB3  LYS  26           2HB      LYS  26  -4.501   6.846   2.256
  185    HG2  LYS  26           1HG      LYS  26  -3.116   8.883   2.364
  186    HG3  LYS  26           2HG      LYS  26  -2.723   8.736   0.653
  187    HD2  LYS  26           1HD      LYS  26  -5.502   9.158   1.842
  188    HD3  LYS  26           2HD      LYS  26  -4.506  10.428   1.143
  189    HE2  LYS  26           1HE      LYS  26  -5.590   8.016  -0.389
  190    HE3  LYS  26           2HE      LYS  26  -6.341   9.608  -0.350
  191    HZ1  LYS  26           3HZ      LYS  26  -4.326  10.530  -1.364
  192    HZ2  LYS  26           1HZ      LYS  26  -4.966   9.374  -2.315
  193    HZ3  LYS  26           2HZ      LYS  26  -3.632   9.050  -1.437
  194    H    SER  27           H        SER  27  -3.200   5.880   4.203
  195    HA   SER  27           HA       SER  27  -1.583   7.712   5.635
  196    HB2  SER  27           1HB      SER  27  -2.783   5.065   6.519
  197    HB3  SER  27           2HB      SER  27  -2.066   6.266   7.610
  198    HG   SER  27           HG       SER  27  -4.348   6.520   7.413
  199    H    HIS  28           H        HIS  28  -0.691   4.584   4.334
  200    HA   HIS  28           HA       HIS  28   1.860   4.450   5.812
  201    HB2  HIS  28           1HB      HIS  28   0.830   2.364   5.326
  202    HB3  HIS  28           2HB      HIS  28   0.578   2.772   3.636
  203    HD1  HIS  28           1HD      HIS  28   3.524   1.932   5.996
  204    HD2  HIS  28           2HD      HIS  28   2.478   2.225   1.933
  205    HE1  HIS  28           1HE      HIS  28   5.501   1.003   4.704
  206    H    LYS  29           H        LYS  29   0.825   5.255   2.446
  207    HA   LYS  29           HA       LYS  29   3.471   5.774   1.475
  208    HB2  LYS  29           1HB      LYS  29   0.685   6.493   0.529
  209    HB3  LYS  29           2HB      LYS  29   2.120   7.143  -0.285
  210    HG2  LYS  29           1HG      LYS  29   3.015   4.874  -0.608
  211    HG3  LYS  29           2HG      LYS  29   1.578   4.170   0.154
  212    HD2  LYS  29           1HD      LYS  29   0.153   4.918  -1.637
  213    HD3  LYS  29           2HD      LYS  29   1.417   5.989  -2.280
  214    HE2  LYS  29           1HE      LYS  29   2.856   4.010  -2.734
  215    HE3  LYS  29           2HE      LYS  29   1.555   2.943  -2.205
  216    HZ1  LYS  29           3HZ      LYS  29   1.272   4.881  -4.442
  217    HZ2  LYS  29           1HZ      LYS  29   0.229   3.672  -4.064
  218    HZ3  LYS  29           2HZ      LYS  29   1.733   3.337  -4.657
  219    H    LEU  30           H        LEU  30   1.296   7.907   3.238
  220    HA   LEU  30           HA       LEU  30   2.793  10.328   2.946
  221    HB2  LEU  30           1HB      LEU  30   1.121   9.198   5.220
  222    HB3  LEU  30           2HB      LEU  30   1.784  10.827   5.250
  223    HG   LEU  30           HG       LEU  30  -0.115   9.841   3.078
  224   HD11  LEU  30          1HD1      LEU  30  -1.822  11.114   4.283
  225   HD12  LEU  30          2HD1      LEU  30  -0.637  11.540   5.546
  226   HD13  LEU  30          3HD1      LEU  30  -1.135   9.853   5.326
  227   HD21  LEU  30          3HD2      LEU  30   1.252  11.736   2.332
  228   HD22  LEU  30          1HD2      LEU  30   0.869  12.627   3.821
  229   HD23  LEU  30          2HD2      LEU  30  -0.406  12.263   2.635
  230    H    LEU  31           H        LEU  31   3.607   7.450   4.714
  231    HA   LEU  31           HA       LEU  31   5.744   8.727   6.285
  232    HB2  LEU  31           1HB      LEU  31   5.301   5.762   5.835
  233    HB3  LEU  31           2HB      LEU  31   6.251   6.525   7.094
  234    HG   LEU  31           HG       LEU  31   3.215   6.684   6.841
  235   HD11  LEU  31          1HD1      LEU  31   3.201   5.251   8.824
  236   HD12  LEU  31          2HD1      LEU  31   4.978   5.182   8.813
  237   HD13  LEU  31          3HD1      LEU  31   4.044   4.458   7.484
  238   HD21  LEU  31          3HD2      LEU  31   4.092   8.711   7.929
  239   HD22  LEU  31          1HD2      LEU  31   5.071   7.714   9.032
  240   HD23  LEU  31          2HD2      LEU  31   3.295   7.669   9.113
  241    H    HIS  32           H        HIS  32   5.512   7.400   3.061
  242    HA   HIS  32           HA       HIS  32   8.435   7.064   2.759
  243    HB2  HIS  32           1HB      HIS  32   6.112   6.863   0.810
  244    HB3  HIS  32           2HB      HIS  32   7.796   6.755   0.328
  245    HD1  HIS  32           1HD      HIS  32   9.178   4.720   1.944
  246    HD2  HIS  32           2HD      HIS  32   5.123   4.472   0.890
  247    HE1  HIS  32           1HE      HIS  32   8.597   2.252   2.016
  248    H    THR  33           H        THR  33   5.959   9.535   2.037
  249    HA   THR  33           HA       THR  33   7.761  11.244   0.526
  250    HB   THR  33           HB       THR  33   5.996  12.997   0.924
  251    HG1  THR  33           1HG      THR  33   5.143  12.037   2.862
  252   HG21  THR  33          3HG2      THR  33   5.977  11.550  -1.085
  253   HG22  THR  33          1HG2      THR  33   4.337  11.949  -0.542
  254   HG23  THR  33          2HG2      THR  33   5.013  10.340  -0.207
  255    H    ALA  34           H        ALA  34   8.787  13.146   1.136
  256    HA   ALA  34           HA       ALA  34   9.008  13.858   3.996
  257    HB1  ALA  34           1HB      ALA  34  11.388  12.992   2.287
  258    HB2  ALA  34           2HB      ALA  34  11.466  13.629   3.946
  259    HB3  ALA  34           3HB      ALA  34  10.687  12.068   3.636
  260    H    ASP  35           H        ASP  35  10.241  15.844   4.352
  261    HA   ASP  35           HA       ASP  35   9.671  17.861   2.308
  262    HB2  ASP  35           1HB      ASP  35  10.061  19.451   4.046
  263    HB3  ASP  35           2HB      ASP  35   9.041  18.165   4.670
  264    H    GLY  36           H        GLY  36  12.357  15.944   2.861
  265    HA2  GLY  36           1HA      GLY  36  14.407  15.908   1.747
  266    HA3  GLY  36           2HA      GLY  36  14.075  17.499   1.073
  Start of MODEL   12
    1    H1   GLY   1           1H       GLY   1  -6.477 -24.200 -14.572
    2    H2   GLY   1           2H       GLY   1  -7.864 -24.030 -15.429
    3    H3   GLY   1           3H       GLY   1  -7.686 -23.258 -13.995
    4    HA2  GLY   1           1HA      GLY   1  -6.130 -22.721 -16.443
    5    HA3  GLY   1           2HA      GLY   1  -7.426 -21.694 -15.801
    6    H    SER   2           H        SER   2  -5.955 -19.929 -15.660
    7    HA   SER   2           HA       SER   2  -3.501 -19.977 -14.198
    8    HB2  SER   2           1HB      SER   2  -5.289 -17.613 -14.878
    9    HB3  SER   2           2HB      SER   2  -3.580 -17.540 -14.398
   10    HG   SER   2           HG       SER   2  -3.845 -17.464 -16.683
   11    H    SER   3           H        SER   3  -2.929 -18.944 -12.237
   12    HA   SER   3           HA       SER   3  -4.705 -19.560 -10.059
   13    HB2  SER   3           1HB      SER   3  -1.976 -18.231  -9.988
   14    HB3  SER   3           2HB      SER   3  -2.805 -19.037  -8.642
   15    HG   SER   3           HG       SER   3  -1.267 -20.411  -9.650
   16    H    GLY   4           H        GLY   4  -4.796 -16.776 -11.838
   17    HA2  GLY   4           1HA      GLY   4  -4.858 -14.690  -9.864
   18    HA3  GLY   4           2HA      GLY   4  -5.523 -14.610 -11.492
   19    H    SER   5           H        SER   5  -6.747 -13.317  -9.426
   20    HA   SER   5           HA       SER   5  -9.398 -14.623  -9.245
   21    HB2  SER   5           1HB      SER   5  -8.168 -15.319  -7.205
   22    HB3  SER   5           2HB      SER   5  -7.880 -13.616  -6.804
   23    HG   SER   5           HG       SER   5  -9.743 -14.636  -5.763
   24    H    SER   6           H        SER   6 -11.103 -13.175  -8.679
   25    HA   SER   6           HA       SER   6 -10.770 -10.370  -9.476
   26    HB2  SER   6           1HB      SER   6 -13.201 -10.248  -9.000
   27    HB3  SER   6           2HB      SER   6 -12.775 -11.523 -10.153
   28    HG   SER   6           HG       SER   6 -14.258 -12.257  -8.550
   29    H    GLY   7           H        GLY   7 -10.647 -12.181  -6.504
   30    HA2  GLY   7           1HA      GLY   7 -11.054  -9.913  -4.685
   31    HA3  GLY   7           2HA      GLY   7 -10.420 -11.507  -4.274
   32    H    LYS   8           H        LYS   8  -9.555  -8.442  -4.119
   33    HA   LYS   8           HA       LYS   8  -6.652  -8.846  -4.715
   34    HB2  LYS   8           1HB      LYS   8  -8.386  -6.518  -5.662
   35    HB3  LYS   8           2HB      LYS   8  -6.618  -6.541  -5.720
   36    HG2  LYS   8           1HG      LYS   8  -6.683  -8.528  -7.192
   37    HG3  LYS   8           2HG      LYS   8  -8.458  -8.448  -7.200
   38    HD2  LYS   8           1HD      LYS   8  -8.358  -6.155  -8.149
   39    HD3  LYS   8           2HD      LYS   8  -6.576  -6.249  -8.169
   40    HE2  LYS   8           1HE      LYS   8  -6.707  -8.259  -9.598
   41    HE3  LYS   8           2HE      LYS   8  -8.474  -8.164  -9.579
   42    HZ1  LYS   8           3HZ      LYS   8  -7.555  -7.149 -11.597
   43    HZ2  LYS   8           1HZ      LYS   8  -6.669  -6.092 -10.726
   44    HZ3  LYS   8           2HZ      LYS   8  -8.301  -6.002 -10.709
   45    H    THR   9           H        THR   9  -5.275  -7.209  -3.840
   46    HA   THR   9           HA       THR   9  -6.145  -6.052  -1.213
   47    HB   THR   9           HB       THR   9  -3.533  -7.514  -1.771
   48    HG1  THR   9           1HG      THR   9  -4.415  -9.153  -0.511
   49   HG21  THR   9          3HG2      THR   9  -3.289  -5.907   0.060
   50   HG22  THR   9          1HG2      THR   9  -3.342  -7.545   0.717
   51   HG23  THR   9          2HG2      THR   9  -4.781  -6.510   0.825
   52    H    HIS  10           H        HIS  10  -5.082  -4.078  -0.630
   53    HA   HIS  10           HA       HIS  10  -3.998  -2.551  -2.892
   54    HB2  HIS  10           1HB      HIS  10  -4.498  -1.842   0.023
   55    HB3  HIS  10           2HB      HIS  10  -3.798  -0.743  -1.152
   56    HD1  HIS  10           1HD      HIS  10  -5.427   0.294  -2.994
   57    HD2  HIS  10           2HD      HIS  10  -7.158  -2.494  -0.361
   58    HE1  HIS  10           1HE      HIS  10  -7.943   0.474  -3.324
   59    H    LEU  11           H        LEU  11  -1.885  -2.083  -3.297
   60    HA   LEU  11           HA       LEU  11   0.202  -3.226  -1.484
   61    HB2  LEU  11           1HB      LEU  11  -0.206  -4.856  -3.126
   62    HB3  LEU  11           2HB      LEU  11  -0.308  -3.664  -4.427
   63    HG   LEU  11           HG       LEU  11   2.144  -3.250  -4.236
   64   HD11  LEU  11          1HD1      LEU  11   2.101  -5.629  -2.329
   65   HD12  LEU  11          2HD1      LEU  11   2.521  -3.965  -1.877
   66   HD13  LEU  11          3HD1      LEU  11   3.543  -4.854  -3.008
   67   HD21  LEU  11          3HD2      LEU  11   1.226  -4.878  -5.843
   68   HD22  LEU  11          1HD2      LEU  11   1.331  -6.161  -4.615
   69   HD23  LEU  11          2HD2      LEU  11   2.811  -5.394  -5.242
   70    H    CYS  12           H        CYS  12   1.871  -2.041  -1.083
   71    HA   CYS  12           HA       CYS  12   2.244   0.610  -2.251
   72    HB2  CYS  12           1HB      CYS  12   2.462  -0.160   0.208
   73    HB3  CYS  12           2HB      CYS  12   3.987  -0.873  -0.263
   74    H    ASP  13           H        ASP  13   3.075   0.513  -4.350
   75    HA   ASP  13           HA       ASP  13   5.012  -1.337  -5.298
   76    HB2  ASP  13           1HB      ASP  13   3.465   0.093  -6.648
   77    HB3  ASP  13           2HB      ASP  13   4.447   1.501  -6.242
   78    H    MET  14           H        MET  14   5.502   1.154  -3.060
   79    HA   MET  14           HA       MET  14   8.210   1.979  -3.827
   80    HB2  MET  14           1HB      MET  14   6.446   2.555  -1.418
   81    HB3  MET  14           2HB      MET  14   8.003   3.312  -1.709
   82    HG2  MET  14           1HG      MET  14   7.228   4.379  -3.688
   83    HG3  MET  14           2HG      MET  14   5.717   3.475  -3.705
   84    HE1  MET  14           3HE      MET  14   4.551   7.173  -2.978
   85    HE2  MET  14           1HE      MET  14   5.951   6.690  -3.967
   86    HE3  MET  14           2HE      MET  14   4.421   5.788  -4.088
   87    H    CYS  15           H        CYS  15   6.753  -0.054  -1.324
   88    HA   CYS  15           HA       CYS  15   9.446  -1.065  -0.507
   89    HB2  CYS  15           1HB      CYS  15   8.709  -1.108   1.796
   90    HB3  CYS  15           2HB      CYS  15   8.689   0.521   1.120
   91    H    GLY  16           H        GLY  16   6.157  -1.905  -1.333
   92    HA2  GLY  16           1HA      GLY  16   5.564  -4.018  -2.173
   93    HA3  GLY  16           2HA      GLY  16   6.877  -4.781  -1.286
   94    H    LYS  17           H        LYS  17   5.210  -2.717   0.831
   95    HA   LYS  17           HA       LYS  17   3.947  -4.926   2.253
   96    HB2  LYS  17           1HB      LYS  17   3.961  -1.916   2.714
   97    HB3  LYS  17           2HB      LYS  17   3.155  -3.072   3.779
   98    HG2  LYS  17           1HG      LYS  17   5.325  -4.263   4.119
   99    HG3  LYS  17           2HG      LYS  17   6.137  -3.045   3.118
  100    HD2  LYS  17           1HD      LYS  17   5.465  -1.276   4.720
  101    HD3  LYS  17           2HD      LYS  17   4.649  -2.498   5.725
  102    HE2  LYS  17           1HE      LYS  17   6.822  -3.714   5.963
  103    HE3  LYS  17           2HE      LYS  17   7.620  -2.455   5.013
  104    HZ1  LYS  17           3HZ      LYS  17   7.880  -2.081   7.401
  105    HZ2  LYS  17           1HZ      LYS  17   6.268  -2.015   7.627
  106    HZ3  LYS  17           2HZ      LYS  17   7.023  -0.855   6.754
  107    H    LYS  18           H        LYS  18   1.887  -5.394   2.629
  108    HA   LYS  18           HA       LYS  18  -0.136  -4.397   0.678
  109    HB2  LYS  18           1HB      LYS  18   0.374  -7.089   1.955
  110    HB3  LYS  18           2HB      LYS  18  -1.207  -6.684   1.291
  111    HG2  LYS  18           1HG      LYS  18  -0.314  -6.283  -0.914
  112    HG3  LYS  18           2HG      LYS  18   1.352  -6.410  -0.324
  113    HD2  LYS  18           1HD      LYS  18   0.984  -8.772   0.284
  114    HD3  LYS  18           2HD      LYS  18  -0.691  -8.672  -0.311
  115    HE2  LYS  18           1HE      LYS  18   0.155  -8.101  -2.580
  116    HE3  LYS  18           2HE      LYS  18   1.819  -8.184  -1.986
  117    HZ1  LYS  18           3HZ      LYS  18   1.456 -10.543  -1.489
  118    HZ2  LYS  18           1HZ      LYS  18   1.163 -10.258  -3.068
  119    HZ3  LYS  18           2HZ      LYS  18  -0.084 -10.470  -2.036
  120    H    PHE  19           H        PHE  19  -2.142  -3.871   1.248
  121    HA   PHE  19           HA       PHE  19  -2.850  -3.539   4.129
  122    HB2  PHE  19           1HB      PHE  19  -2.857  -1.404   1.962
  123    HB3  PHE  19           2HB      PHE  19  -3.448  -1.186   3.599
  124    HD1  PHE  19           2HD      PHE  19  -1.829  -1.380   5.562
  125    HD2  PHE  19           1HD      PHE  19  -0.493  -1.301   1.468
  126    HE1  PHE  19           2HE      PHE  19   0.469  -0.833   6.324
  127    HE2  PHE  19           1HE      PHE  19   1.803  -0.762   2.232
  128    HZ   PHE  19           HZ       PHE  19   2.293  -0.540   4.659
  129    H    LYS  20           H        LYS  20  -5.049  -3.174   4.594
  130    HA   LYS  20           HA       LYS  20  -6.832  -4.779   2.982
  131    HB2  LYS  20           1HB      LYS  20  -6.711  -4.734   5.475
  132    HB3  LYS  20           2HB      LYS  20  -7.398  -3.103   5.464
  133    HG2  LYS  20           1HG      LYS  20  -9.490  -3.958   4.492
  134    HG3  LYS  20           2HG      LYS  20  -8.766  -5.557   4.269
  135    HD2  LYS  20           1HD      LYS  20 -10.236  -5.602   6.182
  136    HD3  LYS  20           2HD      LYS  20  -8.567  -5.816   6.728
  137    HE2  LYS  20           1HE      LYS  20  -8.476  -3.419   7.389
  138    HE3  LYS  20           2HE      LYS  20 -10.126  -3.186   6.796
  139    HZ1  LYS  20           3HZ      LYS  20 -10.088  -3.550   9.197
  140    HZ2  LYS  20           1HZ      LYS  20  -9.357  -4.998   9.025
  141    HZ3  LYS  20           2HZ      LYS  20 -10.882  -4.780   8.480
  142    H    SER  21           H        SER  21  -6.443  -1.301   3.277
  143    HA   SER  21           HA       SER  21  -8.543  -0.848   1.216
  144    HB2  SER  21           1HB      SER  21  -9.635  -0.571   3.404
  145    HB3  SER  21           2HB      SER  21  -8.402   0.610   3.881
  146    HG   SER  21           HG       SER  21 -10.393   1.523   3.028
  147    H    LYS  22           H        LYS  22  -8.410   1.206   0.177
  148    HA   LYS  22           HA       LYS  22  -5.764   2.093  -0.483
  149    HB2  LYS  22           1HB      LYS  22  -8.097   2.278  -1.765
  150    HB3  LYS  22           2HB      LYS  22  -8.198   3.832  -0.934
  151    HG2  LYS  22           1HG      LYS  22  -6.000   4.471  -1.917
  152    HG3  LYS  22           2HG      LYS  22  -5.915   2.904  -2.740
  153    HD2  LYS  22           1HD      LYS  22  -8.024   3.434  -3.949
  154    HD3  LYS  22           2HD      LYS  22  -8.077   5.023  -3.182
  155    HE2  LYS  22           1HE      LYS  22  -5.806   4.014  -4.964
  156    HE3  LYS  22           2HE      LYS  22  -7.168   4.977  -5.540
  157    HZ1  LYS  22           3HZ      LYS  22  -5.273   6.389  -5.069
  158    HZ2  LYS  22           1HZ      LYS  22  -5.188   5.889  -3.520
  159    HZ3  LYS  22           2HZ      LYS  22  -6.475   6.762  -4.035
  160    H    GLY  23           H        GLY  23  -8.151   3.324   1.835
  161    HA2  GLY  23           1HA      GLY  23  -6.753   5.739   2.583
  162    HA3  GLY  23           2HA      GLY  23  -7.970   4.887   3.538
  163    H    THR  24           H        THR  24  -6.568   2.359   3.763
  164    HA   THR  24           HA       THR  24  -4.727   2.846   5.923
  165    HB   THR  24           HB       THR  24  -4.946   0.282   4.315
  166    HG1  THR  24           1HG      THR  24  -6.610   1.118   6.449
  167   HG21  THR  24          3HG2      THR  24  -4.462  -0.795   6.450
  168   HG22  THR  24          1HG2      THR  24  -4.435   0.784   7.275
  169   HG23  THR  24          2HG2      THR  24  -3.195   0.387   6.071
  170    H    LEU  25           H        LEU  25  -4.240   1.793   2.503
  171    HA   LEU  25           HA       LEU  25  -1.388   1.779   2.545
  172    HB2  LEU  25           1HB      LEU  25  -2.637   0.696   0.790
  173    HB3  LEU  25           2HB      LEU  25  -3.479   2.186   0.389
  174    HG   LEU  25           HG       LEU  25  -1.332   3.178  -0.428
  175   HD11  LEU  25          1HD1      LEU  25   0.613   1.710  -0.808
  176   HD12  LEU  25          2HD1      LEU  25  -0.219   0.370  -0.010
  177   HD13  LEU  25          3HD1      LEU  25   0.261   1.811   0.915
  178   HD21  LEU  25          3HD2      LEU  25  -1.244   1.927  -2.489
  179   HD22  LEU  25          1HD2      LEU  25  -2.926   2.019  -1.929
  180   HD23  LEU  25          2HD2      LEU  25  -1.993   0.516  -1.718
  181    H    LYS  26           H        LYS  26  -3.682   4.444   1.717
  182    HA   LYS  26           HA       LYS  26  -1.753   6.439   1.134
  183    HB2  LYS  26           1HB      LYS  26  -4.158   6.643   0.645
  184    HB3  LYS  26           2HB      LYS  26  -4.532   6.687   2.371
  185    HG2  LYS  26           1HG      LYS  26  -3.239   8.796   2.610
  186    HG3  LYS  26           2HG      LYS  26  -2.800   8.717   0.902
  187    HD2  LYS  26           1HD      LYS  26  -4.582  10.306   1.132
  188    HD3  LYS  26           2HD      LYS  26  -5.251   8.881   0.318
  189    HE2  LYS  26           1HE      LYS  26  -6.222   8.104   2.466
  190    HE3  LYS  26           2HE      LYS  26  -5.492   9.478   3.306
  191    HZ1  LYS  26           3HZ      LYS  26  -6.870  10.959   1.947
  192    HZ2  LYS  26           1HZ      LYS  26  -7.818   9.911   2.759
  193    HZ3  LYS  26           2HZ      LYS  26  -7.546   9.693   1.165
  194    H    SER  27           H        SER  27  -3.257   5.661   4.282
  195    HA   SER  27           HA       SER  27  -1.834   7.558   5.860
  196    HB2  SER  27           1HB      SER  27  -2.901   4.823   6.674
  197    HB3  SER  27           2HB      SER  27  -2.416   6.123   7.774
  198    HG   SER  27           HG       SER  27  -4.578   6.082   5.930
  199    H    HIS  28           H        HIS  28  -0.750   4.512   4.530
  200    HA   HIS  28           HA       HIS  28   1.715   4.403   6.163
  201    HB2  HIS  28           1HB      HIS  28   0.880   2.277   5.639
  202    HB3  HIS  28           2HB      HIS  28   0.504   2.705   3.976
  203    HD1  HIS  28           1HD      HIS  28   3.667   2.051   6.117
  204    HD2  HIS  28           2HD      HIS  28   2.303   2.295   2.149
  205    HE1  HIS  28           1HE      HIS  28   5.628   1.346   4.666
  206    H    LYS  29           H        LYS  29   0.824   5.200   2.762
  207    HA   LYS  29           HA       LYS  29   3.475   5.676   1.852
  208    HB2  LYS  29           1HB      LYS  29   0.751   6.573   0.850
  209    HB3  LYS  29           2HB      LYS  29   2.254   7.062   0.052
  210    HG2  LYS  29           1HG      LYS  29   2.895   4.636  -0.107
  211    HG3  LYS  29           2HG      LYS  29   1.253   4.218   0.428
  212    HD2  LYS  29           1HD      LYS  29   0.312   5.555  -1.448
  213    HD3  LYS  29           2HD      LYS  29   1.942   5.998  -1.957
  214    HE2  LYS  29           1HE      LYS  29   0.678   3.259  -2.059
  215    HE3  LYS  29           2HE      LYS  29   1.110   4.333  -3.388
  216    HZ1  LYS  29           3HZ      LYS  29   3.480   4.089  -2.581
  217    HZ2  LYS  29           1HZ      LYS  29   2.835   2.740  -3.239
  218    HZ3  LYS  29           2HZ      LYS  29   2.999   2.857  -1.614
  219    H    LEU  30           H        LEU  30   1.511   7.816   3.762
  220    HA   LEU  30           HA       LEU  30   2.922  10.257   3.406
  221    HB2  LEU  30           1HB      LEU  30   1.713   8.970   5.886
  222    HB3  LEU  30           2HB      LEU  30   2.292  10.633   5.842
  223    HG   LEU  30           HG       LEU  30   0.081   9.575   4.029
  224   HD11  LEU  30          1HD1      LEU  30  -0.568   9.513   6.410
  225   HD12  LEU  30          2HD1      LEU  30  -1.468  10.741   5.505
  226   HD13  LEU  30          3HD1      LEU  30  -0.127  11.228   6.571
  227   HD21  LEU  30          3HD2      LEU  30   1.040  12.400   4.632
  228   HD22  LEU  30          1HD2      LEU  30  -0.411  11.983   3.692
  229   HD23  LEU  30          2HD2      LEU  30   1.185  11.540   3.083
  230    H    LEU  31           H        LEU  31   4.016   7.299   4.985
  231    HA   LEU  31           HA       LEU  31   6.333   8.505   6.281
  232    HB2  LEU  31           1HB      LEU  31   5.770   5.601   5.572
  233    HB3  LEU  31           2HB      LEU  31   7.001   6.178   6.684
  234    HG   LEU  31           HG       LEU  31   3.988   6.466   7.112
  235   HD11  LEU  31          1HD1      LEU  31   4.302   4.769   8.850
  236   HD12  LEU  31          2HD1      LEU  31   6.029   4.634   8.435
  237   HD13  LEU  31          3HD1      LEU  31   4.784   4.142   7.264
  238   HD21  LEU  31          3HD2      LEU  31   6.335   7.113   8.952
  239   HD22  LEU  31          1HD2      LEU  31   4.620   7.108   9.422
  240   HD23  LEU  31          2HD2      LEU  31   5.199   8.283   8.239
  241    H    HIS  32           H        HIS  32   5.694   7.401   3.023
  242    HA   HIS  32           HA       HIS  32   8.572   7.339   2.291
  243    HB2  HIS  32           1HB      HIS  32   6.070   6.949   0.608
  244    HB3  HIS  32           2HB      HIS  32   7.723   6.800   0.039
  245    HD1  HIS  32           1HD      HIS  32   9.126   4.816   1.819
  246    HD2  HIS  32           2HD      HIS  32   5.070   4.601   0.779
  247    HE1  HIS  32           1HE      HIS  32   8.489   2.373   2.041
  248    H    THR  33           H        THR  33   5.636   9.351   1.720
  249    HA   THR  33           HA       THR  33   7.085  11.234   0.019
  250    HB   THR  33           HB       THR  33   4.999  12.494  -0.025
  251    HG1  THR  33           1HG      THR  33   3.211  11.630   1.110
  252   HG21  THR  33          3HG2      THR  33   5.222  10.512  -1.520
  253   HG22  THR  33          1HG2      THR  33   3.543  10.851  -1.064
  254   HG23  THR  33          2HG2      THR  33   4.416   9.512  -0.291
  255    H    ALA  34           H        ALA  34   6.405  11.063   3.432
  256    HA   ALA  34           HA       ALA  34   6.626  12.408   5.179
  257    HB1  ALA  34           1HB      ALA  34   8.567  13.841   5.374
  258    HB2  ALA  34           2HB      ALA  34   9.005  12.333   4.552
  259    HB3  ALA  34           3HB      ALA  34   8.803  13.832   3.615
  260    H    ASP  35           H        ASP  35   4.628  13.105   3.141
  261    HA   ASP  35           HA       ASP  35   4.405  15.978   2.993
  262    HB2  ASP  35           1HB      ASP  35   3.470  14.434   1.316
  263    HB3  ASP  35           2HB      ASP  35   2.340  13.804   2.517
  264    H    GLY  36           H        GLY  36   3.052  17.403   4.055
  265    HA2  GLY  36           1HA      GLY  36   1.147  16.821   6.099
  266    HA3  GLY  36           2HA      GLY  36   2.706  17.147   6.857
  Start of MODEL   13
    1    H1   GLY   1           1H       GLY   1 -12.315 -24.102  -2.737
    2    H2   GLY   1           2H       GLY   1 -12.384 -22.517  -3.154
    3    H3   GLY   1           3H       GLY   1 -13.749 -23.421  -3.149
    4    HA2  GLY   1           1HA      GLY   1 -13.633 -23.709  -0.765
    5    HA3  GLY   1           2HA      GLY   1 -12.147 -22.742  -0.767
    6    H    SER   2           H        SER   2 -14.264 -22.005   0.828
    7    HA   SER   2           HA       SER   2 -16.096 -20.144  -0.314
    8    HB2  SER   2           1HB      SER   2 -15.038 -20.283   2.533
    9    HB3  SER   2           2HB      SER   2 -16.502 -19.436   1.993
   10    HG   SER   2           HG       SER   2 -16.966 -21.527   2.838
   11    H    SER   3           H        SER   3 -16.185 -17.894  -0.299
   12    HA   SER   3           HA       SER   3 -13.831 -16.271   0.409
   13    HB2  SER   3           1HB      SER   3 -13.460 -17.154  -1.941
   14    HB3  SER   3           2HB      SER   3 -14.899 -16.244  -2.440
   15    HG   SER   3           HG       SER   3 -12.908 -15.085  -2.735
   16    H    GLY   4           H        GLY   4 -14.273 -13.922   0.040
   17    HA2  GLY   4           1HA      GLY   4 -16.918 -12.887  -0.333
   18    HA3  GLY   4           2HA      GLY   4 -16.563 -12.993   1.394
   19    H    SER   5           H        SER   5 -17.080 -10.572   0.316
   20    HA   SER   5           HA       SER   5 -16.412  -8.447  -0.067
   21    HB2  SER   5           1HB      SER   5 -15.246  -8.921   2.137
   22    HB3  SER   5           2HB      SER   5 -13.745  -9.090   1.208
   23    HG   SER   5           HG       SER   5 -14.157  -6.940   2.034
   24    H    SER   6           H        SER   6 -14.142  -7.158  -0.850
   25    HA   SER   6           HA       SER   6 -14.028  -7.709  -3.657
   26    HB2  SER   6           1HB      SER   6 -12.203  -5.974  -1.947
   27    HB3  SER   6           2HB      SER   6 -12.303  -5.946  -3.719
   28    HG   SER   6           HG       SER   6 -13.609  -4.318  -2.742
   29    H    GLY   7           H        GLY   7 -12.577  -8.731  -4.949
   30    HA2  GLY   7           1HA      GLY   7 -10.832 -10.736  -3.795
   31    HA3  GLY   7           2HA      GLY   7 -11.111 -10.419  -5.506
   32    H    LYS   8           H        LYS   8 -10.193  -7.480  -4.636
   33    HA   LYS   8           HA       LYS   8  -7.324  -7.915  -5.297
   34    HB2  LYS   8           1HB      LYS   8  -8.993  -5.363  -5.313
   35    HB3  LYS   8           2HB      LYS   8  -7.326  -5.510  -5.867
   36    HG2  LYS   8           1HG      LYS   8  -9.732  -6.846  -7.149
   37    HG3  LYS   8           2HG      LYS   8  -8.861  -5.421  -7.715
   38    HD2  LYS   8           1HD      LYS   8  -6.751  -6.890  -7.816
   39    HD3  LYS   8           2HD      LYS   8  -7.837  -8.288  -7.580
   40    HE2  LYS   8           1HE      LYS   8  -9.184  -7.519  -9.533
   41    HE3  LYS   8           2HE      LYS   8  -8.066  -6.163  -9.742
   42    HZ1  LYS   8           3HZ      LYS   8  -7.316  -9.037  -9.979
   43    HZ2  LYS   8           1HZ      LYS   8  -6.287  -7.783 -10.177
   44    HZ3  LYS   8           2HZ      LYS   8  -7.508  -8.013 -11.234
   45    H    THR   9           H        THR   9  -5.679  -6.685  -4.304
   46    HA   THR   9           HA       THR   9  -6.139  -5.914  -1.442
   47    HB   THR   9           HB       THR   9  -3.603  -7.233  -2.474
   48    HG1  THR   9           1HG      THR   9  -5.264  -8.741  -2.564
   49   HG21  THR   9          3HG2      THR   9  -4.692  -6.711   0.330
   50   HG22  THR   9          1HG2      THR   9  -3.260  -5.963  -0.415
   51   HG23  THR   9          2HG2      THR   9  -3.258  -7.691  -0.041
   52    H    HIS  10           H        HIS  10  -5.015  -4.083  -0.721
   53    HA   HIS  10           HA       HIS  10  -4.061  -2.261  -2.842
   54    HB2  HIS  10           1HB      HIS  10  -4.498  -1.826   0.135
   55    HB3  HIS  10           2HB      HIS  10  -4.113  -0.585  -1.045
   56    HD1  HIS  10           1HD      HIS  10  -6.106   0.202  -2.683
   57    HD2  HIS  10           2HD      HIS  10  -7.037  -2.823   0.085
   58    HE1  HIS  10           1HE      HIS  10  -8.651   0.043  -2.627
   59    H    LEU  11           H        LEU  11  -1.909  -1.547  -3.047
   60    HA   LEU  11           HA       LEU  11   0.143  -2.963  -1.392
   61    HB2  LEU  11           1HB      LEU  11  -0.281  -4.336  -3.267
   62    HB3  LEU  11           2HB      LEU  11  -0.326  -2.959  -4.375
   63    HG   LEU  11           HG       LEU  11   2.145  -2.639  -4.023
   64   HD11  LEU  11          1HD1      LEU  11   1.939  -5.357  -2.654
   65   HD12  LEU  11          2HD1      LEU  11   2.373  -3.838  -1.844
   66   HD13  LEU  11          3HD1      LEU  11   3.433  -4.508  -3.085
   67   HD21  LEU  11          3HD2      LEU  11   2.780  -4.555  -5.416
   68   HD22  LEU  11          1HD2      LEU  11   1.254  -3.838  -5.956
   69   HD23  LEU  11          2HD2      LEU  11   1.237  -5.359  -5.027
   70    H    CYS  12           H        CYS  12   1.877  -1.919  -0.851
   71    HA   CYS  12           HA       CYS  12   2.455   0.843  -1.592
   72    HB2  CYS  12           1HB      CYS  12   2.871  -0.106   0.656
   73    HB3  CYS  12           2HB      CYS  12   4.011  -1.259  -0.047
   74    H    ASP  13           H        ASP  13   3.542   1.430  -3.372
   75    HA   ASP  13           HA       ASP  13   4.925  -0.542  -5.068
   76    HB2  ASP  13           1HB      ASP  13   3.422   1.197  -5.980
   77    HB3  ASP  13           2HB      ASP  13   4.523   2.451  -5.395
   78    H    MET  14           H        MET  14   5.807   1.341  -2.400
   79    HA   MET  14           HA       MET  14   8.546   1.975  -3.321
   80    HB2  MET  14           1HB      MET  14   7.087   2.690  -0.757
   81    HB3  MET  14           2HB      MET  14   8.640   3.302  -1.286
   82    HG2  MET  14           1HG      MET  14   7.235   4.993  -1.753
   83    HG3  MET  14           2HG      MET  14   7.439   4.246  -3.334
   84    HE1  MET  14           3HE      MET  14   5.445   6.107  -3.679
   85    HE2  MET  14           1HE      MET  14   3.852   6.002  -2.883
   86    HE3  MET  14           2HE      MET  14   5.313   6.363  -1.926
   87    H    CYS  15           H        CYS  15   6.966   0.070  -0.758
   88    HA   CYS  15           HA       CYS  15   9.526  -1.392  -0.340
   89    HB2  CYS  15           1HB      CYS  15   9.250  -1.523   2.005
   90    HB3  CYS  15           2HB      CYS  15   9.294   0.155   1.493
   91    H    GLY  16           H        GLY  16   6.349  -1.746  -1.304
   92    HA2  GLY  16           1HA      GLY  16   5.483  -3.697  -2.218
   93    HA3  GLY  16           2HA      GLY  16   6.777  -4.616  -1.474
   94    H    LYS  17           H        LYS  17   5.157  -2.826   0.913
   95    HA   LYS  17           HA       LYS  17   3.887  -5.166   2.094
   96    HB2  LYS  17           1HB      LYS  17   3.825  -2.211   2.847
   97    HB3  LYS  17           2HB      LYS  17   3.130  -3.509   3.823
   98    HG2  LYS  17           1HG      LYS  17   5.370  -4.580   4.007
   99    HG3  LYS  17           2HG      LYS  17   6.074  -3.262   3.053
  100    HD2  LYS  17           1HD      LYS  17   5.195  -1.645   4.803
  101    HD3  LYS  17           2HD      LYS  17   4.785  -3.038   5.809
  102    HE2  LYS  17           1HE      LYS  17   7.562  -2.349   4.727
  103    HE3  LYS  17           2HE      LYS  17   6.993  -1.969   6.355
  104    HZ1  LYS  17           3HZ      LYS  17   7.315  -4.714   5.268
  105    HZ2  LYS  17           1HZ      LYS  17   6.746  -4.364   6.762
  106    HZ3  LYS  17           2HZ      LYS  17   8.285  -4.004   6.367
  107    H    LYS  18           H        LYS  18   1.814  -5.678   2.379
  108    HA   LYS  18           HA       LYS  18  -0.175  -4.441   0.533
  109    HB2  LYS  18           1HB      LYS  18   0.305  -7.250   1.520
  110    HB3  LYS  18           2HB      LYS  18  -1.291  -6.770   0.956
  111    HG2  LYS  18           1HG      LYS  18  -0.466  -6.142  -1.222
  112    HG3  LYS  18           2HG      LYS  18   1.218  -6.326  -0.706
  113    HD2  LYS  18           1HD      LYS  18   0.860  -8.746  -0.343
  114    HD3  LYS  18           2HD      LYS  18  -0.832  -8.579  -0.869
  115    HE2  LYS  18           1HE      LYS  18  -0.056  -7.765  -3.088
  116    HE3  LYS  18           2HE      LYS  18   1.626  -7.918  -2.560
  117    HZ1  LYS  18           3HZ      LYS  18   0.921  -9.859  -3.839
  118    HZ2  LYS  18           1HZ      LYS  18  -0.293 -10.178  -2.797
  119    HZ3  LYS  18           2HZ      LYS  18   1.261 -10.316  -2.311
  120    H    PHE  19           H        PHE  19  -2.203  -3.983   1.119
  121    HA   PHE  19           HA       PHE  19  -2.901  -3.811   4.016
  122    HB2  PHE  19           1HB      PHE  19  -2.936  -1.587   1.942
  123    HB3  PHE  19           2HB      PHE  19  -3.568  -1.438   3.571
  124    HD1  PHE  19           2HD      PHE  19  -1.990  -1.649   5.558
  125    HD2  PHE  19           1HD      PHE  19  -0.563  -1.459   1.499
  126    HE1  PHE  19           2HE      PHE  19   0.283  -1.090   6.385
  127    HE2  PHE  19           1HE      PHE  19   1.708  -0.917   2.326
  128    HZ   PHE  19           HZ       PHE  19   2.141  -0.738   4.769
  129    H    LYS  20           H        LYS  20  -5.071  -3.503   4.529
  130    HA   LYS  20           HA       LYS  20  -6.931  -4.943   2.811
  131    HB2  LYS  20           1HB      LYS  20  -6.626  -5.241   5.283
  132    HB3  LYS  20           2HB      LYS  20  -7.363  -3.654   5.540
  133    HG2  LYS  20           1HG      LYS  20  -9.481  -4.458   4.572
  134    HG3  LYS  20           2HG      LYS  20  -8.725  -6.009   4.152
  135    HD2  LYS  20           1HD      LYS  20  -8.343  -6.468   6.561
  136    HD3  LYS  20           2HD      LYS  20  -9.086  -4.905   6.977
  137    HE2  LYS  20           1HE      LYS  20 -11.206  -5.634   5.902
  138    HE3  LYS  20           2HE      LYS  20 -10.467  -7.186   5.487
  139    HZ1  LYS  20           3HZ      LYS  20 -10.885  -6.186   8.257
  140    HZ2  LYS  20           1HZ      LYS  20 -10.202  -7.623   7.874
  141    HZ3  LYS  20           2HZ      LYS  20 -11.773  -7.345   7.529
  142    H    SER  21           H        SER  21  -6.335  -1.571   3.294
  143    HA   SER  21           HA       SER  21  -8.656  -0.857   1.588
  144    HB2  SER  21           1HB      SER  21  -9.520  -0.580   3.835
  145    HB3  SER  21           2HB      SER  21  -8.096   0.359   4.315
  146    HG   SER  21           HG       SER  21 -10.017   1.605   3.721
  147    H    LYS  22           H        LYS  22  -8.434   1.028   0.438
  148    HA   LYS  22           HA       LYS  22  -5.820   2.042  -0.218
  149    HB2  LYS  22           1HB      LYS  22  -7.082   3.819  -1.447
  150    HB3  LYS  22           2HB      LYS  22  -7.479   2.175  -1.906
  151    HG2  LYS  22           1HG      LYS  22  -9.572   2.256  -0.614
  152    HG3  LYS  22           2HG      LYS  22  -9.169   3.879  -0.032
  153    HD2  LYS  22           1HD      LYS  22  -9.212   4.727  -2.365
  154    HD3  LYS  22           2HD      LYS  22  -9.610   3.095  -2.948
  155    HE2  LYS  22           1HE      LYS  22 -11.687   3.117  -1.582
  156    HE3  LYS  22           2HE      LYS  22 -11.291   4.738  -0.999
  157    HZ1  LYS  22           3HZ      LYS  22 -12.848   4.826  -2.860
  158    HZ2  LYS  22           1HZ      LYS  22 -11.812   4.034  -3.841
  159    HZ3  LYS  22           2HZ      LYS  22 -11.445   5.533  -3.301
  160    H    GLY  23           H        GLY  23  -8.169   3.077   2.218
  161    HA2  GLY  23           1HA      GLY  23  -6.882   5.617   2.828
  162    HA3  GLY  23           2HA      GLY  23  -8.003   4.726   3.859
  163    H    THR  24           H        THR  24  -6.547   2.283   4.117
  164    HA   THR  24           HA       THR  24  -4.551   2.897   6.094
  165    HB   THR  24           HB       THR  24  -4.932   0.246   4.659
  166    HG1  THR  24           1HG      THR  24  -6.341  -0.170   6.456
  167   HG21  THR  24          3HG2      THR  24  -2.941   0.428   6.157
  168   HG22  THR  24          1HG2      THR  24  -4.149  -0.707   6.781
  169   HG23  THR  24          2HG2      THR  24  -4.006   0.923   7.487
  170    H    LEU  25           H        LEU  25  -4.298   1.739   2.671
  171    HA   LEU  25           HA       LEU  25  -1.452   1.751   2.565
  172    HB2  LEU  25           1HB      LEU  25  -2.766   0.600   0.909
  173    HB3  LEU  25           2HB      LEU  25  -3.638   2.070   0.496
  174    HG   LEU  25           HG       LEU  25  -1.520   3.060  -0.419
  175   HD11  LEU  25          1HD1      LEU  25   0.408   1.570  -0.823
  176   HD12  LEU  25          2HD1      LEU  25  -0.388   0.273   0.078
  177   HD13  LEU  25          3HD1      LEU  25   0.133   1.757   0.905
  178   HD21  LEU  25          3HD2      LEU  25  -1.484   1.756  -2.444
  179   HD22  LEU  25          1HD2      LEU  25  -3.149   1.858  -1.835
  180   HD23  LEU  25          2HD2      LEU  25  -2.199   0.370  -1.606
  181    H    LYS  26           H        LYS  26  -3.810   4.412   1.825
  182    HA   LYS  26           HA       LYS  26  -1.908   6.370   1.051
  183    HB2  LYS  26           1HB      LYS  26  -4.335   6.630   0.785
  184    HB3  LYS  26           2HB      LYS  26  -4.553   6.675   2.540
  185    HG2  LYS  26           1HG      LYS  26  -3.196   8.777   2.637
  186    HG3  LYS  26           2HG      LYS  26  -2.981   8.692   0.887
  187    HD2  LYS  26           1HD      LYS  26  -4.723  10.274   1.316
  188    HD3  LYS  26           2HD      LYS  26  -5.501   8.833   0.641
  189    HE2  LYS  26           1HE      LYS  26  -6.149   8.109   2.927
  190    HE3  LYS  26           2HE      LYS  26  -5.312   9.507   3.616
  191    HZ1  LYS  26           3HZ      LYS  26  -7.652   9.660   1.786
  192    HZ2  LYS  26           1HZ      LYS  26  -6.878  10.948   2.430
  193    HZ3  LYS  26           2HZ      LYS  26  -7.696   9.921   3.396
  194    H    SER  27           H        SER  27  -3.159   5.652   4.310
  195    HA   SER  27           HA       SER  27  -1.578   7.492   5.786
  196    HB2  SER  27           1HB      SER  27  -2.589   4.758   6.663
  197    HB3  SER  27           2HB      SER  27  -2.026   6.058   7.722
  198    HG   SER  27           HG       SER  27  -4.330   6.009   6.053
  199    H    HIS  28           H        HIS  28  -0.625   4.471   4.313
  200    HA   HIS  28           HA       HIS  28   1.973   4.378   5.730
  201    HB2  HIS  28           1HB      HIS  28   0.824   2.287   5.384
  202    HB3  HIS  28           2HB      HIS  28   0.672   2.585   3.654
  203    HD1  HIS  28           1HD      HIS  28   3.434   1.823   6.246
  204    HD2  HIS  28           2HD      HIS  28   2.704   1.991   2.107
  205    HE1  HIS  28           1HE      HIS  28   5.520   0.890   5.139
  206    H    LYS  29           H        LYS  29   0.775   5.038   2.386
  207    HA   LYS  29           HA       LYS  29   3.346   5.490   1.200
  208    HB2  LYS  29           1HB      LYS  29   0.528   6.356   0.478
  209    HB3  LYS  29           2HB      LYS  29   1.934   6.897  -0.447
  210    HG2  LYS  29           1HG      LYS  29   2.619   4.540  -0.819
  211    HG3  LYS  29           2HG      LYS  29   1.151   3.987   0.006
  212    HD2  LYS  29           1HD      LYS  29  -0.263   5.015  -1.693
  213    HD3  LYS  29           2HD      LYS  29   1.134   5.828  -2.427
  214    HE2  LYS  29           1HE      LYS  29   2.132   3.620  -2.984
  215    HE3  LYS  29           2HE      LYS  29   0.701   2.815  -2.329
  216    HZ1  LYS  29           3HZ      LYS  29   0.710   4.683  -4.642
  217    HZ2  LYS  29           1HZ      LYS  29  -0.632   3.990  -4.021
  218    HZ3  LYS  29           2HZ      LYS  29   0.512   3.064  -4.726
  219    H    LEU  30           H        LEU  30   1.300   7.697   3.058
  220    HA   LEU  30           HA       LEU  30   2.748  10.106   2.664
  221    HB2  LEU  30           1HB      LEU  30   1.270   8.940   5.051
  222    HB3  LEU  30           2HB      LEU  30   1.972  10.552   5.094
  223    HG   LEU  30           HG       LEU  30  -0.098   9.704   3.024
  224   HD11  LEU  30          1HD1      LEU  30  -1.001   9.634   5.321
  225   HD12  LEU  30          2HD1      LEU  30  -1.695  10.972   4.390
  226   HD13  LEU  30          3HD1      LEU  30  -0.430  11.291   5.602
  227   HD21  LEU  30          3HD2      LEU  30  -0.368  12.154   2.729
  228   HD22  LEU  30          1HD2      LEU  30   1.249  11.611   2.278
  229   HD23  LEU  30          2HD2      LEU  30   0.996  12.429   3.834
  230    H    LEU  31           H        LEU  31   3.712   7.271   4.515
  231    HA   LEU  31           HA       LEU  31   5.874   8.591   5.956
  232    HB2  LEU  31           1HB      LEU  31   5.529   5.625   5.411
  233    HB3  LEU  31           2HB      LEU  31   6.499   6.367   6.667
  234    HG   LEU  31           HG       LEU  31   3.450   6.446   6.529
  235   HD11  LEU  31          1HD1      LEU  31   5.323   4.900   8.362
  236   HD12  LEU  31          2HD1      LEU  31   4.365   4.216   7.029
  237   HD13  LEU  31          3HD1      LEU  31   3.544   4.918   8.434
  238   HD21  LEU  31          3HD2      LEU  31   5.359   7.421   8.697
  239   HD22  LEU  31          1HD2      LEU  31   3.590   7.324   8.839
  240   HD23  LEU  31          2HD2      LEU  31   4.315   8.441   7.679
  241    H    HIS  32           H        HIS  32   5.597   7.430   2.710
  242    HA   HIS  32           HA       HIS  32   8.533   7.172   2.333
  243    HB2  HIS  32           1HB      HIS  32   6.156   6.523   0.555
  244    HB3  HIS  32           2HB      HIS  32   7.829   6.403   0.041
  245    HD1  HIS  32           1HD      HIS  32   9.383   4.575   1.492
  246    HD2  HIS  32           2HD      HIS  32   5.192   4.320   1.586
  247    HE1  HIS  32           1HE      HIS  32   8.853   2.174   2.124
  248    H    THR  33           H        THR  33   6.480   9.776   2.367
  249    HA   THR  33           HA       THR  33   8.033  11.269   0.316
  250    HB   THR  33           HB       THR  33   6.013  10.298  -0.756
  251    HG1  THR  33           1HG      THR  33   5.501  12.202  -1.780
  252   HG21  THR  33          3HG2      THR  33   3.816  11.253  -0.354
  253   HG22  THR  33          1HG2      THR  33   4.441  12.259   0.968
  254   HG23  THR  33          2HG2      THR  33   4.409  10.491   1.127
  255    H    ALA  34           H        ALA  34   7.161  13.651   0.299
  256    HA   ALA  34           HA       ALA  34   7.800  14.738   2.934
  257    HB1  ALA  34           1HB      ALA  34   8.746  15.671   0.855
  258    HB2  ALA  34           2HB      ALA  34   7.112  16.102   0.297
  259    HB3  ALA  34           3HB      ALA  34   7.803  16.886   1.734
  260    H    ASP  35           H        ASP  35   6.555  16.483   3.941
  261    HA   ASP  35           HA       ASP  35   3.777  15.733   4.326
  262    HB2  ASP  35           1HB      ASP  35   3.819  17.277   6.150
  263    HB3  ASP  35           2HB      ASP  35   5.300  16.334   6.171
  264    H    GLY  36           H        GLY  36   5.187  17.841   2.086
  265    HA2  GLY  36           1HA      GLY  36   2.658  18.833   1.098
  266    HA3  GLY  36           2HA      GLY  36   3.564  20.111   1.910
  Start of MODEL   14
    1    H1   GLY   1           1H       GLY   1   3.164  -8.928 -11.282
    2    H2   GLY   1           2H       GLY   1   3.541  -7.774 -12.384
    3    H3   GLY   1           3H       GLY   1   4.025  -9.322 -12.617
    4    HA2  GLY   1           1HA      GLY   1   1.230  -8.378 -12.613
    5    HA3  GLY   1           2HA      GLY   1   2.165  -8.823 -14.052
    6    H    SER   2           H        SER   2   0.580 -10.377 -14.559
    7    HA   SER   2           HA       SER   2  -0.384 -12.388 -14.731
    8    HB2  SER   2           1HB      SER   2   1.871 -13.441 -13.003
    9    HB3  SER   2           2HB      SER   2   0.776 -14.403 -14.006
   10    HG   SER   2           HG       SER   2   2.756 -13.937 -15.079
   11    H    SER   3           H        SER   3  -1.458 -14.219 -13.694
   12    HA   SER   3           HA       SER   3  -3.073 -15.097 -12.453
   13    HB2  SER   3           1HB      SER   3  -1.631 -13.908 -10.073
   14    HB3  SER   3           2HB      SER   3  -2.843 -15.198 -10.037
   15    HG   SER   3           HG       SER   3  -0.694 -16.024 -10.040
   16    H    GLY   4           H        GLY   4  -2.756 -11.657 -11.604
   17    HA2  GLY   4           1HA      GLY   4  -4.355 -10.005 -11.585
   18    HA3  GLY   4           2HA      GLY   4  -5.557 -11.184 -12.106
   19    H    SER   5           H        SER   5  -5.084 -12.897  -9.664
   20    HA   SER   5           HA       SER   5  -7.105 -11.886  -7.971
   21    HB2  SER   5           1HB      SER   5  -6.395 -13.742  -6.453
   22    HB3  SER   5           2HB      SER   5  -6.651 -14.237  -8.136
   23    HG   SER   5           HG       SER   5  -4.697 -15.088  -7.233
   24    H    SER   6           H        SER   6  -3.642 -11.291  -7.823
   25    HA   SER   6           HA       SER   6  -3.449 -10.298  -5.142
   26    HB2  SER   6           1HB      SER   6  -1.414  -9.149  -6.021
   27    HB3  SER   6           2HB      SER   6  -1.478 -10.879  -6.396
   28    HG   SER   6           HG       SER   6  -0.877  -9.617  -8.227
   29    H    GLY   7           H        GLY   7  -4.862  -8.873  -8.019
   30    HA2  GLY   7           1HA      GLY   7  -4.770  -6.103  -7.312
   31    HA3  GLY   7           2HA      GLY   7  -5.916  -6.882  -8.411
   32    H    LYS   8           H        LYS   8  -6.586  -8.644  -5.835
   33    HA   LYS   8           HA       LYS   8  -8.803  -7.023  -4.819
   34    HB2  LYS   8           1HB      LYS   8  -7.707  -9.740  -3.972
   35    HB3  LYS   8           2HB      LYS   8  -9.193  -9.003  -3.357
   36    HG2  LYS   8           1HG      LYS   8 -10.160  -8.993  -5.616
   37    HG3  LYS   8           2HG      LYS   8  -8.694  -9.765  -6.258
   38    HD2  LYS   8           1HD      LYS   8  -9.040 -11.713  -4.772
   39    HD3  LYS   8           2HD      LYS   8 -10.492 -10.942  -4.085
   40    HE2  LYS   8           1HE      LYS   8 -11.499 -10.847  -6.339
   41    HE3  LYS   8           2HE      LYS   8 -10.070 -11.644  -7.013
   42    HZ1  LYS   8           3HZ      LYS   8 -11.912 -12.848  -5.007
   43    HZ2  LYS   8           1HZ      LYS   8 -10.590 -13.589  -5.619
   44    HZ3  LYS   8           2HZ      LYS   8 -11.858 -13.247  -6.587
   45    H    THR   9           H        THR   9  -5.503  -7.160  -3.988
   46    HA   THR   9           HA       THR   9  -6.001  -6.082  -1.238
   47    HB   THR   9           HB       THR   9  -3.391  -7.295  -2.207
   48    HG1  THR   9           1HG      THR   9  -4.077  -9.195  -1.222
   49   HG21  THR   9          3HG2      THR   9  -4.619  -6.857   0.554
   50   HG22  THR   9          1HG2      THR   9  -3.222  -6.000  -0.138
   51   HG23  THR   9          2HG2      THR   9  -3.105  -7.726   0.233
   52    H    HIS  10           H        HIS  10  -5.001  -4.159  -0.609
   53    HA   HIS  10           HA       HIS  10  -4.050  -2.390  -2.775
   54    HB2  HIS  10           1HB      HIS  10  -4.625  -1.952   0.176
   55    HB3  HIS  10           2HB      HIS  10  -3.962  -0.720  -0.880
   56    HD1  HIS  10           1HD      HIS  10  -5.601   0.296  -2.770
   57    HD2  HIS  10           2HD      HIS  10  -7.244  -2.623  -0.222
   58    HE1  HIS  10           1HE      HIS  10  -8.120   0.394  -3.111
   59    H    LEU  11           H        LEU  11  -1.926  -1.545  -2.921
   60    HA   LEU  11           HA       LEU  11   0.177  -2.963  -1.344
   61    HB2  LEU  11           1HB      LEU  11  -0.260  -4.371  -3.171
   62    HB3  LEU  11           2HB      LEU  11  -0.404  -3.018  -4.305
   63    HG   LEU  11           HG       LEU  11   2.071  -2.631  -4.106
   64   HD11  LEU  11          1HD1      LEU  11   1.968  -5.286  -2.612
   65   HD12  LEU  11          2HD1      LEU  11   2.468  -3.733  -1.912
   66   HD13  LEU  11          3HD1      LEU  11   3.440  -4.474  -3.188
   67   HD21  LEU  11          3HD2      LEU  11   1.175  -5.415  -4.946
   68   HD22  LEU  11          1HD2      LEU  11   2.670  -4.592  -5.464
   69   HD23  LEU  11          2HD2      LEU  11   1.094  -3.940  -5.940
   70    H    CYS  12           H        CYS  12   1.902  -1.874  -0.853
   71    HA   CYS  12           HA       CYS  12   2.427   0.877  -1.684
   72    HB2  CYS  12           1HB      CYS  12   2.902   0.031   0.583
   73    HB3  CYS  12           2HB      CYS  12   4.011  -1.166  -0.089
   74    H    ASP  13           H        ASP  13   3.431   1.392  -3.540
   75    HA   ASP  13           HA       ASP  13   4.814  -0.611  -5.179
   76    HB2  ASP  13           1HB      ASP  13   3.260   1.118  -6.079
   77    HB3  ASP  13           2HB      ASP  13   4.414   2.369  -5.610
   78    H    MET  14           H        MET  14   5.808   1.118  -2.538
   79    HA   MET  14           HA       MET  14   8.540   1.791  -3.561
   80    HB2  MET  14           1HB      MET  14   6.862   2.822  -1.259
   81    HB3  MET  14           2HB      MET  14   8.534   3.317  -1.568
   82    HG2  MET  14           1HG      MET  14   7.929   4.088  -3.800
   83    HG3  MET  14           2HG      MET  14   6.251   3.620  -3.572
   84    HE1  MET  14           3HE      MET  14   4.725   6.230  -1.249
   85    HE2  MET  14           1HE      MET  14   4.419   5.066  -2.557
   86    HE3  MET  14           2HE      MET  14   5.127   4.511  -1.025
   87    H    CYS  15           H        CYS  15   6.907   0.071  -0.937
   88    HA   CYS  15           HA       CYS  15   9.444  -1.396  -0.465
   89    HB2  CYS  15           1HB      CYS  15   9.246  -1.419   1.885
   90    HB3  CYS  15           2HB      CYS  15   9.300   0.235   1.307
   91    H    GLY  16           H        GLY  16   6.305  -1.732  -1.424
   92    HA2  GLY  16           1HA      GLY  16   5.419  -3.712  -2.265
   93    HA3  GLY  16           2HA      GLY  16   6.696  -4.618  -1.474
   94    H    LYS  17           H        LYS  17   5.211  -2.795   0.896
   95    HA   LYS  17           HA       LYS  17   3.939  -5.040   2.173
   96    HB2  LYS  17           1HB      LYS  17   3.889  -2.054   2.776
   97    HB3  LYS  17           2HB      LYS  17   3.195  -3.291   3.834
   98    HG2  LYS  17           1HG      LYS  17   5.406  -4.375   4.073
   99    HG3  LYS  17           2HG      LYS  17   6.112  -3.193   2.958
  100    HD2  LYS  17           1HD      LYS  17   5.456  -1.365   4.556
  101    HD3  LYS  17           2HD      LYS  17   4.897  -2.597   5.687
  102    HE2  LYS  17           1HE      LYS  17   7.137  -1.801   6.275
  103    HE3  LYS  17           2HE      LYS  17   7.169  -3.518   5.871
  104    HZ1  LYS  17           3HZ      LYS  17   8.147  -3.013   3.771
  105    HZ2  LYS  17           1HZ      LYS  17   8.988  -2.117   4.848
  106    HZ3  LYS  17           2HZ      LYS  17   7.851  -1.422   3.875
  107    H    LYS  18           H        LYS  18   1.827  -5.465   2.615
  108    HA   LYS  18           HA       LYS  18  -0.140  -4.447   0.610
  109    HB2  LYS  18           1HB      LYS  18   0.446  -7.197   1.708
  110    HB3  LYS  18           2HB      LYS  18  -1.107  -6.831   0.959
  111    HG2  LYS  18           1HG      LYS  18  -0.190  -6.347  -1.146
  112    HG3  LYS  18           2HG      LYS  18   1.419  -6.080  -0.506
  113    HD2  LYS  18           1HD      LYS  18   1.428  -8.606   0.130
  114    HD3  LYS  18           2HD      LYS  18  -0.028  -8.722  -0.870
  115    HE2  LYS  18           1HE      LYS  18   1.713  -9.280  -2.345
  116    HE3  LYS  18           2HE      LYS  18   1.332  -7.599  -2.734
  117    HZ1  LYS  18           3HZ      LYS  18   3.608  -8.533  -1.048
  118    HZ2  LYS  18           1HZ      LYS  18   3.293  -6.956  -1.322
  119    HZ3  LYS  18           2HZ      LYS  18   3.736  -7.935  -2.553
  120    H    PHE  19           H        PHE  19  -2.181  -4.034   1.139
  121    HA   PHE  19           HA       PHE  19  -2.916  -3.779   4.023
  122    HB2  PHE  19           1HB      PHE  19  -2.966  -1.642   1.858
  123    HB3  PHE  19           2HB      PHE  19  -3.588  -1.430   3.482
  124    HD1  PHE  19           2HD      PHE  19  -1.977  -1.634   5.471
  125    HD2  PHE  19           1HD      PHE  19  -0.616  -1.427   1.388
  126    HE1  PHE  19           2HE      PHE  19   0.297  -1.026   6.262
  127    HE2  PHE  19           1HE      PHE  19   1.656  -0.825   2.181
  128    HZ   PHE  19           HZ       PHE  19   2.121  -0.638   4.617
  129    H    LYS  20           H        LYS  20  -5.106  -3.505   4.511
  130    HA   LYS  20           HA       LYS  20  -6.903  -5.042   2.809
  131    HB2  LYS  20           1HB      LYS  20  -6.667  -5.232   5.302
  132    HB3  LYS  20           2HB      LYS  20  -7.439  -3.648   5.468
  133    HG2  LYS  20           1HG      LYS  20  -9.500  -4.527   4.435
  134    HG3  LYS  20           2HG      LYS  20  -8.706  -6.089   4.134
  135    HD2  LYS  20           1HD      LYS  20  -8.390  -6.371   6.593
  136    HD3  LYS  20           2HD      LYS  20  -9.249  -4.855   6.881
  137    HE2  LYS  20           1HE      LYS  20 -10.413  -7.307   5.473
  138    HE3  LYS  20           2HE      LYS  20 -10.627  -6.943   7.186
  139    HZ1  LYS  20           3HZ      LYS  20 -11.753  -4.874   6.547
  140    HZ2  LYS  20           1HZ      LYS  20 -12.521  -6.166   5.914
  141    HZ3  LYS  20           2HZ      LYS  20 -11.592  -5.231   4.956
  142    H    SER  21           H        SER  21  -6.442  -1.624   3.322
  143    HA   SER  21           HA       SER  21  -8.720  -0.984   1.514
  144    HB2  SER  21           1HB      SER  21  -9.614  -0.798   3.778
  145    HB3  SER  21           2HB      SER  21  -8.261   0.240   4.262
  146    HG   SER  21           HG       SER  21 -10.251   1.357   3.661
  147    H    LYS  22           H        LYS  22  -8.581   0.982   0.450
  148    HA   LYS  22           HA       LYS  22  -5.994   2.005  -0.242
  149    HB2  LYS  22           1HB      LYS  22  -8.353   2.109  -1.481
  150    HB3  LYS  22           2HB      LYS  22  -8.525   3.623  -0.590
  151    HG2  LYS  22           1HG      LYS  22  -6.429   4.464  -1.604
  152    HG3  LYS  22           2HG      LYS  22  -6.165   2.908  -2.394
  153    HD2  LYS  22           1HD      LYS  22  -7.017   4.501  -4.002
  154    HD3  LYS  22           2HD      LYS  22  -8.208   3.217  -3.748
  155    HE2  LYS  22           1HE      LYS  22  -9.502   4.700  -2.241
  156    HE3  LYS  22           2HE      LYS  22  -8.282   5.970  -2.423
  157    HZ1  LYS  22           3HZ      LYS  22  -9.953   4.885  -4.630
  158    HZ2  LYS  22           1HZ      LYS  22  -8.831   6.060  -4.797
  159    HZ3  LYS  22           2HZ      LYS  22 -10.170   6.331  -3.907
  160    H    GLY  23           H        GLY  23  -8.364   3.008   2.187
  161    HA2  GLY  23           1HA      GLY  23  -7.186   5.525   2.927
  162    HA3  GLY  23           2HA      GLY  23  -8.235   4.517   3.932
  163    H    THR  24           H        THR  24  -6.583   2.168   4.025
  164    HA   THR  24           HA       THR  24  -4.636   2.843   6.052
  165    HB   THR  24           HB       THR  24  -4.808   0.226   4.523
  166    HG1  THR  24           1HG      THR  24  -6.333   1.012   6.780
  167   HG21  THR  24          3HG2      THR  24  -2.922   0.463   6.111
  168   HG22  THR  24          1HG2      THR  24  -4.095  -0.750   6.659
  169   HG23  THR  24          2HG2      THR  24  -4.062   0.865   7.411
  170    H    LEU  25           H        LEU  25  -4.339   1.741   2.623
  171    HA   LEU  25           HA       LEU  25  -1.502   1.818   2.498
  172    HB2  LEU  25           1HB      LEU  25  -2.808   0.644   0.858
  173    HB3  LEU  25           2HB      LEU  25  -3.714   2.096   0.443
  174    HG   LEU  25           HG       LEU  25  -1.653   3.118  -0.521
  175   HD11  LEU  25          1HD1      LEU  25   0.072   1.941   0.799
  176   HD12  LEU  25          2HD1      LEU  25   0.329   1.678  -0.924
  177   HD13  LEU  25          3HD1      LEU  25  -0.406   0.398   0.061
  178   HD21  LEU  25          3HD2      LEU  25  -1.598   1.777  -2.522
  179   HD22  LEU  25          1HD2      LEU  25  -3.254   1.810  -1.885
  180   HD23  LEU  25          2HD2      LEU  25  -2.226   0.375  -1.649
  181    H    LYS  26           H        LYS  26  -3.906   4.401   1.761
  182    HA   LYS  26           HA       LYS  26  -2.213   6.449   0.869
  183    HB2  LYS  26           1HB      LYS  26  -4.641   6.671   0.881
  184    HB3  LYS  26           2HB      LYS  26  -4.700   6.460   2.622
  185    HG2  LYS  26           1HG      LYS  26  -3.413   8.672   2.853
  186    HG3  LYS  26           2HG      LYS  26  -3.606   8.864   1.112
  187    HD2  LYS  26           1HD      LYS  26  -5.304  10.136   2.311
  188    HD3  LYS  26           2HD      LYS  26  -6.061   8.845   1.385
  189    HE2  LYS  26           1HE      LYS  26  -7.131   9.070   3.551
  190    HE3  LYS  26           2HE      LYS  26  -6.356   7.494   3.430
  191    HZ1  LYS  26           3HZ      LYS  26  -4.599   8.256   4.890
  192    HZ2  LYS  26           1HZ      LYS  26  -6.002   8.655   5.584
  193    HZ3  LYS  26           2HZ      LYS  26  -5.133   9.812   4.837
  194    H    SER  27           H        SER  27  -3.111   5.781   4.277
  195    HA   SER  27           HA       SER  27  -1.366   7.763   5.376
  196    HB2  SER  27           1HB      SER  27  -2.657   5.341   6.669
  197    HB3  SER  27           2HB      SER  27  -1.905   6.705   7.530
  198    HG   SER  27           HG       SER  27  -4.176   6.975   7.288
  199    H    HIS  28           H        HIS  28  -0.671   4.519   4.297
  200    HA   HIS  28           HA       HIS  28   1.943   4.400   5.655
  201    HB2  HIS  28           1HB      HIS  28   0.797   2.316   5.261
  202    HB3  HIS  28           2HB      HIS  28   0.627   2.660   3.541
  203    HD1  HIS  28           1HD      HIS  28   3.415   1.832   6.083
  204    HD2  HIS  28           2HD      HIS  28   2.682   2.174   1.957
  205    HE1  HIS  28           1HE      HIS  28   5.529   1.021   4.936
  206    H    LYS  29           H        LYS  29   0.742   5.111   2.326
  207    HA   LYS  29           HA       LYS  29   3.284   5.484   1.089
  208    HB2  LYS  29           1HB      LYS  29   0.506   6.565   0.495
  209    HB3  LYS  29           2HB      LYS  29   1.911   7.009  -0.480
  210    HG2  LYS  29           1HG      LYS  29   2.375   4.619  -0.944
  211    HG3  LYS  29           2HG      LYS  29   0.927   4.159  -0.035
  212    HD2  LYS  29           1HD      LYS  29  -0.510   5.357  -1.608
  213    HD3  LYS  29           2HD      LYS  29   0.905   6.043  -2.428
  214    HE2  LYS  29           1HE      LYS  29   1.638   3.754  -3.078
  215    HE3  LYS  29           2HE      LYS  29   0.175   3.092  -2.342
  216    HZ1  LYS  29           3HZ      LYS  29  -0.119   3.421  -4.729
  217    HZ2  LYS  29           1HZ      LYS  29   0.230   5.009  -4.616
  218    HZ3  LYS  29           2HZ      LYS  29  -1.133   4.423  -3.933
  219    H    LEU  30           H        LEU  30   1.390   7.787   3.007
  220    HA   LEU  30           HA       LEU  30   2.949  10.120   2.596
  221    HB2  LEU  30           1HB      LEU  30   1.495   9.084   5.060
  222    HB3  LEU  30           2HB      LEU  30   2.205  10.690   4.967
  223    HG   LEU  30           HG       LEU  30  -0.001   9.689   3.119
  224   HD11  LEU  30          1HD1      LEU  30  -0.704   9.954   5.484
  225   HD12  LEU  30          2HD1      LEU  30  -1.458  11.156   4.422
  226   HD13  LEU  30          3HD1      LEU  30  -0.096  11.621   5.469
  227   HD21  LEU  30          3HD2      LEU  30   1.309  11.434   2.015
  228   HD22  LEU  30          1HD2      LEU  30   1.235  12.451   3.474
  229   HD23  LEU  30          2HD2      LEU  30  -0.237  12.098   2.542
  230    H    LEU  31           H        LEU  31   3.777   7.268   4.519
  231    HA   LEU  31           HA       LEU  31   5.903   8.514   6.034
  232    HB2  LEU  31           1HB      LEU  31   5.527   5.569   5.387
  233    HB3  LEU  31           2HB      LEU  31   6.481   6.248   6.694
  234    HG   LEU  31           HG       LEU  31   3.442   6.414   6.471
  235   HD11  LEU  31          1HD1      LEU  31   4.286   4.145   6.934
  236   HD12  LEU  31          2HD1      LEU  31   3.439   4.829   8.333
  237   HD13  LEU  31          3HD1      LEU  31   5.218   4.769   8.315
  238   HD21  LEU  31          3HD2      LEU  31   5.311   7.279   8.720
  239   HD22  LEU  31          1HD2      LEU  31   3.537   7.217   8.812
  240   HD23  LEU  31          2HD2      LEU  31   4.318   8.351   7.705
  241    H    HIS  32           H        HIS  32   5.786   7.436   2.752
  242    HA   HIS  32           HA       HIS  32   8.730   7.181   2.504
  243    HB2  HIS  32           1HB      HIS  32   6.441   6.786   0.548
  244    HB3  HIS  32           2HB      HIS  32   8.139   6.639   0.123
  245    HD1  HIS  32           1HD      HIS  32   9.528   4.609   1.397
  246    HD2  HIS  32           2HD      HIS  32   5.332   4.572   1.472
  247    HE1  HIS  32           1HE      HIS  32   8.874   2.218   1.913
  248    H    THR  33           H        THR  33   6.730   9.814   2.681
  249    HA   THR  33           HA       THR  33   8.401  11.490   0.884
  250    HB   THR  33           HB       THR  33   6.500  10.634  -0.435
  251    HG1  THR  33           1HG      THR  33   5.991  12.600  -1.285
  252   HG21  THR  33          3HG2      THR  33   4.741  10.483   1.247
  253   HG22  THR  33          1HG2      THR  33   4.239  11.528  -0.084
  254   HG23  THR  33          2HG2      THR  33   4.741  12.248   1.461
  255    H    ALA  34           H        ALA  34   7.046  13.835   1.072
  256    HA   ALA  34           HA       ALA  34   7.063  15.736   2.298
  257    HB1  ALA  34           1HB      ALA  34   5.408  14.023   4.182
  258    HB2  ALA  34           2HB      ALA  34   5.352  15.792   4.028
  259    HB3  ALA  34           3HB      ALA  34   4.831  14.772   2.676
  260    H    ASP  35           H        ASP  35   9.447  14.247   2.772
  261    HA   ASP  35           HA       ASP  35  11.265  14.056   4.080
  262    HB2  ASP  35           1HB      ASP  35  10.326  16.680   5.276
  263    HB3  ASP  35           2HB      ASP  35  11.953  16.016   5.378
  264    H    GLY  36           H        GLY  36   8.902  12.677   5.077
  265    HA2  GLY  36           1HA      GLY  36   8.756  12.612   7.927
  266    HA3  GLY  36           2HA      GLY  36   8.295  11.313   6.828
  Start of MODEL   15
    1    H1   GLY   1           1H       GLY   1   7.158   4.144  -9.147
    2    H2   GLY   1           2H       GLY   1   7.126   4.793  -7.642
    3    H3   GLY   1           3H       GLY   1   6.194   3.495  -7.979
    4    HA2  GLY   1           1HA      GLY   1   9.134   3.572  -7.819
    5    HA3  GLY   1           2HA      GLY   1   8.037   2.725  -6.716
    6    H    SER   2           H        SER   2   8.003   0.568  -7.070
    7    HA   SER   2           HA       SER   2   8.044  -0.566  -9.805
    8    HB2  SER   2           1HB      SER   2   9.961  -2.031  -9.279
    9    HB3  SER   2           2HB      SER   2  10.406  -0.320  -9.321
   10    HG   SER   2           HG       SER   2  11.310  -1.406  -7.510
   11    H    SER   3           H        SER   3   7.734  -2.891  -9.846
   12    HA   SER   3           HA       SER   3   6.449  -4.698  -9.450
   13    HB2  SER   3           1HB      SER   3   7.466  -4.399  -6.612
   14    HB3  SER   3           2HB      SER   3   6.839  -5.881  -7.350
   15    HG   SER   3           HG       SER   3   8.564  -5.869  -8.807
   16    H    GLY   4           H        GLY   4   4.991  -2.120  -9.055
   17    HA2  GLY   4           1HA      GLY   4   2.933  -2.534  -7.054
   18    HA3  GLY   4           2HA      GLY   4   2.952  -1.315  -8.327
   19    H    SER   5           H        SER   5   2.629  -4.864  -8.002
   20    HA   SER   5           HA       SER   5   1.177  -5.285 -10.433
   21    HB2  SER   5           1HB      SER   5   1.371  -7.019  -7.940
   22    HB3  SER   5           2HB      SER   5   0.685  -7.532  -9.491
   23    HG   SER   5           HG       SER   5   3.377  -6.775  -8.938
   24    H    SER   6           H        SER   6  -0.973  -5.752 -10.867
   25    HA   SER   6           HA       SER   6  -2.951  -4.319  -9.283
   26    HB2  SER   6           1HB      SER   6  -2.909  -4.398 -11.782
   27    HB3  SER   6           2HB      SER   6  -3.393  -6.105 -11.697
   28    HG   SER   6           HG       SER   6  -5.183  -4.648 -11.935
   29    H    GLY   7           H        GLY   7  -4.835  -5.149  -8.329
   30    HA2  GLY   7           1HA      GLY   7  -5.728  -7.768  -8.063
   31    HA3  GLY   7           2HA      GLY   7  -4.535  -7.572  -6.776
   32    H    LYS   8           H        LYS   8  -6.899  -8.151  -5.860
   33    HA   LYS   8           HA       LYS   8  -8.603  -5.828  -5.297
   34    HB2  LYS   8           1HB      LYS   8  -8.582  -8.659  -4.162
   35    HB3  LYS   8           2HB      LYS   8  -9.790  -7.422  -3.784
   36    HG2  LYS   8           1HG      LYS   8 -10.410  -7.278  -6.169
   37    HG3  LYS   8           2HG      LYS   8  -9.246  -8.567  -6.545
   38    HD2  LYS   8           1HD      LYS   8 -10.452 -10.113  -5.022
   39    HD3  LYS   8           2HD      LYS   8 -11.619  -8.822  -4.635
   40    HE2  LYS   8           1HE      LYS   8 -12.208  -8.643  -7.025
   41    HE3  LYS   8           2HE      LYS   8 -11.052  -9.929  -7.411
   42    HZ1  LYS   8           3HZ      LYS   8 -13.321 -10.803  -7.220
   43    HZ2  LYS   8           1HZ      LYS   8 -13.459 -10.259  -5.688
   44    HZ3  LYS   8           2HZ      LYS   8 -12.393 -11.448  -6.043
   45    H    THR   9           H        THR   9  -5.947  -7.417  -3.627
   46    HA   THR   9           HA       THR   9  -6.174  -5.871  -1.160
   47    HB   THR   9           HB       THR   9  -3.673  -7.227  -2.221
   48    HG1  THR   9           1HG      THR   9  -5.799  -8.410  -0.755
   49   HG21  THR   9          3HG2      THR   9  -3.317  -5.957  -0.168
   50   HG22  THR   9          1HG2      THR   9  -3.289  -7.687   0.200
   51   HG23  THR   9          2HG2      THR   9  -4.726  -6.720   0.599
   52    H    HIS  10           H        HIS  10  -5.019  -3.996  -0.586
   53    HA   HIS  10           HA       HIS  10  -4.017  -2.341  -2.821
   54    HB2  HIS  10           1HB      HIS  10  -4.499  -1.776   0.127
   55    HB3  HIS  10           2HB      HIS  10  -3.819  -0.618  -1.002
   56    HD1  HIS  10           1HD      HIS  10  -5.481   0.476  -2.793
   57    HD2  HIS  10           2HD      HIS  10  -7.151  -2.432  -0.252
   58    HE1  HIS  10           1HE      HIS  10  -8.003   0.631  -3.095
   59    H    LEU  11           H        LEU  11  -1.866  -1.645  -3.051
   60    HA   LEU  11           HA       LEU  11   0.190  -3.067  -1.420
   61    HB2  LEU  11           1HB      LEU  11  -0.284  -4.503  -3.236
   62    HB3  LEU  11           2HB      LEU  11  -0.326  -3.167  -4.395
   63    HG   LEU  11           HG       LEU  11   2.145  -2.872  -4.116
   64   HD11  LEU  11          1HD1      LEU  11   2.412  -3.930  -1.863
   65   HD12  LEU  11          2HD1      LEU  11   3.455  -4.664  -3.082
   66   HD13  LEU  11          3HD1      LEU  11   1.971  -5.495  -2.572
   67   HD21  LEU  11          3HD2      LEU  11   1.189  -4.213  -5.939
   68   HD22  LEU  11          1HD2      LEU  11   1.223  -5.660  -4.910
   69   HD23  LEU  11          2HD2      LEU  11   2.743  -4.871  -5.396
   70    H    CYS  12           H        CYS  12   1.940  -2.023  -0.956
   71    HA   CYS  12           HA       CYS  12   2.523   0.694  -1.850
   72    HB2  CYS  12           1HB      CYS  12   2.895  -0.107   0.462
   73    HB3  CYS  12           2HB      CYS  12   4.028  -1.311  -0.143
   74    H    ASP  13           H        ASP  13   3.412   1.030  -3.805
   75    HA   ASP  13           HA       ASP  13   5.148  -0.926  -5.138
   76    HB2  ASP  13           1HB      ASP  13   5.020   0.557  -7.026
   77    HB3  ASP  13           2HB      ASP  13   3.405   0.294  -6.383
   78    H    MET  14           H        MET  14   5.851   0.786  -2.577
   79    HA   MET  14           HA       MET  14   8.478   1.870  -3.557
   80    HB2  MET  14           1HB      MET  14   6.858   2.699  -1.133
   81    HB3  MET  14           2HB      MET  14   8.366   3.401  -1.684
   82    HG2  MET  14           1HG      MET  14   7.249   4.113  -3.783
   83    HG3  MET  14           2HG      MET  14   5.725   3.440  -3.185
   84    HE1  MET  14           3HE      MET  14   5.791   6.363  -4.189
   85    HE2  MET  14           1HE      MET  14   4.381   5.556  -3.462
   86    HE3  MET  14           2HE      MET  14   4.869   7.171  -2.894
   87    H    CYS  15           H        CYS  15   6.937   0.013  -0.937
   88    HA   CYS  15           HA       CYS  15   9.557  -1.280  -0.443
   89    HB2  CYS  15           1HB      CYS  15   9.353  -1.285   1.900
   90    HB3  CYS  15           2HB      CYS  15   9.309   0.361   1.292
   91    H    GLY  16           H        GLY  16   6.426  -1.812  -1.396
   92    HA2  GLY  16           1HA      GLY  16   5.689  -3.861  -2.232
   93    HA3  GLY  16           2HA      GLY  16   6.959  -4.689  -1.353
   94    H    LYS  17           H        LYS  17   5.153  -2.778   0.785
   95    HA   LYS  17           HA       LYS  17   3.954  -5.110   2.081
   96    HB2  LYS  17           1HB      LYS  17   3.917  -2.132   2.729
   97    HB3  LYS  17           2HB      LYS  17   3.228  -3.382   3.769
   98    HG2  LYS  17           1HG      LYS  17   5.448  -4.458   3.999
   99    HG3  LYS  17           2HG      LYS  17   6.144  -3.263   2.889
  100    HD2  LYS  17           1HD      LYS  17   5.485  -1.447   4.500
  101    HD3  LYS  17           2HD      LYS  17   4.946  -2.694   5.628
  102    HE2  LYS  17           1HE      LYS  17   7.186  -1.892   6.204
  103    HE3  LYS  17           2HE      LYS  17   7.226  -3.604   5.777
  104    HZ1  LYS  17           3HZ      LYS  17   7.881  -1.466   3.812
  105    HZ2  LYS  17           1HZ      LYS  17   8.171  -3.056   3.665
  106    HZ3  LYS  17           2HZ      LYS  17   9.027  -2.186   4.755
  107    H    LYS  18           H        LYS  18   1.888  -5.620   2.434
  108    HA   LYS  18           HA       LYS  18  -0.134  -4.456   0.579
  109    HB2  LYS  18           1HB      LYS  18   0.358  -7.222   1.674
  110    HB3  LYS  18           2HB      LYS  18  -1.250  -6.760   1.127
  111    HG2  LYS  18           1HG      LYS  18  -0.476  -6.226  -1.095
  112    HG3  LYS  18           2HG      LYS  18   1.219  -6.402  -0.612
  113    HD2  LYS  18           1HD      LYS  18   0.858  -8.798  -0.139
  114    HD3  LYS  18           2HD      LYS  18  -0.849  -8.644  -0.616
  115    HE2  LYS  18           1HE      LYS  18  -0.141  -7.933  -2.894
  116    HE3  LYS  18           2HE      LYS  18   1.555  -8.083  -2.416
  117    HZ1  LYS  18           3HZ      LYS  18   1.173 -10.464  -2.046
  118    HZ2  LYS  18           1HZ      LYS  18   0.786 -10.072  -3.582
  119    HZ3  LYS  18           2HZ      LYS  18  -0.396 -10.328  -2.487
  120    H    PHE  19           H        PHE  19  -2.124  -3.939   1.150
  121    HA   PHE  19           HA       PHE  19  -2.820  -3.643   4.036
  122    HB2  PHE  19           1HB      PHE  19  -2.805  -1.498   1.879
  123    HB3  PHE  19           2HB      PHE  19  -3.409  -1.274   3.509
  124    HD1  PHE  19           2HD      PHE  19  -1.784  -1.642   5.491
  125    HD2  PHE  19           1HD      PHE  19  -0.466  -1.286   1.403
  126    HE1  PHE  19           2HE      PHE  19   0.519  -1.159   6.277
  127    HE2  PHE  19           1HE      PHE  19   1.835  -0.829   2.192
  128    HZ   PHE  19           HZ       PHE  19   2.338  -0.767   4.627
  129    H    LYS  20           H        LYS  20  -5.000  -3.231   4.524
  130    HA   LYS  20           HA       LYS  20  -6.830  -4.763   2.857
  131    HB2  LYS  20           1HB      LYS  20  -8.297  -4.713   4.751
  132    HB3  LYS  20           2HB      LYS  20  -6.657  -5.067   5.290
  133    HG2  LYS  20           1HG      LYS  20  -6.404  -2.640   5.960
  134    HG3  LYS  20           2HG      LYS  20  -8.095  -2.376   5.533
  135    HD2  LYS  20           1HD      LYS  20  -7.079  -4.317   7.655
  136    HD3  LYS  20           2HD      LYS  20  -7.737  -2.705   7.961
  137    HE2  LYS  20           1HE      LYS  20  -9.908  -3.396   6.953
  138    HE3  LYS  20           2HE      LYS  20  -9.261  -5.021   6.685
  139    HZ1  LYS  20           3HZ      LYS  20  -9.585  -3.738   9.347
  140    HZ2  LYS  20           1HZ      LYS  20  -8.984  -5.238   9.096
  141    HZ3  LYS  20           2HZ      LYS  20 -10.542  -4.912   8.741
  142    H    SER  21           H        SER  21  -6.292  -1.381   3.107
  143    HA   SER  21           HA       SER  21  -8.630  -0.787   1.398
  144    HB2  SER  21           1HB      SER  21  -9.525  -0.587   3.678
  145    HB3  SER  21           2HB      SER  21  -8.208   0.510   4.121
  146    HG   SER  21           HG       SER  21 -10.228   1.547   3.506
  147    H    LYS  22           H        LYS  22  -8.530   1.288   0.412
  148    HA   LYS  22           HA       LYS  22  -5.924   2.218  -0.359
  149    HB2  LYS  22           1HB      LYS  22  -8.278   2.430  -1.542
  150    HB3  LYS  22           2HB      LYS  22  -8.419   3.919  -0.595
  151    HG2  LYS  22           1HG      LYS  22  -6.189   4.638  -1.571
  152    HG3  LYS  22           2HG      LYS  22  -6.230   3.213  -2.607
  153    HD2  LYS  22           1HD      LYS  22  -8.296   5.461  -2.580
  154    HD3  LYS  22           2HD      LYS  22  -6.986   5.276  -3.754
  155    HE2  LYS  22           1HE      LYS  22  -7.938   3.089  -4.474
  156    HE3  LYS  22           2HE      LYS  22  -9.271   3.296  -3.328
  157    HZ1  LYS  22           3HZ      LYS  22  -9.923   5.302  -4.550
  158    HZ2  LYS  22           1HZ      LYS  22  -9.905   4.018  -5.555
  159    HZ3  LYS  22           2HZ      LYS  22  -8.695   5.109  -5.611
  160    H    GLY  23           H        GLY  23  -8.187   3.312   2.149
  161    HA2  GLY  23           1HA      GLY  23  -6.797   5.722   2.919
  162    HA3  GLY  23           2HA      GLY  23  -7.915   4.784   3.917
  163    H    THR  24           H        THR  24  -6.501   2.306   3.988
  164    HA   THR  24           HA       THR  24  -4.494   2.751   5.998
  165    HB   THR  24           HB       THR  24  -4.842   0.218   4.367
  166    HG1  THR  24           1HG      THR  24  -6.326   1.029   6.639
  167   HG21  THR  24          3HG2      THR  24  -4.102   0.670   7.289
  168   HG22  THR  24          1HG2      THR  24  -2.957   0.289   5.990
  169   HG23  THR  24          2HG2      THR  24  -4.198  -0.895   6.445
  170    H    LEU  25           H        LEU  25  -4.255   1.775   2.521
  171    HA   LEU  25           HA       LEU  25  -1.401   1.759   2.406
  172    HB2  LEU  25           1HB      LEU  25  -2.723   0.671   0.722
  173    HB3  LEU  25           2HB      LEU  25  -3.605   2.153   0.365
  174    HG   LEU  25           HG       LEU  25  -1.504   3.173  -0.530
  175   HD11  LEU  25          1HD1      LEU  25   0.419   1.716  -1.058
  176   HD12  LEU  25          2HD1      LEU  25  -0.354   0.368  -0.200
  177   HD13  LEU  25          3HD1      LEU  25   0.180   1.809   0.687
  178   HD21  LEU  25          3HD2      LEU  25  -3.183   2.013  -1.952
  179   HD22  LEU  25          1HD2      LEU  25  -2.155   0.558  -1.889
  180   HD23  LEU  25          2HD2      LEU  25  -1.539   2.051  -2.622
  181    H    LYS  26           H        LYS  26  -3.741   4.452   1.816
  182    HA   LYS  26           HA       LYS  26  -1.813   6.424   1.088
  183    HB2  LYS  26           1HB      LYS  26  -4.217   6.665   0.724
  184    HB3  LYS  26           2HB      LYS  26  -4.517   6.722   2.467
  185    HG2  LYS  26           1HG      LYS  26  -3.174   8.777   2.670
  186    HG3  LYS  26           2HG      LYS  26  -2.785   8.725   0.947
  187    HD2  LYS  26           1HD      LYS  26  -5.587   9.035   2.121
  188    HD3  LYS  26           2HD      LYS  26  -4.568  10.363   1.544
  189    HE2  LYS  26           1HE      LYS  26  -4.531   9.330  -0.731
  190    HE3  LYS  26           2HE      LYS  26  -5.618   8.057  -0.160
  191    HZ1  LYS  26           3HZ      LYS  26  -6.849   9.843  -1.249
  192    HZ2  LYS  26           1HZ      LYS  26  -6.270  10.957  -0.209
  193    HZ3  LYS  26           2HZ      LYS  26  -7.275   9.784   0.325
  194    H    SER  27           H        SER  27  -3.142   5.634   4.309
  195    HA   SER  27           HA       SER  27  -1.586   7.448   5.851
  196    HB2  SER  27           1HB      SER  27  -2.599   4.684   6.632
  197    HB3  SER  27           2HB      SER  27  -2.027   5.938   7.743
  198    HG   SER  27           HG       SER  27  -4.324   5.973   6.069
  199    H    HIS  28           H        HIS  28  -0.649   4.415   4.363
  200    HA   HIS  28           HA       HIS  28   1.945   4.288   5.768
  201    HB2  HIS  28           1HB      HIS  28   0.866   2.201   5.293
  202    HB3  HIS  28           2HB      HIS  28   0.659   2.607   3.592
  203    HD1  HIS  28           1HD      HIS  28   3.514   1.754   6.049
  204    HD2  HIS  28           2HD      HIS  28   2.668   2.181   1.951
  205    HE1  HIS  28           1HE      HIS  28   5.598   0.976   4.829
  206    H    LYS  29           H        LYS  29   0.803   5.079   2.436
  207    HA   LYS  29           HA       LYS  29   3.351   5.596   1.279
  208    HB2  LYS  29           1HB      LYS  29   0.519   6.472   0.665
  209    HB3  LYS  29           2HB      LYS  29   1.871   7.203  -0.207
  210    HG2  LYS  29           1HG      LYS  29   2.672   5.062  -0.969
  211    HG3  LYS  29           2HG      LYS  29   1.422   4.196  -0.059
  212    HD2  LYS  29           1HD      LYS  29  -0.246   4.723  -1.573
  213    HD3  LYS  29           2HD      LYS  29   0.407   6.317  -1.901
  214    HE2  LYS  29           1HE      LYS  29   0.563   5.035  -3.911
  215    HE3  LYS  29           2HE      LYS  29   2.174   5.385  -3.301
  216    HZ1  LYS  29           3HZ      LYS  29   0.783   2.777  -3.154
  217    HZ2  LYS  29           1HZ      LYS  29   2.194   3.103  -2.357
  218    HZ3  LYS  29           2HZ      LYS  29   2.146   3.146  -3.989
  219    H    LEU  30           H        LEU  30   1.321   7.776   3.204
  220    HA   LEU  30           HA       LEU  30   2.831  10.156   2.944
  221    HB2  LEU  30           1HB      LEU  30   1.277   8.949   5.262
  222    HB3  LEU  30           2HB      LEU  30   1.985  10.558   5.349
  223    HG   LEU  30           HG       LEU  30  -0.034   9.751   3.210
  224   HD11  LEU  30          1HD1      LEU  30  -1.012   9.641   5.475
  225   HD12  LEU  30          2HD1      LEU  30  -1.668  11.000   4.549
  226   HD13  LEU  30          3HD1      LEU  30  -0.442  11.288   5.807
  227   HD21  LEU  30          3HD2      LEU  30   1.344  11.670   2.546
  228   HD22  LEU  30          1HD2      LEU  30   1.033  12.459   4.106
  229   HD23  LEU  30          2HD2      LEU  30  -0.292  12.202   2.946
  230    H    LEU  31           H        LEU  31   3.691   7.256   4.757
  231    HA   LEU  31           HA       LEU  31   5.829   8.491   6.292
  232    HB2  LEU  31           1HB      LEU  31   5.506   5.559   5.567
  233    HB3  LEU  31           2HB      LEU  31   6.463   6.230   6.873
  234    HG   LEU  31           HG       LEU  31   3.415   6.313   6.712
  235   HD11  LEU  31          1HD1      LEU  31   3.495   4.676   8.525
  236   HD12  LEU  31          2HD1      LEU  31   5.273   4.663   8.468
  237   HD13  LEU  31          3HD1      LEU  31   4.328   4.058   7.089
  238   HD21  LEU  31          3HD2      LEU  31   3.533   7.052   9.073
  239   HD22  LEU  31          1HD2      LEU  31   4.265   8.237   7.987
  240   HD23  LEU  31          2HD2      LEU  31   5.304   7.160   8.952
  241    H    HIS  32           H        HIS  32   5.619   7.234   3.020
  242    HA   HIS  32           HA       HIS  32   8.557   7.327   2.608
  243    HB2  HIS  32           1HB      HIS  32   6.272   6.802   0.675
  244    HB3  HIS  32           2HB      HIS  32   7.980   6.749   0.278
  245    HD1  HIS  32           1HD      HIS  32   9.389   4.760   1.835
  246    HD2  HIS  32           2HD      HIS  32   5.283   4.467   1.025
  247    HE1  HIS  32           1HE      HIS  32   8.825   2.291   2.025
  248    H    THR  33           H        THR  33   5.600   9.102   1.500
  249    HA   THR  33           HA       THR  33   7.144  10.902  -0.135
  250    HB   THR  33           HB       THR  33   5.026  12.054  -0.566
  251    HG1  THR  33           1HG      THR  33   3.159  11.284   0.381
  252   HG21  THR  33          3HG2      THR  33   5.599   9.999  -1.840
  253   HG22  THR  33          1HG2      THR  33   3.852  10.214  -1.645
  254   HG23  THR  33          2HG2      THR  33   4.714   9.021  -0.651
  255    H    ALA  34           H        ALA  34   6.634  11.050   3.224
  256    HA   ALA  34           HA       ALA  34   6.798  13.904   3.582
  257    HB1  ALA  34           1HB      ALA  34   6.052  12.388   5.351
  258    HB2  ALA  34           2HB      ALA  34   7.640  11.580   5.369
  259    HB3  ALA  34           3HB      ALA  34   7.491  13.274   5.881
  260    H    ASP  35           H        ASP  35   9.206  11.584   2.543
  261    HA   ASP  35           HA       ASP  35  11.512  13.237   3.308
  262    HB2  ASP  35           1HB      ASP  35  11.655  10.781   3.296
  263    HB3  ASP  35           2HB      ASP  35  11.303  10.760   1.565
  264    H    GLY  36           H        GLY  36  12.717  14.550   2.006
  265    HA2  GLY  36           1HA      GLY  36  12.614  14.798  -0.834
  266    HA3  GLY  36           2HA      GLY  36  11.506  15.976  -0.132
  Start of MODEL   16
    1    H1   GLY   1           1H       GLY   1 -16.279  -4.652 -23.071
    2    H2   GLY   1           2H       GLY   1 -17.402  -5.843 -23.168
    3    H3   GLY   1           3H       GLY   1 -15.872  -6.114 -23.686
    4    HA2  GLY   1           1HA      GLY   1 -16.657  -5.599 -20.893
    5    HA3  GLY   1           2HA      GLY   1 -16.234  -7.186 -21.559
    6    H    SER   2           H        SER   2 -14.984  -5.595 -19.384
    7    HA   SER   2           HA       SER   2 -12.162  -5.504 -20.373
    8    HB2  SER   2           1HB      SER   2 -13.496  -3.427 -18.594
    9    HB3  SER   2           2HB      SER   2 -11.776  -3.486 -19.021
   10    HG   SER   2           HG       SER   2 -12.966  -2.038 -20.357
   11    H    SER   3           H        SER   3 -10.566  -5.964 -18.845
   12    HA   SER   3           HA       SER   3 -11.315  -7.948 -16.920
   13    HB2  SER   3           1HB      SER   3  -8.599  -6.671 -17.394
   14    HB3  SER   3           2HB      SER   3  -8.920  -8.219 -16.586
   15    HG   SER   3           HG       SER   3  -8.332  -8.497 -18.791
   16    H    GLY   4           H        GLY   4 -10.933  -4.548 -16.470
   17    HA2  GLY   4           1HA      GLY   4 -11.081  -3.230 -14.558
   18    HA3  GLY   4           2HA      GLY   4 -11.317  -4.681 -13.588
   19    H    SER   5           H        SER   5  -9.945  -3.488 -12.043
   20    HA   SER   5           HA       SER   5  -7.111  -3.095 -12.599
   21    HB2  SER   5           1HB      SER   5  -7.006  -2.506 -10.182
   22    HB3  SER   5           2HB      SER   5  -8.166  -1.557 -11.122
   23    HG   SER   5           HG       SER   5  -9.047  -2.270  -9.121
   24    H    SER   6           H        SER   6  -5.359  -4.129 -11.584
   25    HA   SER   6           HA       SER   6  -5.653  -7.023 -11.405
   26    HB2  SER   6           1HB      SER   6  -3.189  -5.271 -11.121
   27    HB3  SER   6           2HB      SER   6  -3.207  -7.036 -11.287
   28    HG   SER   6           HG       SER   6  -2.852  -5.966 -13.298
   29    H    GLY   7           H        GLY   7  -5.286  -8.369  -9.704
   30    HA2  GLY   7           1HA      GLY   7  -4.891  -9.140  -7.572
   31    HA3  GLY   7           2HA      GLY   7  -4.122  -7.608  -7.185
   32    H    LYS   8           H        LYS   8  -5.265  -8.535  -5.153
   33    HA   LYS   8           HA       LYS   8  -7.935  -7.189  -4.799
   34    HB2  LYS   8           1HB      LYS   8  -6.889  -9.743  -3.503
   35    HB3  LYS   8           2HB      LYS   8  -8.393  -8.921  -3.064
   36    HG2  LYS   8           1HG      LYS   8  -9.210  -9.253  -5.408
   37    HG3  LYS   8           2HG      LYS   8  -7.727 -10.178  -5.746
   38    HD2  LYS   8           1HD      LYS   8  -8.337 -11.636  -3.720
   39    HD3  LYS   8           2HD      LYS   8  -9.931 -10.866  -3.745
   40    HE2  LYS   8           1HE      LYS   8  -8.605 -12.302  -6.074
   41    HE3  LYS   8           2HE      LYS   8  -9.734 -13.077  -4.954
   42    HZ1  LYS   8           3HZ      LYS   8 -11.447 -11.496  -5.678
   43    HZ2  LYS   8           1HZ      LYS   8 -10.889 -12.343  -6.954
   44    HZ3  LYS   8           2HZ      LYS   8 -10.415 -10.798  -6.740
   45    H    THR   9           H        THR   9  -4.682  -7.184  -3.740
   46    HA   THR   9           HA       THR   9  -5.233  -5.956  -1.106
   47    HB   THR   9           HB       THR   9  -2.667  -5.835  -1.086
   48    HG1  THR   9           1HG      THR   9  -1.703  -7.342  -2.543
   49   HG21  THR   9          3HG2      THR   9  -3.939  -8.590  -1.310
   50   HG22  THR   9          1HG2      THR   9  -3.899  -7.565   0.148
   51   HG23  THR   9          2HG2      THR   9  -2.385  -8.190  -0.534
   52    H    HIS  10           H        HIS  10  -4.455  -3.933  -0.486
   53    HA   HIS  10           HA       HIS  10  -4.007  -1.918  -2.641
   54    HB2  HIS  10           1HB      HIS  10  -4.501  -1.606   0.347
   55    HB3  HIS  10           2HB      HIS  10  -4.271  -0.299  -0.802
   56    HD1  HIS  10           1HD      HIS  10  -6.328   0.344  -2.343
   57    HD2  HIS  10           2HD      HIS  10  -6.868  -3.033   0.102
   58    HE1  HIS  10           1HE      HIS  10  -8.818  -0.183  -2.395
   59    H    LEU  11           H        LEU  11  -1.954  -2.214  -3.328
   60    HA   LEU  11           HA       LEU  11   0.171  -3.005  -1.426
   61    HB2  LEU  11           1HB      LEU  11  -0.188  -4.532  -3.147
   62    HB3  LEU  11           2HB      LEU  11  -0.342  -3.267  -4.377
   63    HG   LEU  11           HG       LEU  11   2.128  -2.806  -4.157
   64   HD11  LEU  11          1HD1      LEU  11   3.519  -4.575  -3.160
   65   HD12  LEU  11          2HD1      LEU  11   2.068  -5.412  -2.579
   66   HD13  LEU  11          3HD1      LEU  11   2.513  -3.825  -1.913
   67   HD21  LEU  11          3HD2      LEU  11   2.771  -4.807  -5.431
   68   HD22  LEU  11          1HD2      LEU  11   1.197  -4.186  -5.952
   69   HD23  LEU  11          2HD2      LEU  11   1.277  -5.627  -4.906
   70    H    CYS  12           H        CYS  12   1.881  -1.898  -0.916
   71    HA   CYS  12           HA       CYS  12   2.462   0.801  -1.835
   72    HB2  CYS  12           1HB      CYS  12   2.859  -0.026   0.477
   73    HB3  CYS  12           2HB      CYS  12   4.007  -1.211  -0.153
   74    H    ASP  13           H        ASP  13   3.517   1.238  -3.694
   75    HA   ASP  13           HA       ASP  13   4.950  -0.834  -5.203
   76    HB2  ASP  13           1HB      ASP  13   3.439   0.851  -6.229
   77    HB3  ASP  13           2HB      ASP  13   4.568   2.128  -5.763
   78    H    MET  14           H        MET  14   5.861   1.057  -2.617
   79    HA   MET  14           HA       MET  14   8.602   1.707  -3.593
   80    HB2  MET  14           1HB      MET  14   6.918   2.683  -1.269
   81    HB3  MET  14           2HB      MET  14   8.589   3.181  -1.561
   82    HG2  MET  14           1HG      MET  14   7.991   3.998  -3.782
   83    HG3  MET  14           2HG      MET  14   6.311   3.530  -3.560
   84    HE1  MET  14           3HE      MET  14   5.151   4.389  -1.040
   85    HE2  MET  14           1HE      MET  14   4.772   6.117  -1.242
   86    HE3  MET  14           2HE      MET  14   4.489   4.980  -2.578
   87    H    CYS  15           H        CYS  15   6.991  -0.095  -1.023
   88    HA   CYS  15           HA       CYS  15   9.563  -1.508  -0.506
   89    HB2  CYS  15           1HB      CYS  15   9.217  -1.591   1.855
   90    HB3  CYS  15           2HB      CYS  15   9.282   0.079   1.306
   91    H    GLY  16           H        GLY  16   6.314  -1.857  -1.367
   92    HA2  GLY  16           1HA      GLY  16   5.439  -3.844  -2.242
   93    HA3  GLY  16           2HA      GLY  16   6.702  -4.771  -1.458
   94    H    LYS  17           H        LYS  17   5.296  -2.868   0.923
   95    HA   LYS  17           HA       LYS  17   3.901  -5.054   2.187
   96    HB2  LYS  17           1HB      LYS  17   4.049  -2.076   2.810
   97    HB3  LYS  17           2HB      LYS  17   3.195  -3.249   3.821
   98    HG2  LYS  17           1HG      LYS  17   5.294  -4.557   4.097
   99    HG3  LYS  17           2HG      LYS  17   6.167  -3.364   3.122
  100    HD2  LYS  17           1HD      LYS  17   5.605  -1.605   4.795
  101    HD3  LYS  17           2HD      LYS  17   4.771  -2.827   5.783
  102    HE2  LYS  17           1HE      LYS  17   6.898  -4.130   5.916
  103    HE3  LYS  17           2HE      LYS  17   7.713  -2.886   4.963
  104    HZ1  LYS  17           3HZ      LYS  17   8.083  -2.580   7.346
  105    HZ2  LYS  17           1HZ      LYS  17   6.483  -2.446   7.635
  106    HZ3  LYS  17           2HZ      LYS  17   7.260  -1.303   6.756
  107    H    LYS  18           H        LYS  18   1.769  -5.380   2.595
  108    HA   LYS  18           HA       LYS  18  -0.144  -4.288   0.561
  109    HB2  LYS  18           1HB      LYS  18   0.295  -7.061   1.711
  110    HB3  LYS  18           2HB      LYS  18  -1.158  -6.630   0.813
  111    HG2  LYS  18           1HG      LYS  18  -0.008  -6.259  -1.206
  112    HG3  LYS  18           2HG      LYS  18   1.542  -6.076  -0.411
  113    HD2  LYS  18           1HD      LYS  18   1.384  -8.556   0.265
  114    HD3  LYS  18           2HD      LYS  18  -0.017  -8.649  -0.807
  115    HE2  LYS  18           1HE      LYS  18   1.773  -9.362  -2.147
  116    HE3  LYS  18           2HE      LYS  18   1.487  -7.694  -2.649
  117    HZ1  LYS  18           3HZ      LYS  18   3.858  -8.120  -2.322
  118    HZ2  LYS  18           1HZ      LYS  18   3.626  -8.616  -0.789
  119    HZ3  LYS  18           2HZ      LYS  18   3.396  -7.048  -1.178
  120    H    PHE  19           H        PHE  19  -2.069  -3.625   1.156
  121    HA   PHE  19           HA       PHE  19  -2.892  -3.678   4.024
  122    HB2  PHE  19           1HB      PHE  19  -2.850  -1.360   2.054
  123    HB3  PHE  19           2HB      PHE  19  -3.490  -1.274   3.676
  124    HD1  PHE  19           2HD      PHE  19  -1.932  -1.676   5.663
  125    HD2  PHE  19           1HD      PHE  19  -0.471  -1.185   1.640
  126    HE1  PHE  19           2HE      PHE  19   0.352  -1.237   6.542
  127    HE2  PHE  19           1HE      PHE  19   1.807  -0.761   2.514
  128    HZ   PHE  19           HZ       PHE  19   2.227  -0.796   4.968
  129    H    LYS  20           H        LYS  20  -5.112  -3.229   4.456
  130    HA   LYS  20           HA       LYS  20  -6.853  -4.688   2.590
  131    HB2  LYS  20           1HB      LYS  20  -8.305  -5.012   4.476
  132    HB3  LYS  20           2HB      LYS  20  -6.644  -5.381   4.929
  133    HG2  LYS  20           1HG      LYS  20  -6.459  -3.164   6.063
  134    HG3  LYS  20           2HG      LYS  20  -8.133  -2.795   5.599
  135    HD2  LYS  20           1HD      LYS  20  -8.925  -4.756   6.898
  136    HD3  LYS  20           2HD      LYS  20  -7.250  -5.124   7.364
  137    HE2  LYS  20           1HE      LYS  20  -7.070  -2.903   8.465
  138    HE3  LYS  20           2HE      LYS  20  -8.736  -2.533   7.998
  139    HZ1  LYS  20           3HZ      LYS  20  -9.467  -4.415   9.365
  140    HZ2  LYS  20           1HZ      LYS  20  -8.621  -3.362  10.278
  141    HZ3  LYS  20           2HZ      LYS  20  -7.929  -4.758   9.797
  142    H    SER  21           H        SER  21  -6.344  -1.407   2.981
  143    HA   SER  21           HA       SER  21  -8.809  -0.746   1.527
  144    HB2  SER  21           1HB      SER  21  -9.538  -0.576   3.871
  145    HB3  SER  21           2HB      SER  21  -8.193   0.522   4.224
  146    HG   SER  21           HG       SER  21 -10.253   1.561   3.758
  147    H    LYS  22           H        LYS  22  -8.771   1.328   0.565
  148    HA   LYS  22           HA       LYS  22  -6.271   2.318  -0.450
  149    HB2  LYS  22           1HB      LYS  22  -8.976   3.722  -0.231
  150    HB3  LYS  22           2HB      LYS  22  -7.601   4.262  -1.210
  151    HG2  LYS  22           1HG      LYS  22  -7.799   2.160  -2.550
  152    HG3  LYS  22           2HG      LYS  22  -9.267   1.767  -1.610
  153    HD2  LYS  22           1HD      LYS  22 -10.322   3.870  -2.374
  154    HD3  LYS  22           2HD      LYS  22  -8.869   4.256  -3.323
  155    HE2  LYS  22           1HE      LYS  22  -9.181   2.172  -4.642
  156    HE3  LYS  22           2HE      LYS  22 -10.626   1.787  -3.696
  157    HZ1  LYS  22           3HZ      LYS  22 -11.648   3.830  -4.549
  158    HZ2  LYS  22           1HZ      LYS  22 -11.203   2.871  -5.791
  159    HZ3  LYS  22           2HZ      LYS  22 -10.314   4.186  -5.424
  160    H    GLY  23           H        GLY  23  -8.299   3.411   2.272
  161    HA2  GLY  23           1HA      GLY  23  -6.768   5.754   2.931
  162    HA3  GLY  23           2HA      GLY  23  -7.891   4.905   3.997
  163    H    THR  24           H        THR  24  -6.602   2.364   4.154
  164    HA   THR  24           HA       THR  24  -4.544   2.808   6.082
  165    HB   THR  24           HB       THR  24  -4.974   0.227   4.539
  166    HG1  THR  24           1HG      THR  24  -6.442  -0.216   6.297
  167   HG21  THR  24          3HG2      THR  24  -4.267  -0.822   6.631
  168   HG22  THR  24          1HG2      THR  24  -4.143   0.769   7.423
  169   HG23  THR  24          2HG2      THR  24  -3.031   0.335   6.110
  170    H    LEU  25           H        LEU  25  -4.348   1.807   2.617
  171    HA   LEU  25           HA       LEU  25  -1.485   1.740   2.497
  172    HB2  LEU  25           1HB      LEU  25  -2.809   0.644   0.833
  173    HB3  LEU  25           2HB      LEU  25  -3.697   2.114   0.464
  174    HG   LEU  25           HG       LEU  25  -1.577   3.120  -0.470
  175   HD11  LEU  25          1HD1      LEU  25   0.323   1.615  -0.964
  176   HD12  LEU  25          2HD1      LEU  25  -0.479   0.301  -0.085
  177   HD13  LEU  25          3HD1      LEU  25   0.082   1.753   0.775
  178   HD21  LEU  25          3HD2      LEU  25  -2.343   0.477  -1.726
  179   HD22  LEU  25          1HD2      LEU  25  -1.616   1.868  -2.537
  180   HD23  LEU  25          2HD2      LEU  25  -3.262   1.994  -1.884
  181    H    LYS  26           H        LYS  26  -3.810   4.455   1.884
  182    HA   LYS  26           HA       LYS  26  -1.886   6.389   1.097
  183    HB2  LYS  26           1HB      LYS  26  -4.324   6.685   0.890
  184    HB3  LYS  26           2HB      LYS  26  -4.482   6.774   2.650
  185    HG2  LYS  26           1HG      LYS  26  -3.063   8.825   2.670
  186    HG3  LYS  26           2HG      LYS  26  -2.876   8.696   0.918
  187    HD2  LYS  26           1HD      LYS  26  -4.548  10.357   1.346
  188    HD3  LYS  26           2HD      LYS  26  -5.383   8.938   0.692
  189    HE2  LYS  26           1HE      LYS  26  -6.042   8.265   2.992
  190    HE3  LYS  26           2HE      LYS  26  -5.155   9.642   3.658
  191    HZ1  LYS  26           3HZ      LYS  26  -7.497   9.853   1.835
  192    HZ2  LYS  26           1HZ      LYS  26  -6.675  11.121   2.459
  193    HZ3  LYS  26           2HZ      LYS  26  -7.523  10.136   3.443
  194    H    SER  27           H        SER  27  -3.106   5.744   4.416
  195    HA   SER  27           HA       SER  27  -1.356   7.497   5.792
  196    HB2  SER  27           1HB      SER  27  -2.619   4.879   6.683
  197    HB3  SER  27           2HB      SER  27  -1.801   6.027   7.764
  198    HG   SER  27           HG       SER  27  -4.082   6.370   7.672
  199    H    HIS  28           H        HIS  28  -0.577   4.440   4.293
  200    HA   HIS  28           HA       HIS  28   2.035   4.246   5.678
  201    HB2  HIS  28           1HB      HIS  28   0.890   2.172   5.264
  202    HB3  HIS  28           2HB      HIS  28   0.701   2.540   3.550
  203    HD1  HIS  28           1HD      HIS  28   3.543   1.750   6.052
  204    HD2  HIS  28           2HD      HIS  28   2.714   2.036   1.940
  205    HE1  HIS  28           1HE      HIS  28   5.638   0.946   4.869
  206    H    LYS  29           H        LYS  29   0.821   4.997   2.356
  207    HA   LYS  29           HA       LYS  29   3.370   5.465   1.155
  208    HB2  LYS  29           1HB      LYS  29   0.581   6.508   0.538
  209    HB3  LYS  29           2HB      LYS  29   1.998   6.944  -0.423
  210    HG2  LYS  29           1HG      LYS  29   2.462   4.542  -0.862
  211    HG3  LYS  29           2HG      LYS  29   0.989   4.097   0.014
  212    HD2  LYS  29           1HD      LYS  29  -0.400   5.299  -1.599
  213    HD3  LYS  29           2HD      LYS  29   1.040   5.976  -2.381
  214    HE2  LYS  29           1HE      LYS  29   1.775   3.677  -3.006
  215    HE3  LYS  29           2HE      LYS  29   0.275   3.037  -2.331
  216    HZ1  LYS  29           3HZ      LYS  29   0.446   4.960  -4.590
  217    HZ2  LYS  29           1HZ      LYS  29  -0.951   4.397  -3.959
  218    HZ3  LYS  29           2HZ      LYS  29   0.073   3.378  -4.723
  219    H    LEU  30           H        LEU  30   1.343   7.667   3.052
  220    HA   LEU  30           HA       LEU  30   2.861  10.042   2.737
  221    HB2  LEU  30           1HB      LEU  30   1.213   8.948   5.036
  222    HB3  LEU  30           2HB      LEU  30   1.924  10.558   5.069
  223    HG   LEU  30           HG       LEU  30  -0.020   9.637   2.906
  224   HD11  LEU  30          1HD1      LEU  30  -0.477  11.342   5.384
  225   HD12  LEU  30          2HD1      LEU  30  -1.055   9.681   5.138
  226   HD13  LEU  30          3HD1      LEU  30  -1.675  10.986   4.113
  227   HD21  LEU  30          3HD2      LEU  30   1.372  11.472   2.118
  228   HD22  LEU  30          1HD2      LEU  30   1.089  12.380   3.624
  229   HD23  LEU  30          2HD2      LEU  30  -0.243  12.079   2.485
  230    H    LEU  31           H        LEU  31   3.655   7.204   4.642
  231    HA   LEU  31           HA       LEU  31   5.772   8.472   6.193
  232    HB2  LEU  31           1HB      LEU  31   5.441   5.518   5.568
  233    HB3  LEU  31           2HB      LEU  31   6.378   6.231   6.867
  234    HG   LEU  31           HG       LEU  31   3.342   6.314   6.638
  235   HD11  LEU  31          1HD1      LEU  31   5.153   4.742   8.509
  236   HD12  LEU  31          2HD1      LEU  31   4.244   4.076   7.134
  237   HD13  LEU  31          3HD1      LEU  31   3.374   4.754   8.520
  238   HD21  LEU  31          3HD2      LEU  31   3.403   7.152   8.970
  239   HD22  LEU  31          1HD2      LEU  31   4.159   8.290   7.853
  240   HD23  LEU  31          2HD2      LEU  31   5.177   7.258   8.884
  241    H    HIS  32           H        HIS  32   5.625   7.075   2.964
  242    HA   HIS  32           HA       HIS  32   8.564   7.091   2.619
  243    HB2  HIS  32           1HB      HIS  32   6.283   6.629   0.665
  244    HB3  HIS  32           2HB      HIS  32   7.986   6.614   0.241
  245    HD1  HIS  32           1HD      HIS  32   9.484   4.582   1.406
  246    HD2  HIS  32           2HD      HIS  32   5.294   4.338   1.486
  247    HE1  HIS  32           1HE      HIS  32   8.946   2.138   1.811
  248    H    THR  33           H        THR  33   5.730   9.018   1.478
  249    HA   THR  33           HA       THR  33   7.332  11.453   1.595
  250    HB   THR  33           HB       THR  33   7.997  10.776  -0.623
  251    HG1  THR  33           1HG      THR  33   7.806  12.855  -0.747
  252   HG21  THR  33          3HG2      THR  33   6.499  10.494  -2.481
  253   HG22  THR  33          1HG2      THR  33   5.070  10.765  -1.461
  254   HG23  THR  33          2HG2      THR  33   6.067   9.308  -1.245
  255    H    ALA  34           H        ALA  34   6.149  13.211   2.015
  256    HA   ALA  34           HA       ALA  34   3.188  13.034   2.024
  257    HB1  ALA  34           1HB      ALA  34   4.346  13.713   4.092
  258    HB2  ALA  34           2HB      ALA  34   5.074  15.093   3.234
  259    HB3  ALA  34           3HB      ALA  34   3.314  15.009   3.462
  260    H    ASP  35           H        ASP  35   5.429  13.861  -0.257
  261    HA   ASP  35           HA       ASP  35   3.844  16.166  -1.350
  262    HB2  ASP  35           1HB      ASP  35   6.079  16.742  -0.424
  263    HB3  ASP  35           2HB      ASP  35   6.823  15.625  -1.569
  264    H    GLY  36           H        GLY  36   5.534  13.140  -2.190
  265    HA2  GLY  36           1HA      GLY  36   5.142  11.675  -3.951
  266    HA3  GLY  36           2HA      GLY  36   3.847  12.718  -4.526
  Start of MODEL   17
    1    H1   GLY   1           1H       GLY   1 -15.786  -9.682 -21.570
    2    H2   GLY   1           2H       GLY   1 -16.773 -10.383 -20.469
    3    H3   GLY   1           3H       GLY   1 -15.694 -11.296 -21.299
    4    HA2  GLY   1           1HA      GLY   1 -14.906 -10.951 -19.059
    5    HA3  GLY   1           2HA      GLY   1 -13.840 -10.184 -20.250
    6    H    SER   2           H        SER   2 -13.279  -9.048 -18.140
    7    HA   SER   2           HA       SER   2 -14.874  -6.535 -17.824
    8    HB2  SER   2           1HB      SER   2 -13.707  -8.216 -15.573
    9    HB3  SER   2           2HB      SER   2 -14.469  -6.626 -15.396
   10    HG   SER   2           HG       SER   2 -15.926  -8.355 -14.958
   11    H    SER   3           H        SER   3 -13.725  -4.690 -17.285
   12    HA   SER   3           HA       SER   3 -10.991  -4.597 -18.219
   13    HB2  SER   3           1HB      SER   3 -12.692  -2.393 -17.005
   14    HB3  SER   3           2HB      SER   3 -11.218  -2.189 -17.971
   15    HG   SER   3           HG       SER   3 -13.120  -1.927 -19.232
   16    H    GLY   4           H        GLY   4 -12.081  -5.349 -15.142
   17    HA2  GLY   4           1HA      GLY   4  -9.505  -5.147 -13.891
   18    HA3  GLY   4           2HA      GLY   4 -10.567  -3.855 -13.320
   19    H    SER   5           H        SER   5 -10.083  -5.075 -11.268
   20    HA   SER   5           HA       SER   5 -12.275  -6.962 -10.646
   21    HB2  SER   5           1HB      SER   5 -10.134  -8.240 -11.267
   22    HB3  SER   5           2HB      SER   5  -9.428  -7.570  -9.788
   23    HG   SER   5           HG       SER   5 -11.768  -9.199 -10.043
   24    H    SER   6           H        SER   6 -12.584  -7.240  -8.307
   25    HA   SER   6           HA       SER   6 -11.858  -4.816  -6.702
   26    HB2  SER   6           1HB      SER   6 -14.666  -5.873  -7.209
   27    HB3  SER   6           2HB      SER   6 -14.238  -4.562  -6.099
   28    HG   SER   6           HG       SER   6 -14.940  -3.787  -8.148
   29    H    GLY   7           H        GLY   7 -12.440  -4.947  -4.422
   30    HA2  GLY   7           1HA      GLY   7 -12.654  -5.967  -2.369
   31    HA3  GLY   7           2HA      GLY   7 -13.211  -7.436  -3.168
   32    H    LYS   8           H        LYS   8 -10.095  -6.036  -3.951
   33    HA   LYS   8           HA       LYS   8  -8.647  -8.323  -2.658
   34    HB2  LYS   8           1HB      LYS   8  -8.346  -7.116  -5.436
   35    HB3  LYS   8           2HB      LYS   8  -7.154  -8.212  -4.715
   36    HG2  LYS   8           1HG      LYS   8  -8.755  -9.994  -4.532
   37    HG3  LYS   8           2HG      LYS   8 -10.081  -8.943  -5.062
   38    HD2  LYS   8           1HD      LYS   8  -9.055  -8.656  -7.264
   39    HD3  LYS   8           2HD      LYS   8  -7.654  -9.649  -6.772
   40    HE2  LYS   8           1HE      LYS   8  -9.087 -11.568  -6.376
   41    HE3  LYS   8           2HE      LYS   8 -10.539 -10.594  -6.663
   42    HZ1  LYS   8           3HZ      LYS   8  -9.884 -10.316  -8.951
   43    HZ2  LYS   8           1HZ      LYS   8  -9.937 -11.916  -8.625
   44    HZ3  LYS   8           2HZ      LYS   8  -8.490 -11.164  -8.738
   45    H    THR   9           H        THR   9  -6.325  -8.005  -2.404
   46    HA   THR   9           HA       THR   9  -5.926  -6.000  -0.536
   47    HB   THR   9           HB       THR   9  -3.486  -7.208  -1.817
   48    HG1  THR   9           1HG      THR   9  -3.963  -9.197  -0.878
   49   HG21  THR   9          3HG2      THR   9  -2.980  -7.729   0.560
   50   HG22  THR   9          1HG2      THR   9  -4.516  -6.981   1.046
   51   HG23  THR   9          2HG2      THR   9  -3.244  -5.997   0.284
   52    H    HIS  10           H        HIS  10  -4.858  -4.088  -0.386
   53    HA   HIS  10           HA       HIS  10  -4.049  -2.676  -2.875
   54    HB2  HIS  10           1HB      HIS  10  -4.515  -1.711  -0.030
   55    HB3  HIS  10           2HB      HIS  10  -3.961  -0.701  -1.359
   56    HD1  HIS  10           1HD      HIS  10  -5.801   0.209  -3.014
   57    HD2  HIS  10           2HD      HIS  10  -7.111  -2.758  -0.334
   58    HE1  HIS  10           1HE      HIS  10  -8.344   0.158  -3.190
   59    H    LEU  11           H        LEU  11  -1.930  -1.610  -2.959
   60    HA   LEU  11           HA       LEU  11   0.185  -2.982  -1.356
   61    HB2  LEU  11           1HB      LEU  11  -0.251  -4.426  -3.162
   62    HB3  LEU  11           2HB      LEU  11  -0.393  -3.093  -4.319
   63    HG   LEU  11           HG       LEU  11   2.080  -2.696  -4.116
   64   HD11  LEU  11          1HD1      LEU  11   3.444  -4.537  -3.177
   65   HD12  LEU  11          2HD1      LEU  11   1.968  -5.331  -2.586
   66   HD13  LEU  11          3HD1      LEU  11   2.477  -3.769  -1.912
   67   HD21  LEU  11          3HD2      LEU  11   1.109  -4.023  -5.935
   68   HD22  LEU  11          1HD2      LEU  11   1.187  -5.488  -4.922
   69   HD23  LEU  11          2HD2      LEU  11   2.683  -4.672  -5.448
   70    H    CYS  12           H        CYS  12   1.923  -1.884  -0.910
   71    HA   CYS  12           HA       CYS  12   2.432   0.857  -1.764
   72    HB2  CYS  12           1HB      CYS  12   2.945   0.007   0.499
   73    HB3  CYS  12           2HB      CYS  12   4.046  -1.189  -0.194
   74    H    ASP  13           H        ASP  13   3.407   1.368  -3.636
   75    HA   ASP  13           HA       ASP  13   4.796  -0.635  -5.276
   76    HB2  ASP  13           1HB      ASP  13   3.213   1.049  -6.184
   77    HB3  ASP  13           2HB      ASP  13   4.337   2.333  -5.729
   78    H    MET  14           H        MET  14   5.790   1.152  -2.662
   79    HA   MET  14           HA       MET  14   8.499   1.847  -3.716
   80    HB2  MET  14           1HB      MET  14   6.874   2.809  -1.347
   81    HB3  MET  14           2HB      MET  14   8.538   3.313  -1.681
   82    HG2  MET  14           1HG      MET  14   7.871   4.140  -3.882
   83    HG3  MET  14           2HG      MET  14   6.195   3.690  -3.594
   84    HE1  MET  14           3HE      MET  14   4.434   5.180  -2.551
   85    HE2  MET  14           1HE      MET  14   5.133   4.545  -1.046
   86    HE3  MET  14           2HE      MET  14   4.785   6.284  -1.204
   87    H    CYS  15           H        CYS  15   6.937   0.061  -1.089
   88    HA   CYS  15           HA       CYS  15   9.492  -1.394  -0.679
   89    HB2  CYS  15           1HB      CYS  15   9.356  -1.400   1.677
   90    HB3  CYS  15           2HB      CYS  15   9.376   0.254   1.091
   91    H    GLY  16           H        GLY  16   6.325  -1.743  -1.545
   92    HA2  GLY  16           1HA      GLY  16   5.419  -3.732  -2.345
   93    HA3  GLY  16           2HA      GLY  16   6.713  -4.633  -1.575
   94    H    LYS  17           H        LYS  17   5.282  -2.774   0.803
   95    HA   LYS  17           HA       LYS  17   4.012  -5.004   2.123
   96    HB2  LYS  17           1HB      LYS  17   4.044  -2.019   2.732
   97    HB3  LYS  17           2HB      LYS  17   3.356  -3.243   3.807
   98    HG2  LYS  17           1HG      LYS  17   5.547  -4.373   3.985
   99    HG3  LYS  17           2HG      LYS  17   6.246  -3.213   2.843
  100    HD2  LYS  17           1HD      LYS  17   5.666  -1.362   4.458
  101    HD3  LYS  17           2HD      LYS  17   5.144  -2.589   5.612
  102    HE2  LYS  17           1HE      LYS  17   7.412  -1.817   6.109
  103    HE3  LYS  17           2HE      LYS  17   7.415  -3.534   5.694
  104    HZ1  LYS  17           3HZ      LYS  17   8.305  -3.020   3.556
  105    HZ2  LYS  17           1HZ      LYS  17   9.198  -2.134   4.601
  106    HZ3  LYS  17           2HZ      LYS  17   8.024  -1.426   3.683
  107    H    LYS  18           H        LYS  18   1.886  -5.325   2.674
  108    HA   LYS  18           HA       LYS  18  -0.077  -4.353   0.635
  109    HB2  LYS  18           1HB      LYS  18   0.502  -7.065   1.820
  110    HB3  LYS  18           2HB      LYS  18  -1.063  -6.717   1.095
  111    HG2  LYS  18           1HG      LYS  18  -0.187  -6.300  -1.046
  112    HG3  LYS  18           2HG      LYS  18   1.439  -6.040  -0.445
  113    HD2  LYS  18           1HD      LYS  18   1.432  -8.542   0.263
  114    HD3  LYS  18           2HD      LYS  18  -0.055  -8.670  -0.688
  115    HE2  LYS  18           1HE      LYS  18   1.630  -9.303  -2.193
  116    HE3  LYS  18           2HE      LYS  18   1.260  -7.632  -2.629
  117    HZ1  LYS  18           3HZ      LYS  18   3.664  -7.992  -2.512
  118    HZ2  LYS  18           1HZ      LYS  18   3.576  -8.541  -0.984
  119    HZ3  LYS  18           2HZ      LYS  18   3.273  -6.970  -1.297
  120    H    PHE  19           H        PHE  19  -2.119  -3.882   1.164
  121    HA   PHE  19           HA       PHE  19  -2.823  -3.569   4.053
  122    HB2  PHE  19           1HB      PHE  19  -2.858  -1.445   1.875
  123    HB3  PHE  19           2HB      PHE  19  -3.465  -1.217   3.506
  124    HD1  PHE  19           2HD      PHE  19  -1.861  -1.449   5.486
  125    HD2  PHE  19           1HD      PHE  19  -0.494  -1.285   1.403
  126    HE1  PHE  19           2HE      PHE  19   0.441  -0.961   6.278
  127    HE2  PHE  19           1HE      PHE  19   1.806  -0.803   2.197
  128    HZ   PHE  19           HZ       PHE  19   2.281  -0.665   4.633
  129    H    LYS  20           H        LYS  20  -4.990  -3.240   4.571
  130    HA   LYS  20           HA       LYS  20  -6.821  -4.850   3.046
  131    HB2  LYS  20           1HB      LYS  20  -8.328  -4.541   4.878
  132    HB3  LYS  20           2HB      LYS  20  -6.705  -4.756   5.526
  133    HG2  LYS  20           1HG      LYS  20  -6.544  -2.247   5.816
  134    HG3  LYS  20           2HG      LYS  20  -8.224  -2.115   5.262
  135    HD2  LYS  20           1HD      LYS  20  -8.891  -3.674   7.132
  136    HD3  LYS  20           2HD      LYS  20  -7.238  -3.585   7.747
  137    HE2  LYS  20           1HE      LYS  20  -9.160  -1.233   7.389
  138    HE3  LYS  20           2HE      LYS  20  -8.834  -2.064   8.911
  139    HZ1  LYS  20           3HZ      LYS  20  -7.507  -0.085   8.789
  140    HZ2  LYS  20           1HZ      LYS  20  -6.873  -0.471   7.343
  141    HZ3  LYS  20           2HZ      LYS  20  -6.484  -1.351   8.681
  142    H    SER  21           H        SER  21  -6.291  -1.443   2.981
  143    HA   SER  21           HA       SER  21  -8.490  -0.973   1.070
  144    HB2  SER  21           1HB      SER  21  -9.651  -0.690   3.176
  145    HB3  SER  21           2HB      SER  21  -8.354   0.332   3.815
  146    HG   SER  21           HG       SER  21 -10.264   1.448   2.954
  147    H    LYS  22           H        LYS  22  -8.233   0.951  -0.101
  148    HA   LYS  22           HA       LYS  22  -5.647   2.155  -0.418
  149    HB2  LYS  22           1HB      LYS  22  -6.858   3.906  -1.707
  150    HB3  LYS  22           2HB      LYS  22  -7.159   2.265  -2.250
  151    HG2  LYS  22           1HG      LYS  22  -9.363   2.253  -1.123
  152    HG3  LYS  22           2HG      LYS  22  -9.062   3.886  -0.502
  153    HD2  LYS  22           1HD      LYS  22  -8.930   4.748  -2.824
  154    HD3  LYS  22           2HD      LYS  22  -9.227   3.110  -3.447
  155    HE2  LYS  22           1HE      LYS  22 -11.413   3.061  -2.266
  156    HE3  LYS  22           2HE      LYS  22 -11.116   4.688  -1.640
  157    HZ1  LYS  22           3HZ      LYS  22 -11.096   5.498  -3.940
  158    HZ2  LYS  22           1HZ      LYS  22 -12.509   4.747  -3.626
  159    HZ3  LYS  22           2HZ      LYS  22 -11.372   3.995  -4.520
  160    H    GLY  23           H        GLY  23  -8.308   2.937   1.758
  161    HA2  GLY  23           1HA      GLY  23  -7.320   5.490   2.680
  162    HA3  GLY  23           2HA      GLY  23  -8.459   4.425   3.514
  163    H    THR  24           H        THR  24  -6.465   2.158   3.491
  164    HA   THR  24           HA       THR  24  -4.871   2.916   5.879
  165    HB   THR  24           HB       THR  24  -5.034   0.238   4.449
  166    HG1  THR  24           1HG      THR  24  -6.994   1.287   5.519
  167   HG21  THR  24          3HG2      THR  24  -4.200   0.945   7.297
  168   HG22  THR  24          1HG2      THR  24  -3.082   0.491   5.998
  169   HG23  THR  24          2HG2      THR  24  -4.268  -0.685   6.585
  170    H    LEU  25           H        LEU  25  -4.315   1.759   2.510
  171    HA   LEU  25           HA       LEU  25  -1.485   1.835   2.529
  172    HB2  LEU  25           1HB      LEU  25  -2.716   0.739   0.771
  173    HB3  LEU  25           2HB      LEU  25  -3.583   2.221   0.372
  174    HG   LEU  25           HG       LEU  25  -1.509   3.257  -0.473
  175   HD11  LEU  25          1HD1      LEU  25   0.506   1.892  -0.841
  176   HD12  LEU  25          2HD1      LEU  25  -0.235   0.536   0.035
  177   HD13  LEU  25          3HD1      LEU  25   0.174   2.044   0.880
  178   HD21  LEU  25          3HD2      LEU  25  -2.083   0.538  -1.672
  179   HD22  LEU  25          1HD2      LEU  25  -1.340   1.916  -2.499
  180   HD23  LEU  25          2HD2      LEU  25  -3.023   2.028  -1.953
  181    H    LYS  26           H        LYS  26  -3.825   4.465   1.768
  182    HA   LYS  26           HA       LYS  26  -2.142   6.548   1.039
  183    HB2  LYS  26           1HB      LYS  26  -4.555   6.801   1.108
  184    HB3  LYS  26           2HB      LYS  26  -4.601   6.432   2.830
  185    HG2  LYS  26           1HG      LYS  26  -3.366   8.622   3.266
  186    HG3  LYS  26           2HG      LYS  26  -3.510   8.966   1.542
  187    HD2  LYS  26           1HD      LYS  26  -5.252  10.114   2.813
  188    HD3  LYS  26           2HD      LYS  26  -5.962   8.923   1.730
  189    HE2  LYS  26           1HE      LYS  26  -7.118   8.917   3.864
  190    HE3  LYS  26           2HE      LYS  26  -6.328   7.366   3.609
  191    HZ1  LYS  26           3HZ      LYS  26  -5.194   9.531   5.308
  192    HZ2  LYS  26           1HZ      LYS  26  -4.622   7.992   5.201
  193    HZ3  LYS  26           2HZ      LYS  26  -6.059   8.275   5.882
  194    H    SER  27           H        SER  27  -2.980   5.646   4.398
  195    HA   SER  27           HA       SER  27  -1.295   7.594   5.639
  196    HB2  SER  27           1HB      SER  27  -2.508   5.051   6.767
  197    HB3  SER  27           2HB      SER  27  -1.850   6.409   7.708
  198    HG   SER  27           HG       SER  27  -4.125   6.566   7.439
  199    H    HIS  28           H        HIS  28  -0.552   4.421   4.379
  200    HA   HIS  28           HA       HIS  28   2.066   4.264   5.731
  201    HB2  HIS  28           1HB      HIS  28   0.947   2.186   5.240
  202    HB3  HIS  28           2HB      HIS  28   0.756   2.615   3.539
  203    HD1  HIS  28           1HD      HIS  28   3.606   1.764   6.013
  204    HD2  HIS  28           2HD      HIS  28   2.772   2.171   1.912
  205    HE1  HIS  28           1HE      HIS  28   5.707   1.013   4.806
  206    H    LYS  29           H        LYS  29   0.828   5.147   2.457
  207    HA   LYS  29           HA       LYS  29   3.366   5.627   1.238
  208    HB2  LYS  29           1HB      LYS  29   0.578   6.709   0.704
  209    HB3  LYS  29           2HB      LYS  29   1.984   7.193  -0.256
  210    HG2  LYS  29           1HG      LYS  29   2.442   4.820  -0.813
  211    HG3  LYS  29           2HG      LYS  29   0.997   4.326   0.083
  212    HD2  LYS  29           1HD      LYS  29  -0.445   5.575  -1.441
  213    HD3  LYS  29           2HD      LYS  29   0.965   6.298  -2.237
  214    HE2  LYS  29           1HE      LYS  29   1.708   4.052  -2.987
  215    HE3  LYS  29           2HE      LYS  29   0.263   3.341  -2.260
  216    HZ1  LYS  29           3HZ      LYS  29  -0.063   3.761  -4.632
  217    HZ2  LYS  29           1HZ      LYS  29   0.261   5.348  -4.456
  218    HZ3  LYS  29           2HZ      LYS  29  -1.083   4.712  -3.783
  219    H    LEU  30           H        LEU  30   1.422   7.798   3.266
  220    HA   LEU  30           HA       LEU  30   2.984  10.150   3.043
  221    HB2  LEU  30           1HB      LEU  30   1.525   8.940   5.425
  222    HB3  LEU  30           2HB      LEU  30   2.235  10.549   5.444
  223    HG   LEU  30           HG       LEU  30   0.028   9.677   3.534
  224   HD11  LEU  30          1HD1      LEU  30  -0.680   9.786   5.913
  225   HD12  LEU  30          2HD1      LEU  30  -1.430  11.058   4.931
  226   HD13  LEU  30          3HD1      LEU  30  -0.070  11.449   6.008
  227   HD21  LEU  30          3HD2      LEU  30   1.259  12.411   4.075
  228   HD22  LEU  30          1HD2      LEU  30  -0.210  12.119   3.117
  229   HD23  LEU  30          2HD2      LEU  30   1.340  11.494   2.554
  230    H    LEU  31           H        LEU  31   3.799   7.171   4.787
  231    HA   LEU  31           HA       LEU  31   5.986   8.327   6.303
  232    HB2  LEU  31           1HB      LEU  31   5.575   5.416   5.547
  233    HB3  LEU  31           2HB      LEU  31   6.562   6.043   6.854
  234    HG   LEU  31           HG       LEU  31   3.517   6.199   6.713
  235   HD11  LEU  31          1HD1      LEU  31   5.350   4.512   8.459
  236   HD12  LEU  31          2HD1      LEU  31   4.392   3.926   7.081
  237   HD13  LEU  31          3HD1      LEU  31   3.571   4.556   8.520
  238   HD21  LEU  31          3HD2      LEU  31   4.408   8.104   7.990
  239   HD22  LEU  31          1HD2      LEU  31   5.434   7.008   8.943
  240   HD23  LEU  31          2HD2      LEU  31   3.662   6.928   9.077
  241    H    HIS  32           H        HIS  32   5.712   7.279   2.993
  242    HA   HIS  32           HA       HIS  32   8.654   7.202   2.587
  243    HB2  HIS  32           1HB      HIS  32   6.313   6.830   0.686
  244    HB3  HIS  32           2HB      HIS  32   8.002   6.809   0.209
  245    HD1  HIS  32           1HD      HIS  32   9.514   4.732   1.263
  246    HD2  HIS  32           2HD      HIS  32   5.326   4.518   1.471
  247    HE1  HIS  32           1HE      HIS  32   8.967   2.282   1.614
  248    H    THR  33           H        THR  33   5.841   9.334   1.875
  249    HA   THR  33           HA       THR  33   7.500  11.111   0.246
  250    HB   THR  33           HB       THR  33   5.443  12.397  -0.086
  251    HG1  THR  33           1HG      THR  33   3.534  11.630   0.775
  252   HG21  THR  33          3HG2      THR  33   4.200  10.714  -1.339
  253   HG22  THR  33          1HG2      THR  33   4.998   9.401  -0.449
  254   HG23  THR  33          2HG2      THR  33   5.939  10.441  -1.540
  255    H    ALA  34           H        ALA  34   6.303  11.246   3.593
  256    HA   ALA  34           HA       ALA  34   6.942  14.066   3.895
  257    HB1  ALA  34           1HB      ALA  34   6.394  11.932   5.992
  258    HB2  ALA  34           2HB      ALA  34   6.416  13.688   6.252
  259    HB3  ALA  34           3HB      ALA  34   5.173  12.965   5.210
  260    H    ASP  35           H        ASP  35   8.735  15.033   4.703
  261    HA   ASP  35           HA       ASP  35  11.217  13.438   4.942
  262    HB2  ASP  35           1HB      ASP  35  11.049  15.411   3.450
  263    HB3  ASP  35           2HB      ASP  35  10.750  16.438   4.852
  264    H    GLY  36           H        GLY  36   9.014  15.126   7.061
  265    HA2  GLY  36           1HA      GLY  36   9.912  14.126   9.497
  266    HA3  GLY  36           2HA      GLY  36  10.805  15.633   9.285
  Start of MODEL   18
    1    H1   GLY   1           1H       GLY   1   7.362  -7.862 -20.817
    2    H2   GLY   1           2H       GLY   1   7.525  -8.105 -19.204
    3    H3   GLY   1           3H       GLY   1   8.302  -6.859 -19.926
    4    HA2  GLY   1           1HA      GLY   1   6.215  -5.784 -20.467
    5    HA3  GLY   1           2HA      GLY   1   5.379  -7.130 -19.671
    6    H    SER   2           H        SER   2   4.425  -5.343 -18.392
    7    HA   SER   2           HA       SER   2   5.949  -3.726 -16.600
    8    HB2  SER   2           1HB      SER   2   3.044  -4.600 -16.392
    9    HB3  SER   2           2HB      SER   2   3.798  -3.239 -15.540
   10    HG   SER   2           HG       SER   2   2.700  -2.570 -17.450
   11    H    SER   3           H        SER   3   6.200  -3.799 -14.348
   12    HA   SER   3           HA       SER   3   6.560  -6.468 -13.182
   13    HB2  SER   3           1HB      SER   3   8.200  -4.592 -12.915
   14    HB3  SER   3           2HB      SER   3   7.011  -3.760 -11.890
   15    HG   SER   3           HG       SER   3   8.526  -5.048 -10.692
   16    H    GLY   4           H        GLY   4   5.675  -7.150 -11.176
   17    HA2  GLY   4           1HA      GLY   4   4.032  -7.508  -9.594
   18    HA3  GLY   4           2HA      GLY   4   3.438  -5.874  -9.863
   19    H    SER   5           H        SER   5   1.501  -7.391  -9.320
   20    HA   SER   5           HA       SER   5   0.024  -7.984 -11.828
   21    HB2  SER   5           1HB      SER   5   0.192  -9.926  -9.487
   22    HB3  SER   5           2HB      SER   5  -0.818 -10.110 -10.928
   23    HG   SER   5           HG       SER   5   1.143 -10.165 -12.174
   24    H    SER   6           H        SER   6  -2.212  -7.792 -11.668
   25    HA   SER   6           HA       SER   6  -3.287  -6.117  -9.568
   26    HB2  SER   6           1HB      SER   6  -4.711  -7.617 -11.799
   27    HB3  SER   6           2HB      SER   6  -5.400  -6.324 -10.796
   28    HG   SER   6           HG       SER   6  -4.610  -5.540 -12.812
   29    H    GLY   7           H        GLY   7  -5.048  -6.579  -8.148
   30    HA2  GLY   7           1HA      GLY   7  -6.235  -9.135  -7.744
   31    HA3  GLY   7           2HA      GLY   7  -4.880  -8.965  -6.626
   32    H    LYS   8           H        LYS   8  -7.079  -9.314  -5.366
   33    HA   LYS   8           HA       LYS   8  -8.651  -6.886  -4.854
   34    HB2  LYS   8           1HB      LYS   8  -8.829  -9.678  -3.653
   35    HB3  LYS   8           2HB      LYS   8  -9.982  -8.360  -3.382
   36    HG2  LYS   8           1HG      LYS   8 -10.513  -8.305  -5.788
   37    HG3  LYS   8           2HG      LYS   8  -9.405  -9.668  -6.061
   38    HD2  LYS   8           1HD      LYS   8 -10.731 -11.067  -4.489
   39    HD3  LYS   8           2HD      LYS   8 -11.854  -9.707  -4.233
   40    HE2  LYS   8           1HE      LYS   8 -12.343  -9.663  -6.650
   41    HE3  LYS   8           2HE      LYS   8 -11.221 -11.007  -6.910
   42    HZ1  LYS   8           3HZ      LYS   8 -13.703 -11.151  -5.272
   43    HZ2  LYS   8           1HZ      LYS   8 -12.667 -12.393  -5.510
   44    HZ3  LYS   8           2HZ      LYS   8 -13.524 -11.791  -6.761
   45    H    THR   9           H        THR   9  -6.014  -6.420  -4.219
   46    HA   THR   9           HA       THR   9  -6.071  -5.873  -1.299
   47    HB   THR   9           HB       THR   9  -3.618  -7.152  -2.565
   48    HG1  THR   9           1HG      THR   9  -4.263  -9.070  -1.602
   49   HG21  THR   9          3HG2      THR   9  -3.089  -7.696  -0.191
   50   HG22  THR   9          1HG2      THR   9  -4.534  -6.802   0.326
   51   HG23  THR   9          2HG2      THR   9  -3.189  -5.953  -0.470
   52    H    HIS  10           H        HIS  10  -4.929  -4.038  -0.720
   53    HA   HIS  10           HA       HIS  10  -3.989  -2.253  -2.891
   54    HB2  HIS  10           1HB      HIS  10  -4.572  -1.837   0.067
   55    HB3  HIS  10           2HB      HIS  10  -3.888  -0.610  -0.970
   56    HD1  HIS  10           1HD      HIS  10  -5.507   0.397  -2.918
   57    HD2  HIS  10           2HD      HIS  10  -7.211  -2.362  -0.239
   58    HE1  HIS  10           1HE      HIS  10  -8.026   0.600  -3.202
   59    H    LEU  11           H        LEU  11  -1.839  -1.472  -3.003
   60    HA   LEU  11           HA       LEU  11   0.195  -2.948  -1.388
   61    HB2  LEU  11           1HB      LEU  11  -0.232  -4.298  -3.281
   62    HB3  LEU  11           2HB      LEU  11  -0.252  -2.907  -4.376
   63    HG   LEU  11           HG       LEU  11   2.215  -2.610  -3.987
   64   HD11  LEU  11          1HD1      LEU  11   3.479  -4.499  -3.050
   65   HD12  LEU  11          2HD1      LEU  11   1.971  -5.340  -2.649
   66   HD13  LEU  11          3HD1      LEU  11   2.404  -3.832  -1.818
   67   HD21  LEU  11          3HD2      LEU  11   2.861  -4.511  -5.396
   68   HD22  LEU  11          1HD2      LEU  11   1.348  -3.778  -5.949
   69   HD23  LEU  11          2HD2      LEU  11   1.307  -5.310  -5.041
   70    H    CYS  12           H        CYS  12   1.908  -1.902  -0.817
   71    HA   CYS  12           HA       CYS  12   2.497   0.867  -1.520
   72    HB2  CYS  12           1HB      CYS  12   2.906  -0.083   0.716
   73    HB3  CYS  12           2HB      CYS  12   3.992  -1.279   0.016
   74    H    ASP  13           H        ASP  13   3.599   1.475  -3.287
   75    HA   ASP  13           HA       ASP  13   4.973  -0.484  -5.006
   76    HB2  ASP  13           1HB      ASP  13   3.474   1.265  -5.901
   77    HB3  ASP  13           2HB      ASP  13   4.570   2.513  -5.298
   78    H    MET  14           H        MET  14   5.863   1.363  -2.319
   79    HA   MET  14           HA       MET  14   8.603   2.001  -3.238
   80    HB2  MET  14           1HB      MET  14   7.129   2.734  -0.686
   81    HB3  MET  14           2HB      MET  14   8.684   3.346  -1.218
   82    HG2  MET  14           1HG      MET  14   7.293   5.029  -1.727
   83    HG3  MET  14           2HG      MET  14   7.469   4.245  -3.292
   84    HE1  MET  14           3HE      MET  14   5.481   6.108  -3.656
   85    HE2  MET  14           1HE      MET  14   3.901   6.036  -2.832
   86    HE3  MET  14           2HE      MET  14   5.379   6.413  -1.909
   87    H    CYS  15           H        CYS  15   7.004   0.116  -0.675
   88    HA   CYS  15           HA       CYS  15   9.551  -1.359  -0.254
   89    HB2  CYS  15           1HB      CYS  15   9.347  -1.461   2.071
   90    HB3  CYS  15           2HB      CYS  15   9.328   0.218   1.563
   91    H    GLY  16           H        GLY  16   6.404  -1.702  -1.256
   92    HA2  GLY  16           1HA      GLY  16   5.553  -3.653  -2.183
   93    HA3  GLY  16           2HA      GLY  16   6.844  -4.566  -1.426
   94    H    LYS  17           H        LYS  17   5.140  -2.780   0.911
   95    HA   LYS  17           HA       LYS  17   3.927  -5.158   2.090
   96    HB2  LYS  17           1HB      LYS  17   3.873  -2.216   2.882
   97    HB3  LYS  17           2HB      LYS  17   3.173  -3.520   3.849
   98    HG2  LYS  17           1HG      LYS  17   5.384  -4.612   4.046
   99    HG3  LYS  17           2HG      LYS  17   6.099  -3.369   3.005
  100    HD2  LYS  17           1HD      LYS  17   5.451  -1.632   4.697
  101    HD3  LYS  17           2HD      LYS  17   4.869  -2.920   5.755
  102    HE2  LYS  17           1HE      LYS  17   7.114  -2.182   6.403
  103    HE3  LYS  17           2HE      LYS  17   7.126  -3.877   5.907
  104    HZ1  LYS  17           3HZ      LYS  17   8.127  -3.269   3.841
  105    HZ2  LYS  17           1HZ      LYS  17   8.975  -2.453   4.976
  106    HZ3  LYS  17           2HZ      LYS  17   7.861  -1.681   4.037
  107    H    LYS  18           H        LYS  18   1.862  -5.696   2.386
  108    HA   LYS  18           HA       LYS  18  -0.128  -4.496   0.522
  109    HB2  LYS  18           1HB      LYS  18   0.389  -7.282   1.534
  110    HB3  LYS  18           2HB      LYS  18  -1.232  -6.836   1.014
  111    HG2  LYS  18           1HG      LYS  18  -0.497  -6.228  -1.196
  112    HG3  LYS  18           2HG      LYS  18   1.206  -6.342  -0.733
  113    HD2  LYS  18           1HD      LYS  18   0.952  -8.772  -0.332
  114    HD3  LYS  18           2HD      LYS  18  -0.759  -8.675  -0.810
  115    HE2  LYS  18           1HE      LYS  18  -0.080  -7.859  -3.059
  116    HE3  LYS  18           2HE      LYS  18   1.622  -7.930  -2.577
  117    HZ1  LYS  18           3HZ      LYS  18  -0.198 -10.278  -2.734
  118    HZ2  LYS  18           1HZ      LYS  18   1.374 -10.338  -2.291
  119    HZ3  LYS  18           2HZ      LYS  18   0.971  -9.917  -3.813
  120    H    PHE  19           H        PHE  19  -2.127  -4.022   1.056
  121    HA   PHE  19           HA       PHE  19  -2.999  -3.876   3.905
  122    HB2  PHE  19           1HB      PHE  19  -2.931  -1.619   1.856
  123    HB3  PHE  19           2HB      PHE  19  -3.618  -1.489   3.463
  124    HD1  PHE  19           2HD      PHE  19  -2.072  -1.806   5.500
  125    HD2  PHE  19           1HD      PHE  19  -0.575  -1.380   1.483
  126    HE1  PHE  19           2HE      PHE  19   0.177  -1.251   6.397
  127    HE2  PHE  19           1HE      PHE  19   1.672  -0.847   2.378
  128    HZ   PHE  19           HZ       PHE  19   2.057  -0.784   4.836
  129    H    LYS  20           H        LYS  20  -5.326  -3.569   4.160
  130    HA   LYS  20           HA       LYS  20  -6.859  -4.588   1.817
  131    HB2  LYS  20           1HB      LYS  20  -6.579  -5.874   4.101
  132    HB3  LYS  20           2HB      LYS  20  -7.857  -4.794   4.648
  133    HG2  LYS  20           1HG      LYS  20  -8.830  -6.864   3.912
  134    HG3  LYS  20           2HG      LYS  20  -9.288  -5.623   2.745
  135    HD2  LYS  20           1HD      LYS  20  -7.594  -6.448   1.148
  136    HD3  LYS  20           2HD      LYS  20  -6.988  -7.600   2.355
  137    HE2  LYS  20           1HE      LYS  20  -9.155  -8.766   2.347
  138    HE3  LYS  20           2HE      LYS  20  -9.821  -7.571   1.224
  139    HZ1  LYS  20           3HZ      LYS  20  -8.213  -8.290  -0.438
  140    HZ2  LYS  20           1HZ      LYS  20  -9.067  -9.588   0.074
  141    HZ3  LYS  20           2HZ      LYS  20  -7.534  -9.366   0.595
  142    H    SER  21           H        SER  21  -6.317  -1.695   2.859
  143    HA   SER  21           HA       SER  21  -8.793  -0.689   1.646
  144    HB2  SER  21           1HB      SER  21  -9.434  -0.651   3.983
  145    HB3  SER  21           2HB      SER  21  -7.929   0.172   4.426
  146    HG   SER  21           HG       SER  21  -9.814   1.567   4.172
  147    H    LYS  22           H        LYS  22  -8.552   1.215   0.597
  148    HA   LYS  22           HA       LYS  22  -5.955   2.119  -0.211
  149    HB2  LYS  22           1HB      LYS  22  -8.463   2.299  -1.227
  150    HB3  LYS  22           2HB      LYS  22  -8.364   3.901  -0.518
  151    HG2  LYS  22           1HG      LYS  22  -6.388   2.713  -2.523
  152    HG3  LYS  22           2HG      LYS  22  -7.767   3.731  -2.930
  153    HD2  LYS  22           1HD      LYS  22  -6.753   5.580  -1.545
  154    HD3  LYS  22           2HD      LYS  22  -5.298   4.564  -1.358
  155    HE2  LYS  22           1HE      LYS  22  -5.048   4.421  -3.801
  156    HE3  LYS  22           2HE      LYS  22  -6.524   5.359  -4.031
  157    HZ1  LYS  22           3HZ      LYS  22  -4.553   6.763  -4.227
  158    HZ2  LYS  22           1HZ      LYS  22  -4.062   6.388  -2.716
  159    HZ3  LYS  22           2HZ      LYS  22  -5.436   7.247  -2.946
  160    H    GLY  23           H        GLY  23  -8.181   3.248   2.318
  161    HA2  GLY  23           1HA      GLY  23  -6.787   5.696   2.974
  162    HA3  GLY  23           2HA      GLY  23  -7.909   4.812   4.012
  163    H    THR  24           H        THR  24  -6.500   2.321   4.190
  164    HA   THR  24           HA       THR  24  -4.454   2.875   6.143
  165    HB   THR  24           HB       THR  24  -4.908   0.254   4.674
  166    HG1  THR  24           1HG      THR  24  -6.160   1.225   7.032
  167   HG21  THR  24          3HG2      THR  24  -2.890   0.343   6.123
  168   HG22  THR  24          1HG2      THR  24  -4.123  -0.752   6.775
  169   HG23  THR  24          2HG2      THR  24  -3.892   0.863   7.489
  170    H    LEU  25           H        LEU  25  -4.279   1.759   2.701
  171    HA   LEU  25           HA       LEU  25  -1.434   1.738   2.533
  172    HB2  LEU  25           1HB      LEU  25  -2.799   0.653   0.875
  173    HB3  LEU  25           2HB      LEU  25  -3.670   2.139   0.526
  174    HG   LEU  25           HG       LEU  25  -1.554   3.136  -0.405
  175   HD11  LEU  25          1HD1      LEU  25  -0.477   0.310  -0.008
  176   HD12  LEU  25          2HD1      LEU  25   0.116   1.772   0.807
  177   HD13  LEU  25          3HD1      LEU  25   0.321   1.590  -0.933
  178   HD21  LEU  25          3HD2      LEU  25  -1.654   2.016  -2.488
  179   HD22  LEU  25          1HD2      LEU  25  -3.287   1.952  -1.787
  180   HD23  LEU  25          2HD2      LEU  25  -2.225   0.520  -1.744
  181    H    LYS  26           H        LYS  26  -3.772   4.436   1.943
  182    HA   LYS  26           HA       LYS  26  -1.861   6.397   1.169
  183    HB2  LYS  26           1HB      LYS  26  -4.293   6.660   0.899
  184    HB3  LYS  26           2HB      LYS  26  -4.510   6.698   2.653
  185    HG2  LYS  26           1HG      LYS  26  -3.132   8.779   2.773
  186    HG3  LYS  26           2HG      LYS  26  -2.906   8.708   1.022
  187    HD2  LYS  26           1HD      LYS  26  -4.623  10.316   1.461
  188    HD3  LYS  26           2HD      LYS  26  -5.418   8.899   0.754
  189    HE2  LYS  26           1HE      LYS  26  -6.104   8.153   3.022
  190    HE3  LYS  26           2HE      LYS  26  -5.253   9.525   3.742
  191    HZ1  LYS  26           3HZ      LYS  26  -6.781  11.011   2.559
  192    HZ2  LYS  26           1HZ      LYS  26  -7.626   9.984   3.502
  193    HZ3  LYS  26           2HZ      LYS  26  -7.569   9.747   1.888
  194    H    SER  27           H        SER  27  -3.121   5.677   4.439
  195    HA   SER  27           HA       SER  27  -1.542   7.481   5.931
  196    HB2  SER  27           1HB      SER  27  -3.474   6.087   6.729
  197    HB3  SER  27           2HB      SER  27  -2.390   4.682   6.769
  198    HG   SER  27           HG       SER  27  -2.573   5.774   8.809
  199    H    HIS  28           H        HIS  28  -0.621   4.423   4.462
  200    HA   HIS  28           HA       HIS  28   2.001   4.308   5.804
  201    HB2  HIS  28           1HB      HIS  28   0.811   2.244   5.396
  202    HB3  HIS  28           2HB      HIS  28   0.690   2.586   3.672
  203    HD1  HIS  28           1HD      HIS  28   3.381   1.687   6.290
  204    HD2  HIS  28           2HD      HIS  28   2.750   2.015   2.144
  205    HE1  HIS  28           1HE      HIS  28   5.465   0.734   5.196
  206    H    LYS  29           H        LYS  29   0.791   5.076   2.490
  207    HA   LYS  29           HA       LYS  29   3.375   5.547   1.329
  208    HB2  LYS  29           1HB      LYS  29   0.549   6.354   0.595
  209    HB3  LYS  29           2HB      LYS  29   1.942   6.978  -0.304
  210    HG2  LYS  29           1HG      LYS  29   2.734   4.655  -0.708
  211    HG3  LYS  29           2HG      LYS  29   1.276   4.024   0.075
  212    HD2  LYS  29           1HD      LYS  29  -0.145   5.005  -1.639
  213    HD3  LYS  29           2HD      LYS  29   1.220   5.909  -2.322
  214    HE2  LYS  29           1HE      LYS  29   2.358   3.770  -2.888
  215    HE3  LYS  29           2HE      LYS  29   0.958   2.875  -2.289
  216    HZ1  LYS  29           3HZ      LYS  29  -0.390   4.003  -4.006
  217    HZ2  LYS  29           1HZ      LYS  29   0.826   3.157  -4.688
  218    HZ3  LYS  29           2HZ      LYS  29   0.931   4.781  -4.571
  219    H    LEU  30           H        LEU  30   1.325   7.720   3.216
  220    HA   LEU  30           HA       LEU  30   2.795  10.132   2.849
  221    HB2  LEU  30           1HB      LEU  30   1.290   8.963   5.219
  222    HB3  LEU  30           2HB      LEU  30   1.968  10.584   5.253
  223    HG   LEU  30           HG       LEU  30  -0.066   9.691   3.165
  224   HD11  LEU  30          1HD1      LEU  30  -0.980   9.596   5.455
  225   HD12  LEU  30          2HD1      LEU  30  -1.703  10.917   4.518
  226   HD13  LEU  30          3HD1      LEU  30  -0.453  11.267   5.740
  227   HD21  LEU  30          3HD2      LEU  30   0.960  12.438   3.990
  228   HD22  LEU  30          1HD2      LEU  30  -0.374  12.128   2.854
  229   HD23  LEU  30          2HD2      LEU  30   1.266  11.619   2.443
  230    H    LEU  31           H        LEU  31   3.746   7.264   4.597
  231    HA   LEU  31           HA       LEU  31   5.956   8.533   6.042
  232    HB2  LEU  31           1HB      LEU  31   5.579   5.582   5.438
  233    HB3  LEU  31           2HB      LEU  31   6.585   6.296   6.681
  234    HG   LEU  31           HG       LEU  31   3.534   6.380   6.636
  235   HD11  LEU  31          1HD1      LEU  31   4.455   4.135   7.050
  236   HD12  LEU  31          2HD1      LEU  31   3.684   4.803   8.499
  237   HD13  LEU  31          3HD1      LEU  31   5.459   4.781   8.368
  238   HD21  LEU  31          3HD2      LEU  31   3.746   7.198   8.963
  239   HD22  LEU  31          1HD2      LEU  31   4.444   8.342   7.813
  240   HD23  LEU  31          2HD2      LEU  31   5.513   7.293   8.772
  241    H    HIS  32           H        HIS  32   5.543   7.428   2.784
  242    HA   HIS  32           HA       HIS  32   8.480   7.225   2.295
  243    HB2  HIS  32           1HB      HIS  32   6.072   6.466   0.600
  244    HB3  HIS  32           2HB      HIS  32   7.743   6.387   0.065
  245    HD1  HIS  32           1HD      HIS  32   9.356   4.610   1.545
  246    HD2  HIS  32           2HD      HIS  32   5.170   4.266   1.661
  247    HE1  HIS  32           1HE      HIS  32   8.879   2.207   2.216
  248    H    THR  33           H        THR  33   5.616   9.189   1.359
  249    HA   THR  33           HA       THR  33   6.986  10.575  -0.759
  250    HB   THR  33           HB       THR  33   5.056  12.147  -0.696
  251    HG1  THR  33           1HG      THR  33   3.372  11.705   0.657
  252   HG21  THR  33          3HG2      THR  33   4.308   9.190  -0.713
  253   HG22  THR  33          1HG2      THR  33   4.987  10.102  -2.077
  254   HG23  THR  33          2HG2      THR  33   3.384  10.517  -1.446
  255    H    ALA  34           H        ALA  34   7.585  12.742  -0.945
  256    HA   ALA  34           HA       ALA  34   8.719  13.917   1.551
  257    HB1  ALA  34           1HB      ALA  34   9.773  13.982  -1.302
  258    HB2  ALA  34           2HB      ALA  34  10.580  14.630   0.142
  259    HB3  ALA  34           3HB      ALA  34  10.326  12.884  -0.015
  260    H    ASP  35           H        ASP  35   6.092  14.554  -0.138
  261    HA   ASP  35           HA       ASP  35   6.289  17.495   0.151
  262    HB2  ASP  35           1HB      ASP  35   6.887  17.001  -2.200
  263    HB3  ASP  35           2HB      ASP  35   5.394  16.082  -2.394
  264    H    GLY  36           H        GLY  36   4.333  18.519   0.558
  265    HA2  GLY  36           1HA      GLY  36   1.715  17.374   0.454
  266    HA3  GLY  36           2HA      GLY  36   2.376  17.148   2.073
  Start of MODEL   19
    1    H1   GLY   1           1H       GLY   1   3.296 -11.738   2.658
    2    H2   GLY   1           2H       GLY   1   4.316 -11.062   1.568
    3    H3   GLY   1           3H       GLY   1   4.825 -12.304   2.510
    4    HA2  GLY   1           1HA      GLY   1   4.406 -13.107   0.292
    5    HA3  GLY   1           2HA      GLY   1   3.277 -13.820   1.458
    6    H    SER   2           H        SER   2   1.537 -14.159   0.122
    7    HA   SER   2           HA       SER   2  -0.110 -11.850  -0.608
    8    HB2  SER   2           1HB      SER   2   1.394 -12.205  -2.610
    9    HB3  SER   2           2HB      SER   2   0.724 -13.839  -2.763
   10    HG   SER   2           HG       SER   2  -0.375 -12.350  -4.086
   11    H    SER   3           H        SER   3  -2.300 -12.503  -1.160
   12    HA   SER   3           HA       SER   3  -3.235 -15.002   0.080
   13    HB2  SER   3           1HB      SER   3  -4.766 -12.765  -1.293
   14    HB3  SER   3           2HB      SER   3  -5.482 -14.132  -0.415
   15    HG   SER   3           HG       SER   3  -5.285 -12.250   0.899
   16    H    GLY   4           H        GLY   4  -1.667 -15.922  -1.733
   17    HA2  GLY   4           1HA      GLY   4  -1.325 -17.143  -3.643
   18    HA3  GLY   4           2HA      GLY   4  -3.071 -17.418  -3.703
   19    H    SER   5           H        SER   5  -2.041 -14.102  -3.827
   20    HA   SER   5           HA       SER   5  -2.639 -12.468  -5.238
   21    HB2  SER   5           1HB      SER   5  -1.302 -14.228  -7.308
   22    HB3  SER   5           2HB      SER   5  -1.654 -12.496  -7.482
   23    HG   SER   5           HG       SER   5   0.493 -12.897  -6.736
   24    H    SER   6           H        SER   6  -4.660 -14.568  -4.817
   25    HA   SER   6           HA       SER   6  -6.315 -14.404  -7.297
   26    HB2  SER   6           1HB      SER   6  -5.808 -16.609  -6.237
   27    HB3  SER   6           2HB      SER   6  -6.725 -16.102  -4.811
   28    HG   SER   6           HG       SER   6  -8.589 -16.000  -6.081
   29    H    GLY   7           H        GLY   7  -6.446 -13.654  -3.797
   30    HA2  GLY   7           1HA      GLY   7  -9.007 -12.216  -3.982
   31    HA3  GLY   7           2HA      GLY   7  -7.932 -12.295  -2.588
   32    H    LYS   8           H        LYS   8  -9.252  -9.944  -3.686
   33    HA   LYS   8           HA       LYS   8  -7.118  -8.284  -4.870
   34    HB2  LYS   8           1HB      LYS   8  -9.504  -8.059  -5.572
   35    HB3  LYS   8           2HB      LYS   8  -9.904  -7.458  -3.954
   36    HG2  LYS   8           1HG      LYS   8  -8.429  -5.545  -4.248
   37    HG3  LYS   8           2HG      LYS   8  -7.900  -6.154  -5.836
   38    HD2  LYS   8           1HD      LYS   8 -10.132  -5.876  -6.766
   39    HD3  LYS   8           2HD      LYS   8 -10.822  -5.606  -5.159
   40    HE2  LYS   8           1HE      LYS   8 -10.696  -3.480  -6.152
   41    HE3  LYS   8           2HE      LYS   8  -9.442  -3.574  -4.906
   42    HZ1  LYS   8           3HZ      LYS   8  -7.805  -3.947  -6.689
   43    HZ2  LYS   8           1HZ      LYS   8  -8.612  -2.561  -6.979
   44    HZ3  LYS   8           2HZ      LYS   8  -8.974  -3.900  -7.833
   45    H    THR   9           H        THR   9  -5.801  -6.970  -3.829
   46    HA   THR   9           HA       THR   9  -6.225  -6.130  -1.012
   47    HB   THR   9           HB       THR   9  -3.630  -7.469  -1.880
   48    HG1  THR   9           1HG      THR   9  -5.792  -8.591  -0.424
   49   HG21  THR   9          3HG2      THR   9  -3.317  -7.724   0.589
   50   HG22  THR   9          1HG2      THR   9  -4.783  -6.756   0.853
   51   HG23  THR   9          2HG2      THR   9  -3.358  -6.035   0.068
   52    H    HIS  10           H        HIS  10  -5.046  -4.207  -0.485
   53    HA   HIS  10           HA       HIS  10  -4.096  -2.645  -2.809
   54    HB2  HIS  10           1HB      HIS  10  -4.556  -1.961   0.114
   55    HB3  HIS  10           2HB      HIS  10  -3.822  -0.859  -1.037
   56    HD1  HIS  10           1HD      HIS  10  -5.421   0.308  -2.807
   57    HD2  HIS  10           2HD      HIS  10  -7.223  -2.610  -0.370
   58    HE1  HIS  10           1HE      HIS  10  -7.929   0.508  -3.192
   59    H    LEU  11           H        LEU  11  -1.964  -2.006  -3.149
   60    HA   LEU  11           HA       LEU  11   0.145  -3.248  -1.438
   61    HB2  LEU  11           1HB      LEU  11  -0.247  -4.831  -3.127
   62    HB3  LEU  11           2HB      LEU  11  -0.397  -3.598  -4.388
   63    HG   LEU  11           HG       LEU  11   2.063  -3.136  -4.183
   64   HD11  LEU  11          1HD1      LEU  11   2.022  -5.624  -2.422
   65   HD12  LEU  11          2HD1      LEU  11   2.443  -3.987  -1.880
   66   HD13  LEU  11          3HD1      LEU  11   3.471  -4.814  -3.051
   67   HD21  LEU  11          3HD2      LEU  11   1.169  -4.654  -5.901
   68   HD22  LEU  11          1HD2      LEU  11   1.284  -6.021  -4.770
   69   HD23  LEU  11          2HD2      LEU  11   2.756  -5.194  -5.333
   70    H    CYS  12           H        CYS  12   1.816  -2.062  -1.025
   71    HA   CYS  12           HA       CYS  12   2.229   0.613  -2.129
   72    HB2  CYS  12           1HB      CYS  12   2.566  -0.171   0.278
   73    HB3  CYS  12           2HB      CYS  12   3.980  -1.057  -0.290
   74    H    ASP  13           H        ASP  13   3.203   0.864  -4.087
   75    HA   ASP  13           HA       ASP  13   4.972  -1.148  -5.252
   76    HB2  ASP  13           1HB      ASP  13   5.096   0.367  -7.134
   77    HB3  ASP  13           2HB      ASP  13   3.426   0.152  -6.630
   78    H    MET  14           H        MET  14   5.495   1.150  -2.872
   79    HA   MET  14           HA       MET  14   8.193   1.995  -3.738
   80    HB2  MET  14           1HB      MET  14   6.553   2.694  -1.282
   81    HB3  MET  14           2HB      MET  14   8.083   3.413  -1.739
   82    HG2  MET  14           1HG      MET  14   7.075   4.256  -3.825
   83    HG3  MET  14           2HG      MET  14   5.525   3.531  -3.384
   84    HE1  MET  14           3HE      MET  14   4.319   5.811  -3.801
   85    HE2  MET  14           1HE      MET  14   4.787   7.345  -3.033
   86    HE3  MET  14           2HE      MET  14   5.870   6.577  -4.219
   87    H    CYS  15           H        CYS  15   6.737   0.016  -1.175
   88    HA   CYS  15           HA       CYS  15   9.431  -1.071  -0.487
   89    HB2  CYS  15           1HB      CYS  15   8.835  -1.183   1.830
   90    HB3  CYS  15           2HB      CYS  15   8.792   0.471   1.223
   91    H    GLY  16           H        GLY  16   6.205  -1.824  -1.424
   92    HA2  GLY  16           1HA      GLY  16   5.561  -3.918  -2.282
   93    HA3  GLY  16           2HA      GLY  16   6.874  -4.702  -1.423
   94    H    LYS  17           H        LYS  17   5.229  -2.771   0.802
   95    HA   LYS  17           HA       LYS  17   3.976  -5.042   2.131
   96    HB2  LYS  17           1HB      LYS  17   3.965  -2.046   2.699
   97    HB3  LYS  17           2HB      LYS  17   3.184  -3.246   3.732
   98    HG2  LYS  17           1HG      LYS  17   5.378  -4.411   4.022
   99    HG3  LYS  17           2HG      LYS  17   6.158  -3.151   3.049
  100    HD2  LYS  17           1HD      LYS  17   5.457  -1.437   4.706
  101    HD3  LYS  17           2HD      LYS  17   4.698  -2.712   5.690
  102    HE2  LYS  17           1HE      LYS  17   6.914  -3.861   5.856
  103    HE3  LYS  17           2HE      LYS  17   7.650  -2.557   4.917
  104    HZ1  LYS  17           3HZ      LYS  17   7.044  -1.014   6.704
  105    HZ2  LYS  17           1HZ      LYS  17   7.955  -2.226   7.307
  106    HZ3  LYS  17           2HZ      LYS  17   6.345  -2.215   7.568
  107    H    LYS  18           H        LYS  18   1.949  -5.611   2.421
  108    HA   LYS  18           HA       LYS  18  -0.115  -4.474   0.611
  109    HB2  LYS  18           1HB      LYS  18   0.333  -7.192   1.852
  110    HB3  LYS  18           2HB      LYS  18  -1.241  -6.721   1.229
  111    HG2  LYS  18           1HG      LYS  18  -0.347  -6.317  -1.000
  112    HG3  LYS  18           2HG      LYS  18   1.303  -6.618  -0.437
  113    HD2  LYS  18           1HD      LYS  18   0.585  -8.955   0.224
  114    HD3  LYS  18           2HD      LYS  18  -1.004  -8.612  -0.473
  115    HE2  LYS  18           1HE      LYS  18   0.087  -9.776  -2.187
  116    HE3  LYS  18           2HE      LYS  18   0.217  -8.085  -2.678
  117    HZ1  LYS  18           3HZ      LYS  18   2.330  -9.687  -1.325
  118    HZ2  LYS  18           1HZ      LYS  18   2.506  -8.109  -1.736
  119    HZ3  LYS  18           2HZ      LYS  18   2.344  -9.245  -2.901
  120    H    PHE  19           H        PHE  19  -2.102  -3.948   1.222
  121    HA   PHE  19           HA       PHE  19  -2.753  -3.609   4.115
  122    HB2  PHE  19           1HB      PHE  19  -2.808  -1.491   1.929
  123    HB3  PHE  19           2HB      PHE  19  -3.411  -1.260   3.559
  124    HD1  PHE  19           2HD      PHE  19  -1.788  -1.491   5.539
  125    HD2  PHE  19           1HD      PHE  19  -0.455  -1.316   1.446
  126    HE1  PHE  19           2HE      PHE  19   0.509  -0.956   6.311
  127    HE2  PHE  19           1HE      PHE  19   1.842  -0.812   2.221
  128    HZ   PHE  19           HZ       PHE  19   2.333  -0.631   4.652
  129    H    LYS  20           H        LYS  20  -4.961  -3.182   4.602
  130    HA   LYS  20           HA       LYS  20  -6.789  -4.872   3.127
  131    HB2  LYS  20           1HB      LYS  20  -7.459  -2.903   5.365
  132    HB3  LYS  20           2HB      LYS  20  -8.393  -4.313   4.852
  133    HG2  LYS  20           1HG      LYS  20  -6.419  -5.753   5.537
  134    HG3  LYS  20           2HG      LYS  20  -5.696  -4.280   6.235
  135    HD2  LYS  20           1HD      LYS  20  -7.659  -4.005   7.717
  136    HD3  LYS  20           2HD      LYS  20  -8.390  -5.473   7.026
  137    HE2  LYS  20           1HE      LYS  20  -6.431  -6.802   7.793
  138    HE3  LYS  20           2HE      LYS  20  -5.713  -5.346   8.492
  139    HZ1  LYS  20           3HZ      LYS  20  -7.639  -5.194   9.983
  140    HZ2  LYS  20           1HZ      LYS  20  -6.902  -6.637  10.169
  141    HZ3  LYS  20           2HZ      LYS  20  -8.301  -6.543   9.336
  142    H    SER  21           H        SER  21  -6.270  -1.426   3.138
  143    HA   SER  21           HA       SER  21  -8.537  -0.914   1.282
  144    HB2  SER  21           1HB      SER  21  -9.431  -0.798   3.560
  145    HB3  SER  21           2HB      SER  21  -8.143   0.301   4.044
  146    HG   SER  21           HG       SER  21 -10.178   1.345   3.474
  147    H    LYS  22           H        LYS  22  -8.471   1.140   0.281
  148    HA   LYS  22           HA       LYS  22  -5.900   2.144  -0.468
  149    HB2  LYS  22           1HB      LYS  22  -8.255   2.303  -1.654
  150    HB3  LYS  22           2HB      LYS  22  -8.439   3.782  -0.704
  151    HG2  LYS  22           1HG      LYS  22  -6.221   4.563  -1.672
  152    HG3  LYS  22           2HG      LYS  22  -6.237   3.145  -2.722
  153    HD2  LYS  22           1HD      LYS  22  -8.346   5.353  -2.663
  154    HD3  LYS  22           2HD      LYS  22  -7.041   5.205  -3.846
  155    HE2  LYS  22           1HE      LYS  22  -7.955   3.009  -4.584
  156    HE3  LYS  22           2HE      LYS  22  -9.284   3.177  -3.426
  157    HZ1  LYS  22           3HZ      LYS  22  -8.759   5.027  -5.692
  158    HZ2  LYS  22           1HZ      LYS  22  -9.983   5.184  -4.620
  159    HZ3  LYS  22           2HZ      LYS  22  -9.947   3.912  -5.640
  160    H    GLY  23           H        GLY  23  -8.211   3.241   1.999
  161    HA2  GLY  23           1HA      GLY  23  -6.886   5.690   2.736
  162    HA3  GLY  23           2HA      GLY  23  -7.997   4.748   3.741
  163    H    THR  24           H        THR  24  -6.518   2.310   3.895
  164    HA   THR  24           HA       THR  24  -4.559   2.874   5.928
  165    HB   THR  24           HB       THR  24  -4.840   0.274   4.391
  166    HG1  THR  24           1HG      THR  24  -6.360   1.142   6.620
  167   HG21  THR  24          3HG2      THR  24  -4.199  -0.749   6.518
  168   HG22  THR  24          1HG2      THR  24  -4.137   0.849   7.303
  169   HG23  THR  24          2HG2      THR  24  -2.972   0.436   6.030
  170    H    LEU  25           H        LEU  25  -4.238   1.758   2.507
  171    HA   LEU  25           HA       LEU  25  -1.391   1.753   2.407
  172    HB2  LEU  25           1HB      LEU  25  -2.721   0.640   0.737
  173    HB3  LEU  25           2HB      LEU  25  -3.588   2.119   0.351
  174    HG   LEU  25           HG       LEU  25  -1.481   3.105  -0.583
  175   HD11  LEU  25          1HD1      LEU  25  -0.359   0.304  -0.155
  176   HD12  LEU  25          2HD1      LEU  25   0.194   1.774   0.677
  177   HD13  LEU  25          3HD1      LEU  25   0.420   1.608  -1.066
  178   HD21  LEU  25          3HD2      LEU  25  -2.189   0.433  -1.821
  179   HD22  LEU  25          1HD2      LEU  25  -1.503   1.852  -2.630
  180   HD23  LEU  25          2HD2      LEU  25  -3.154   1.924  -1.983
  181    H    LYS  26           H        LYS  26  -3.728   4.407   1.693
  182    HA   LYS  26           HA       LYS  26  -1.804   6.381   0.970
  183    HB2  LYS  26           1HB      LYS  26  -4.195   6.575   0.504
  184    HB3  LYS  26           2HB      LYS  26  -4.565   6.677   2.232
  185    HG2  LYS  26           1HG      LYS  26  -3.243   8.755   2.422
  186    HG3  LYS  26           2HG      LYS  26  -2.816   8.666   0.710
  187    HD2  LYS  26           1HD      LYS  26  -5.646   8.960   1.818
  188    HD3  LYS  26           2HD      LYS  26  -4.637  10.289   1.225
  189    HE2  LYS  26           1HE      LYS  26  -4.538   9.194  -1.021
  190    HE3  LYS  26           2HE      LYS  26  -5.618   7.921  -0.434
  191    HZ1  LYS  26           3HZ      LYS  26  -7.308   9.638  -0.032
  192    HZ2  LYS  26           1HZ      LYS  26  -6.850   9.660  -1.598
  193    HZ3  LYS  26           2HZ      LYS  26  -6.309  10.810  -0.578
  194    H    SER  27           H        SER  27  -3.272   5.718   4.174
  195    HA   SER  27           HA       SER  27  -1.810   7.645   5.668
  196    HB2  SER  27           1HB      SER  27  -2.855   4.930   6.575
  197    HB3  SER  27           2HB      SER  27  -2.341   6.255   7.633
  198    HG   SER  27           HG       SER  27  -4.552   6.164   5.855
  199    H    HIS  28           H        HIS  28  -0.807   4.510   4.469
  200    HA   HIS  28           HA       HIS  28   1.708   4.435   6.000
  201    HB2  HIS  28           1HB      HIS  28   0.784   2.320   5.515
  202    HB3  HIS  28           2HB      HIS  28   0.450   2.729   3.839
  203    HD1  HIS  28           1HD      HIS  28   3.529   1.989   6.061
  204    HD2  HIS  28           2HD      HIS  28   2.295   2.275   2.052
  205    HE1  HIS  28           1HE      HIS  28   5.502   1.197   4.673
  206    H    LYS  29           H        LYS  29   0.774   5.146   2.582
  207    HA   LYS  29           HA       LYS  29   3.422   5.633   1.666
  208    HB2  LYS  29           1HB      LYS  29   0.660   6.301   0.640
  209    HB3  LYS  29           2HB      LYS  29   2.076   7.028  -0.132
  210    HG2  LYS  29           1HG      LYS  29   3.089   4.795  -0.445
  211    HG3  LYS  29           2HG      LYS  29   1.642   4.030   0.237
  212    HD2  LYS  29           1HD      LYS  29   0.281   4.778  -1.606
  213    HD3  LYS  29           2HD      LYS  29   1.541   5.902  -2.165
  214    HE2  LYS  29           1HE      LYS  29   3.056   3.992  -2.617
  215    HE3  LYS  29           2HE      LYS  29   1.794   2.859  -2.139
  216    HZ1  LYS  29           3HZ      LYS  29   1.988   3.289  -4.585
  217    HZ2  LYS  29           1HZ      LYS  29   1.492   4.818  -4.359
  218    HZ3  LYS  29           2HZ      LYS  29   0.471   3.585  -4.014
  219    H    LEU  30           H        LEU  30   1.337   7.827   3.424
  220    HA   LEU  30           HA       LEU  30   2.746  10.263   3.007
  221    HB2  LEU  30           1HB      LEU  30   1.418   9.090   5.485
  222    HB3  LEU  30           2HB      LEU  30   2.036  10.735   5.420
  223    HG   LEU  30           HG       LEU  30  -0.145   9.674   3.577
  224   HD11  LEU  30          1HD1      LEU  30  -0.831   9.767   5.957
  225   HD12  LEU  30          2HD1      LEU  30  -1.674  10.977   4.973
  226   HD13  LEU  30          3HD1      LEU  30  -0.328  11.469   6.028
  227   HD21  LEU  30          3HD2      LEU  30  -0.544  12.082   3.115
  228   HD22  LEU  30          1HD2      LEU  30   1.043  11.551   2.553
  229   HD23  LEU  30          2HD2      LEU  30   0.909  12.491   4.058
  230    H    LEU  31           H        LEU  31   3.780   7.409   4.799
  231    HA   LEU  31           HA       LEU  31   5.969   8.740   6.194
  232    HB2  LEU  31           1HB      LEU  31   5.510   5.773   5.729
  233    HB3  LEU  31           2HB      LEU  31   6.566   6.500   6.927
  234    HG   LEU  31           HG       LEU  31   3.516   6.717   6.913
  235   HD11  LEU  31          1HD1      LEU  31   5.401   5.134   8.704
  236   HD12  LEU  31          2HD1      LEU  31   4.346   4.461   7.441
  237   HD13  LEU  31          3HD1      LEU  31   3.632   5.241   8.862
  238   HD21  LEU  31          3HD2      LEU  31   5.564   7.665   8.967
  239   HD22  LEU  31          1HD2      LEU  31   3.800   7.644   9.194
  240   HD23  LEU  31          2HD2      LEU  31   4.512   8.701   7.971
  241    H    HIS  32           H        HIS  32   5.648   7.559   2.958
  242    HA   HIS  32           HA       HIS  32   8.560   7.172   2.569
  243    HB2  HIS  32           1HB      HIS  32   6.173   6.908   0.708
  244    HB3  HIS  32           2HB      HIS  32   7.839   6.681   0.206
  245    HD1  HIS  32           1HD      HIS  32   9.108   4.717   2.097
  246    HD2  HIS  32           2HD      HIS  32   5.141   4.548   0.749
  247    HE1  HIS  32           1HE      HIS  32   8.445   2.270   2.209
  248    H    THR  33           H        THR  33   6.625   9.905   2.726
  249    HA   THR  33           HA       THR  33   8.319  11.424   0.797
  250    HB   THR  33           HB       THR  33   6.229  10.675  -0.305
  251    HG1  THR  33           1HG      THR  33   5.835  12.689  -1.180
  252   HG21  THR  33          3HG2      THR  33   4.109  11.775   0.192
  253   HG22  THR  33          1HG2      THR  33   4.821  12.612   1.588
  254   HG23  THR  33          2HG2      THR  33   4.644  10.842   1.595
  255    H    ALA  34           H        ALA  34   7.871  13.812   0.935
  256    HA   ALA  34           HA       ALA  34   8.207  14.651   3.761
  257    HB1  ALA  34           1HB      ALA  34   8.773  16.107   1.146
  258    HB2  ALA  34           2HB      ALA  34   9.203  16.667   2.774
  259    HB3  ALA  34           3HB      ALA  34   9.963  15.208   2.116
  260    H    ASP  35           H        ASP  35   7.317  16.796   4.395
  261    HA   ASP  35           HA       ASP  35   4.446  16.921   3.994
  262    HB2  ASP  35           1HB      ASP  35   6.389  18.742   5.469
  263    HB3  ASP  35           2HB      ASP  35   4.635  18.898   5.524
  264    H    GLY  36           H        GLY  36   7.056  18.397   2.291
  265    HA2  GLY  36           1HA      GLY  36   5.389  19.731   0.371
  266    HA3  GLY  36           2HA      GLY  36   6.066  20.915   1.492
  Start of MODEL   20
    1    H1   GLY   1           1H       GLY   1  -6.828 -20.457 -13.942
    2    H2   GLY   1           2H       GLY   1  -6.446 -19.106 -14.788
    3    H3   GLY   1           3H       GLY   1  -8.009 -19.579 -14.665
    4    HA2  GLY   1           1HA      GLY   1  -8.009 -19.188 -12.286
    5    HA3  GLY   1           2HA      GLY   1  -6.323 -18.657 -12.430
    6    H    SER   2           H        SER   2  -6.957 -16.617 -11.527
    7    HA   SER   2           HA       SER   2  -7.903 -14.660 -13.532
    8    HB2  SER   2           1HB      SER   2  -9.572 -13.699 -12.114
    9    HB3  SER   2           2HB      SER   2  -9.922 -15.426 -12.231
   10    HG   SER   2           HG       SER   2 -10.081 -14.767 -10.100
   11    H    SER   3           H        SER   3  -7.768 -12.366 -12.507
   12    HA   SER   3           HA       SER   3  -5.117 -11.968 -11.346
   13    HB2  SER   3           1HB      SER   3  -5.578  -9.595 -11.745
   14    HB3  SER   3           2HB      SER   3  -5.884 -10.581 -13.181
   15    HG   SER   3           HG       SER   3  -7.628  -9.252 -12.988
   16    H    GLY   4           H        GLY   4  -7.101 -13.307  -9.593
   17    HA2  GLY   4           1HA      GLY   4  -7.470 -13.276  -7.291
   18    HA3  GLY   4           2HA      GLY   4  -6.864 -11.622  -7.187
   19    H    SER   5           H        SER   5  -9.513 -12.888  -9.260
   20    HA   SER   5           HA       SER   5 -11.299 -10.738  -8.714
   21    HB2  SER   5           1HB      SER   5 -12.982 -12.123  -9.863
   22    HB3  SER   5           2HB      SER   5 -11.447 -12.054 -10.744
   23    HG   SER   5           HG       SER   5 -12.428 -14.198 -10.533
   24    H    SER   6           H        SER   6 -10.827 -13.735  -6.932
   25    HA   SER   6           HA       SER   6 -13.240 -13.691  -5.384
   26    HB2  SER   6           1HB      SER   6 -10.511 -14.816  -4.652
   27    HB3  SER   6           2HB      SER   6 -12.060 -15.230  -3.895
   28    HG   SER   6           HG       SER   6 -11.447 -16.768  -5.483
   29    H    GLY   7           H        GLY   7 -10.422 -11.649  -5.173
   30    HA2  GLY   7           1HA      GLY   7 -11.489  -9.840  -3.366
   31    HA3  GLY   7           2HA      GLY   7 -10.576 -10.961  -2.357
   32    H    LYS   8           H        LYS   8 -10.363  -8.074  -3.788
   33    HA   LYS   8           HA       LYS   8  -7.564  -8.161  -4.746
   34    HB2  LYS   8           1HB      LYS   8  -9.593  -5.892  -4.589
   35    HB3  LYS   8           2HB      LYS   8  -7.991  -5.759  -5.313
   36    HG2  LYS   8           1HG      LYS   8 -10.156  -7.637  -6.325
   37    HG3  LYS   8           2HG      LYS   8  -9.820  -6.015  -6.932
   38    HD2  LYS   8           1HD      LYS   8  -7.447  -6.744  -7.434
   39    HD3  LYS   8           2HD      LYS   8  -7.932  -8.414  -7.030
   40    HE2  LYS   8           1HE      LYS   8  -9.691  -8.347  -8.714
   41    HE3  LYS   8           2HE      LYS   8  -9.365  -6.633  -9.024
   42    HZ1  LYS   8           3HZ      LYS   8  -8.325  -8.164 -10.690
   43    HZ2  LYS   8           1HZ      LYS   8  -7.379  -8.797  -9.524
   44    HZ3  LYS   8           2HZ      LYS   8  -7.221  -7.223  -9.937
   45    H    THR   9           H        THR   9  -5.965  -6.676  -3.996
   46    HA   THR   9           HA       THR   9  -6.150  -5.861  -1.125
   47    HB   THR   9           HB       THR   9  -3.664  -7.190  -2.254
   48    HG1  THR   9           1HG      THR   9  -5.251  -8.759  -2.296
   49   HG21  THR   9          3HG2      THR   9  -4.683  -6.695   0.579
   50   HG22  THR   9          1HG2      THR   9  -3.292  -5.911  -0.207
   51   HG23  THR   9          2HG2      THR   9  -3.239  -7.640   0.165
   52    H    HIS  10           H        HIS  10  -4.956  -4.016  -0.575
   53    HA   HIS  10           HA       HIS  10  -4.008  -2.342  -2.832
   54    HB2  HIS  10           1HB      HIS  10  -4.528  -1.783   0.110
   55    HB3  HIS  10           2HB      HIS  10  -3.833  -0.617  -1.002
   56    HD1  HIS  10           1HD      HIS  10  -5.463   0.476  -2.824
   57    HD2  HIS  10           2HD      HIS  10  -7.176  -2.423  -0.299
   58    HE1  HIS  10           1HE      HIS  10  -7.981   0.650  -3.150
   59    H    LEU  11           H        LEU  11  -1.855  -1.595  -3.028
   60    HA   LEU  11           HA       LEU  11   0.203  -3.018  -1.398
   61    HB2  LEU  11           1HB      LEU  11  -0.260  -4.448  -3.218
   62    HB3  LEU  11           2HB      LEU  11  -0.309  -3.109  -4.375
   63    HG   LEU  11           HG       LEU  11   2.164  -2.802  -4.086
   64   HD11  LEU  11          1HD1      LEU  11   1.969  -5.435  -2.558
   65   HD12  LEU  11          2HD1      LEU  11   2.434  -3.874  -1.852
   66   HD13  LEU  11          3HD1      LEU  11   3.462  -4.627  -3.073
   67   HD21  LEU  11          3HD2      LEU  11   1.251  -5.582  -4.920
   68   HD22  LEU  11          1HD2      LEU  11   2.774  -4.787  -5.390
   69   HD23  LEU  11          2HD2      LEU  11   1.227  -4.122  -5.937
   70    H    CYS  12           H        CYS  12   1.930  -1.950  -0.906
   71    HA   CYS  12           HA       CYS  12   2.515   0.784  -1.751
   72    HB2  CYS  12           1HB      CYS  12   2.917  -0.102   0.538
   73    HB3  CYS  12           2HB      CYS  12   4.055  -1.276  -0.128
   74    H    ASP  13           H        ASP  13   3.523   1.230  -3.659
   75    HA   ASP  13           HA       ASP  13   5.139  -0.825  -5.025
   76    HB2  ASP  13           1HB      ASP  13   5.233   0.695  -6.889
   77    HB3  ASP  13           2HB      ASP  13   3.582   0.423  -6.359
   78    H    MET  14           H        MET  14   5.820   1.394  -2.590
   79    HA   MET  14           HA       MET  14   8.571   2.001  -3.473
   80    HB2  MET  14           1HB      MET  14   7.146   2.621  -0.866
   81    HB3  MET  14           2HB      MET  14   8.716   3.211  -1.369
   82    HG2  MET  14           1HG      MET  14   7.405   4.974  -1.756
   83    HG3  MET  14           2HG      MET  14   7.494   4.280  -3.374
   84    HE1  MET  14           3HE      MET  14   4.020   6.185  -2.664
   85    HE2  MET  14           1HE      MET  14   5.549   6.452  -1.791
   86    HE3  MET  14           2HE      MET  14   5.562   6.245  -3.554
   87    H    CYS  15           H        CYS  15   6.976   0.044  -0.927
   88    HA   CYS  15           HA       CYS  15   9.543  -1.395  -0.498
   89    HB2  CYS  15           1HB      CYS  15   9.369  -1.398   1.830
   90    HB3  CYS  15           2HB      CYS  15   9.320   0.256   1.252
   91    H    GLY  16           H        GLY  16   6.377  -1.814  -1.426
   92    HA2  GLY  16           1HA      GLY  16   5.552  -3.815  -2.264
   93    HA3  GLY  16           2HA      GLY  16   6.851  -4.679  -1.466
   94    H    LYS  17           H        LYS  17   5.141  -2.795   0.783
   95    HA   LYS  17           HA       LYS  17   3.939  -5.130   2.071
   96    HB2  LYS  17           1HB      LYS  17   3.931  -2.162   2.764
   97    HB3  LYS  17           2HB      LYS  17   3.244  -3.425   3.790
   98    HG2  LYS  17           1HG      LYS  17   5.456  -4.524   3.972
   99    HG3  LYS  17           2HG      LYS  17   6.150  -3.313   2.879
  100    HD2  LYS  17           1HD      LYS  17   5.534  -1.525   4.531
  101    HD3  LYS  17           2HD      LYS  17   4.987  -2.784   5.641
  102    HE2  LYS  17           1HE      LYS  17   7.245  -2.018   6.206
  103    HE3  LYS  17           2HE      LYS  17   7.253  -3.725   5.760
  104    HZ1  LYS  17           3HZ      LYS  17   9.067  -2.321   4.737
  105    HZ2  LYS  17           1HZ      LYS  17   7.923  -1.584   3.806
  106    HZ3  LYS  17           2HZ      LYS  17   8.194  -3.176   3.652
  107    H    LYS  18           H        LYS  18   1.868  -5.626   2.431
  108    HA   LYS  18           HA       LYS  18  -0.142  -4.449   0.574
  109    HB2  LYS  18           1HB      LYS  18   0.343  -7.220   1.657
  110    HB3  LYS  18           2HB      LYS  18  -1.261  -6.757   1.099
  111    HG2  LYS  18           1HG      LYS  18  -0.466  -6.208  -1.113
  112    HG3  LYS  18           2HG      LYS  18   1.224  -6.385  -0.616
  113    HD2  LYS  18           1HD      LYS  18   0.859  -8.787  -0.162
  114    HD3  LYS  18           2HD      LYS  18  -0.841  -8.629  -0.668
  115    HE2  LYS  18           1HE      LYS  18  -0.096  -7.896  -2.925
  116    HE3  LYS  18           2HE      LYS  18   1.594  -8.042  -2.419
  117    HZ1  LYS  18           3HZ      LYS  18   0.857 -10.022  -3.619
  118    HZ2  LYS  18           1HZ      LYS  18  -0.341 -10.297  -2.548
  119    HZ3  LYS  18           2HZ      LYS  18   1.220 -10.427  -2.081
  120    H    PHE  19           H        PHE  19  -2.142  -3.936   1.141
  121    HA   PHE  19           HA       PHE  19  -2.833  -3.666   4.030
  122    HB2  PHE  19           1HB      PHE  19  -2.846  -1.495   1.900
  123    HB3  PHE  19           2HB      PHE  19  -3.463  -1.302   3.532
  124    HD1  PHE  19           2HD      PHE  19  -1.872  -1.570   5.513
  125    HD2  PHE  19           1HD      PHE  19  -0.482  -1.348   1.442
  126    HE1  PHE  19           2HE      PHE  19   0.423  -1.068   6.324
  127    HE2  PHE  19           1HE      PHE  19   1.807  -0.866   2.253
  128    HZ   PHE  19           HZ       PHE  19   2.270  -0.736   4.694
  129    H    LYS  20           H        LYS  20  -4.968  -3.277   4.545
  130    HA   LYS  20           HA       LYS  20  -6.896  -4.784   3.010
  131    HB2  LYS  20           1HB      LYS  20  -8.370  -4.344   4.937
  132    HB3  LYS  20           2HB      LYS  20  -6.787  -4.947   5.424
  133    HG2  LYS  20           1HG      LYS  20  -6.069  -2.674   6.064
  134    HG3  LYS  20           2HG      LYS  20  -7.605  -2.002   5.485
  135    HD2  LYS  20           1HD      LYS  20  -8.844  -3.203   7.208
  136    HD3  LYS  20           2HD      LYS  20  -7.395  -4.090   7.692
  137    HE2  LYS  20           1HE      LYS  20  -7.842  -2.327   9.294
  138    HE3  LYS  20           2HE      LYS  20  -6.315  -2.028   8.463
  139    HZ1  LYS  20           3HZ      LYS  20  -8.882  -0.700   7.757
  140    HZ2  LYS  20           1HZ      LYS  20  -7.410  -0.361   7.104
  141    HZ3  LYS  20           2HZ      LYS  20  -7.712  -0.023   8.669
  142    H    SER  21           H        SER  21  -6.246  -1.386   3.076
  143    HA   SER  21           HA       SER  21  -8.596  -0.771   1.388
  144    HB2  SER  21           1HB      SER  21  -9.483  -0.563   3.660
  145    HB3  SER  21           2HB      SER  21  -8.129   0.483   4.124
  146    HG   SER  21           HG       SER  21 -10.125   1.590   3.534
  147    H    LYS  22           H        LYS  22  -8.474   1.273   0.372
  148    HA   LYS  22           HA       LYS  22  -5.867   2.196  -0.386
  149    HB2  LYS  22           1HB      LYS  22  -8.224   2.392  -1.582
  150    HB3  LYS  22           2HB      LYS  22  -8.362   3.890  -0.659
  151    HG2  LYS  22           1HG      LYS  22  -6.277   4.729  -1.686
  152    HG3  LYS  22           2HG      LYS  22  -6.026   3.182  -2.496
  153    HD2  LYS  22           1HD      LYS  22  -6.880   4.809  -4.075
  154    HD3  LYS  22           2HD      LYS  22  -8.063   3.515  -3.842
  155    HE2  LYS  22           1HE      LYS  22  -9.365   4.958  -2.310
  156    HE3  LYS  22           2HE      LYS  22  -8.153   6.241  -2.464
  157    HZ1  LYS  22           3HZ      LYS  22  -8.701   6.377  -4.837
  158    HZ2  LYS  22           1HZ      LYS  22 -10.043   6.621  -3.943
  159    HZ3  LYS  22           2HZ      LYS  22  -9.816   5.192  -4.695
  160    H    GLY  23           H        GLY  23  -8.147   3.342   2.081
  161    HA2  GLY  23           1HA      GLY  23  -6.747   5.755   2.825
  162    HA3  GLY  23           2HA      GLY  23  -7.895   4.849   3.819
  163    H    THR  24           H        THR  24  -6.495   2.354   3.935
  164    HA   THR  24           HA       THR  24  -4.516   2.853   5.983
  165    HB   THR  24           HB       THR  24  -4.987   0.245   4.493
  166    HG1  THR  24           1HG      THR  24  -6.462   1.605   6.440
  167   HG21  THR  24          3HG2      THR  24  -4.300  -0.780   6.592
  168   HG22  THR  24          1HG2      THR  24  -4.116   0.819   7.356
  169   HG23  THR  24          2HG2      THR  24  -3.032   0.331   6.040
  170    H    LEU  25           H        LEU  25  -4.257   1.782   2.536
  171    HA   LEU  25           HA       LEU  25  -1.403   1.707   2.452
  172    HB2  LEU  25           1HB      LEU  25  -2.725   0.648   0.754
  173    HB3  LEU  25           2HB      LEU  25  -3.580   2.141   0.396
  174    HG   LEU  25           HG       LEU  25  -1.442   3.127  -0.498
  175   HD11  LEU  25          1HD1      LEU  25   0.197   1.732   0.746
  176   HD12  LEU  25          2HD1      LEU  25   0.438   1.605  -0.998
  177   HD13  LEU  25          3HD1      LEU  25  -0.377   0.296  -0.129
  178   HD21  LEU  25          3HD2      LEU  25  -1.470   1.960  -2.577
  179   HD22  LEU  25          1HD2      LEU  25  -3.126   1.992  -1.937
  180   HD23  LEU  25          2HD2      LEU  25  -2.145   0.507  -1.828
  181    H    LYS  26           H        LYS  26  -3.685   4.485   1.806
  182    HA   LYS  26           HA       LYS  26  -1.707   6.385   1.090
  183    HB2  LYS  26           1HB      LYS  26  -4.043   6.679   0.612
  184    HB3  LYS  26           2HB      LYS  26  -4.490   6.502   2.311
  185    HG2  LYS  26           1HG      LYS  26  -3.382   8.585   2.891
  186    HG3  LYS  26           2HG      LYS  26  -2.826   8.799   1.216
  187    HD2  LYS  26           1HD      LYS  26  -5.091   9.078   0.413
  188    HD3  LYS  26           2HD      LYS  26  -5.779   8.523   1.966
  189    HE2  LYS  26           1HE      LYS  26  -4.752  10.383   3.135
  190    HE3  LYS  26           2HE      LYS  26  -4.006  10.962   1.638
  191    HZ1  LYS  26           3HZ      LYS  26  -6.941  10.820   2.132
  192    HZ2  LYS  26           1HZ      LYS  26  -6.253  11.350   0.748
  193    HZ3  LYS  26           2HZ      LYS  26  -6.060  12.193   2.129
  194    H    SER  27           H        SER  27  -3.080   5.581   4.301
  195    HA   SER  27           HA       SER  27  -1.553   7.430   5.838
  196    HB2  SER  27           1HB      SER  27  -2.582   4.679   6.643
  197    HB3  SER  27           2HB      SER  27  -2.017   5.943   7.746
  198    HG   SER  27           HG       SER  27  -4.289   5.984   6.033
  199    H    HIS  28           H        HIS  28  -0.590   4.359   4.425
  200    HA   HIS  28           HA       HIS  28   2.003   4.292   5.835
  201    HB2  HIS  28           1HB      HIS  28   0.944   2.187   5.379
  202    HB3  HIS  28           2HB      HIS  28   0.747   2.570   3.672
  203    HD1  HIS  28           1HD      HIS  28   3.592   1.757   6.158
  204    HD2  HIS  28           2HD      HIS  28   2.741   2.061   2.051
  205    HE1  HIS  28           1HE      HIS  28   5.645   0.869   4.958
  206    H    LYS  29           H        LYS  29   0.838   5.046   2.504
  207    HA   LYS  29           HA       LYS  29   3.418   5.579   1.395
  208    HB2  LYS  29           1HB      LYS  29   0.595   6.341   0.597
  209    HB3  LYS  29           2HB      LYS  29   2.000   6.980  -0.269
  210    HG2  LYS  29           1HG      LYS  29   2.840   4.660  -0.607
  211    HG3  LYS  29           2HG      LYS  29   1.345   4.025   0.097
  212    HD2  LYS  29           1HD      LYS  29   0.014   4.923  -1.711
  213    HD3  LYS  29           2HD      LYS  29   1.359   5.942  -2.271
  214    HE2  LYS  29           1HE      LYS  29   2.694   3.865  -2.713
  215    HE3  LYS  29           2HE      LYS  29   1.263   2.898  -2.359
  216    HZ1  LYS  29           3HZ      LYS  29   1.725   3.454  -4.759
  217    HZ2  LYS  29           1HZ      LYS  29   1.320   4.993  -4.462
  218    HZ3  LYS  29           2HZ      LYS  29   0.187   3.821  -4.278
  219    H    LEU  30           H        LEU  30   1.320   7.754   3.239
  220    HA   LEU  30           HA       LEU  30   2.796  10.161   2.838
  221    HB2  LEU  30           1HB      LEU  30   1.269   9.034   5.222
  222    HB3  LEU  30           2HB      LEU  30   1.948  10.657   5.230
  223    HG   LEU  30           HG       LEU  30  -0.070   9.725   3.144
  224   HD11  LEU  30          1HD1      LEU  30  -1.721  10.984   4.454
  225   HD12  LEU  30          2HD1      LEU  30  -0.489  11.336   5.692
  226   HD13  LEU  30          3HD1      LEU  30  -1.026   9.666   5.414
  227   HD21  LEU  30          3HD2      LEU  30   1.268  11.640   2.402
  228   HD22  LEU  30          1HD2      LEU  30   0.947  12.485   3.933
  229   HD23  LEU  30          2HD2      LEU  30  -0.376  12.157   2.788
  230    H    LEU  31           H        LEU  31   3.707   7.327   4.701
  231    HA   LEU  31           HA       LEU  31   5.857   8.634   6.181
  232    HB2  LEU  31           1HB      LEU  31   5.527   5.671   5.606
  233    HB3  LEU  31           2HB      LEU  31   6.489   6.408   6.870
  234    HG   LEU  31           HG       LEU  31   3.440   6.475   6.724
  235   HD11  LEU  31          1HD1      LEU  31   5.316   4.918   8.548
  236   HD12  LEU  31          2HD1      LEU  31   4.361   4.242   7.209
  237   HD13  LEU  31          3HD1      LEU  31   3.538   4.929   8.619
  238   HD21  LEU  31          3HD2      LEU  31   3.570   7.332   9.045
  239   HD22  LEU  31          1HD2      LEU  31   4.295   8.463   7.896
  240   HD23  LEU  31          2HD2      LEU  31   5.341   7.437   8.907
  241    H    HIS  32           H        HIS  32   5.625   7.075   3.017
  242    HA   HIS  32           HA       HIS  32   8.536   7.202   2.509
  243    HB2  HIS  32           1HB      HIS  32   6.163   6.651   0.678
  244    HB3  HIS  32           2HB      HIS  32   7.842   6.643   0.175
  245    HD1  HIS  32           1HD      HIS  32   9.420   4.672   1.443
  246    HD2  HIS  32           2HD      HIS  32   5.232   4.355   1.511
  247    HE1  HIS  32           1HE      HIS  32   8.921   2.226   1.912
  248    H    THR  33           H        THR  33   5.590   8.868   1.359
  249    HA   THR  33           HA       THR  33   7.110  10.973   0.023
  250    HB   THR  33           HB       THR  33   4.094  10.775   0.232
  251    HG1  THR  33           1HG      THR  33   4.202   9.494  -1.613
  252   HG21  THR  33          3HG2      THR  33   5.032  12.803  -0.900
  253   HG22  THR  33          1HG2      THR  33   4.195  11.745  -2.042
  254   HG23  THR  33          2HG2      THR  33   5.974  11.748  -1.973
  255    H    ALA  34           H        ALA  34   7.742  11.144   2.631
  256    HA   ALA  34           HA       ALA  34   6.030  12.756   4.253
  257    HB1  ALA  34           1HB      ALA  34   9.028  12.233   4.433
  258    HB2  ALA  34           2HB      ALA  34   7.995  12.853   5.739
  259    HB3  ALA  34           3HB      ALA  34   7.743  11.210   5.119
  260    H    ASP  35           H        ASP  35   8.039  13.696   1.633
  261    HA   ASP  35           HA       ASP  35   8.444  16.481   2.436
  262    HB2  ASP  35           1HB      ASP  35   9.513  16.691   0.287
  263    HB3  ASP  35           2HB      ASP  35  10.105  15.256   1.105
  264    H    GLY  36           H        GLY  36   5.796  14.746   1.148
  265    HA2  GLY  36           1HA      GLY  36   3.695  15.398   0.483
  266    HA3  GLY  36           2HA      GLY  36   4.097  17.036   0.986